smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCCN(c2cc(Br)ccc2C#N)[C@H](C)C1 ZINC000320915793 1095955323 /nfs/dbraw/zinc/95/53/23/1095955323.db2.gz RGXHRIQRWMLLOH-GFCCVEGCSA-N 1 1 322.250 3.241 10 30 DGEEMO CC[C@H](C#N)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000174442918 529583304 /nfs/dbraw/zinc/58/33/04/529583304.db2.gz KPOPBEFVXUKNNH-LJQANCHMSA-N 1 1 321.424 3.107 10 30 DGEEMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000092704848 185334140 /nfs/dbraw/zinc/33/41/40/185334140.db2.gz TZVHNVWULLQBCF-OAHLLOKOSA-N 1 1 317.433 3.060 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)o1 ZINC000092968649 185350536 /nfs/dbraw/zinc/35/05/36/185350536.db2.gz RSOXHMZDEVYECG-INIZCTEOSA-N 1 1 310.353 3.260 10 30 DGEEMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)o1 ZINC000092968649 185350537 /nfs/dbraw/zinc/35/05/37/185350537.db2.gz RSOXHMZDEVYECG-INIZCTEOSA-N 1 1 310.353 3.260 10 30 DGEEMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CCCO1 ZINC000127996912 530014737 /nfs/dbraw/zinc/01/47/37/530014737.db2.gz YLVKVZCJJCTEPQ-SFHVURJKSA-N 1 1 324.428 3.075 10 30 DGEEMO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1cccc(N2CCCC2=O)c1 ZINC000174308780 198318173 /nfs/dbraw/zinc/31/81/73/198318173.db2.gz ZBALKOBFPREHCR-ZDUSSCGKSA-N 1 1 309.369 3.129 10 30 DGEEMO N#C[C@@H]1CC[C@H]([NH+]2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)C1 ZINC000328740332 283058757 /nfs/dbraw/zinc/05/87/57/283058757.db2.gz IJCUXGKOTBIVHA-PWSUYJOCSA-N 1 1 312.339 3.300 10 30 DGEEMO N#Cc1c(N)sc2c1CCN(c1cc[nH+]c3ccsc31)C2 ZINC000301528536 283078524 /nfs/dbraw/zinc/07/85/24/283078524.db2.gz OHNSBGMAMGDQGL-UHFFFAOYSA-N 1 1 312.423 3.374 10 30 DGEEMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)ccc1F ZINC000281398197 283093373 /nfs/dbraw/zinc/09/33/73/283093373.db2.gz NHPQDODYGXHJOU-KBAYOESNSA-N 1 1 302.393 3.213 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)o1 ZINC000091966755 193133579 /nfs/dbraw/zinc/13/35/79/193133579.db2.gz NEMBAIQLHKSEPM-MAUKXSAKSA-N 1 1 314.360 3.378 10 30 DGEEMO C=CCC[C@H](NC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246221945 432109132 /nfs/dbraw/zinc/10/91/32/432109132.db2.gz BKUCQKVIEQWKBM-ROUUACIJSA-N 1 1 313.445 3.184 10 30 DGEEMO C=C(C)CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000455309600 242165079 /nfs/dbraw/zinc/16/50/79/242165079.db2.gz LIIGSURRBHXMJD-GOEBONIOSA-N 1 1 321.490 3.396 10 30 DGEEMO C=C(C)CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000455309608 242165384 /nfs/dbraw/zinc/16/53/84/242165384.db2.gz LIIGSURRBHXMJD-ZBFHGGJFSA-N 1 1 321.490 3.396 10 30 DGEEMO C=CC[NH+]1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459508226 243395210 /nfs/dbraw/zinc/39/52/10/243395210.db2.gz MPPLCOYRDISKEA-UHFFFAOYSA-N 1 1 319.880 3.112 10 30 DGEEMO C=CCNC(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000471374319 244212669 /nfs/dbraw/zinc/21/26/69/244212669.db2.gz LQTRQHGQPNXJCT-WBVHZDCISA-N 1 1 301.434 3.039 10 30 DGEEMO CCc1[nH+]ccn1[C@H]1CCCN(Cc2cc(F)ccc2C#N)C1 ZINC000160112652 197385992 /nfs/dbraw/zinc/38/59/92/197385992.db2.gz KAVIMKMTVGPTLG-KRWDZBQOSA-N 1 1 312.392 3.293 10 30 DGEEMO CC(C)[N@H+](CC/C(N)=N/O)Cc1ccc(Cl)cc1Cl ZINC000042529036 183281104 /nfs/dbraw/zinc/28/11/04/183281104.db2.gz SZLFXUUIXOKOLQ-UHFFFAOYSA-N 1 1 304.221 3.340 10 30 DGEEMO CC(C)[N@@H+](CC/C(N)=N/O)Cc1ccc(Cl)cc1Cl ZINC000042529036 183281106 /nfs/dbraw/zinc/28/11/06/183281106.db2.gz SZLFXUUIXOKOLQ-UHFFFAOYSA-N 1 1 304.221 3.340 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)N(CC)CC)cc1 ZINC000092509709 400178228 /nfs/dbraw/zinc/17/82/28/400178228.db2.gz QPGYLQHHCSWRIU-GOSISDBHSA-N 1 1 316.445 3.084 10 30 DGEEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H]1c1ccc(C#N)cc1 ZINC000616606416 400183067 /nfs/dbraw/zinc/18/30/67/400183067.db2.gz AOYSRXWQNAFMGL-MRXNPFEDSA-N 1 1 315.417 3.220 10 30 DGEEMO C=CCOc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000092043063 400150061 /nfs/dbraw/zinc/15/00/61/400150061.db2.gz KENZSAUTGJSPCP-MJGOQNOKSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCOc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000092043063 400150067 /nfs/dbraw/zinc/15/00/67/400150067.db2.gz KENZSAUTGJSPCP-MJGOQNOKSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCOc1cccc(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000106910758 400332589 /nfs/dbraw/zinc/33/25/89/400332589.db2.gz RAYPPEFSQBXWGS-LJQANCHMSA-N 1 1 324.424 3.363 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCCCC[C@H]2C(=O)OC)cc1 ZINC000611606431 400428379 /nfs/dbraw/zinc/42/83/79/400428379.db2.gz OTZHKTMJOOTADW-KRWDZBQOSA-N 1 1 303.402 3.169 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCCCC[C@H]2C(=O)OC)cc1 ZINC000611606431 400428380 /nfs/dbraw/zinc/42/83/80/400428380.db2.gz OTZHKTMJOOTADW-KRWDZBQOSA-N 1 1 303.402 3.169 10 30 DGEEMO C=CCCCCCN(C)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000624782900 400949817 /nfs/dbraw/zinc/94/98/17/400949817.db2.gz CBPQUJHZEMHNBF-QGZVFWFLSA-N 1 1 307.482 3.391 10 30 DGEEMO Cc1ccc(OCC[N@H+](C)CCOc2ccc(C#N)cc2)cc1 ZINC000057972164 401039940 /nfs/dbraw/zinc/03/99/40/401039940.db2.gz GDQFWVKRJKGMFI-UHFFFAOYSA-N 1 1 310.397 3.256 10 30 DGEEMO C=CCOc1ccc(C(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000620483481 401105352 /nfs/dbraw/zinc/10/53/52/401105352.db2.gz FEAPCIUHDUKODL-UHFFFAOYSA-N 1 1 316.445 3.246 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2cc(C)c(Cl)cc2OC)C1 ZINC000625699660 401184196 /nfs/dbraw/zinc/18/41/96/401184196.db2.gz CBRSIGNZKPDDBS-ZDUSSCGKSA-N 1 1 322.836 3.494 10 30 DGEEMO C=CC[C@H]1CC[N@@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000625703181 401188167 /nfs/dbraw/zinc/18/81/67/401188167.db2.gz RBIGTZJTMDIADG-XJKSGUPXSA-N 1 1 302.443 3.388 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000623855640 401588521 /nfs/dbraw/zinc/58/85/21/401588521.db2.gz DSAIXWJMDYQGFK-SJORKVTESA-N 1 1 315.461 3.115 10 30 DGEEMO C=CC[C@H]1CC[N@H+](C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000628406123 401592185 /nfs/dbraw/zinc/59/21/85/401592185.db2.gz CKQITKJUFBGYGE-GJZGRUSLSA-N 1 1 307.459 3.092 10 30 DGEEMO C=CC(C)(C)CCNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000624464696 401662584 /nfs/dbraw/zinc/66/25/84/401662584.db2.gz LEYCVZNUTBBTKP-INIZCTEOSA-N 1 1 301.434 3.075 10 30 DGEEMO C=CC(C)(C)CCNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000624464696 401662587 /nfs/dbraw/zinc/66/25/87/401662587.db2.gz LEYCVZNUTBBTKP-INIZCTEOSA-N 1 1 301.434 3.075 10 30 DGEEMO Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1C#N ZINC000192956615 165312930 /nfs/dbraw/zinc/31/29/30/165312930.db2.gz NHJYBJVBIQGDTL-KRWDZBQOSA-N 1 1 306.413 3.196 10 30 DGEEMO N#Cc1ccc(OCC[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195354369 165367662 /nfs/dbraw/zinc/36/76/62/165367662.db2.gz YOOJUQQVEFQISN-OAHLLOKOSA-N 1 1 313.426 3.273 10 30 DGEEMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246860360 432174528 /nfs/dbraw/zinc/17/45/28/432174528.db2.gz POJAHZUBKIYHHM-IRXDYDNUSA-N 1 1 305.393 3.190 10 30 DGEEMO N#Cc1cccnc1NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000302622372 230323189 /nfs/dbraw/zinc/32/31/89/230323189.db2.gz DTWQEEYZHLGAOF-UHFFFAOYSA-N 1 1 312.804 3.077 10 30 DGEEMO N#Cc1cccnc1NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000302622372 230323193 /nfs/dbraw/zinc/32/31/93/230323193.db2.gz DTWQEEYZHLGAOF-UHFFFAOYSA-N 1 1 312.804 3.077 10 30 DGEEMO CCN(Cc1ccc(C#N)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184801680 266135279 /nfs/dbraw/zinc/13/52/79/266135279.db2.gz VQTYXLQGDCEVLE-QGZVFWFLSA-N 1 1 309.413 3.248 10 30 DGEEMO C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(C#N)cc1F ZINC000358570666 267180372 /nfs/dbraw/zinc/18/03/72/267180372.db2.gz NOBUNYQHHGOURO-ZDUSSCGKSA-N 1 1 317.408 3.139 10 30 DGEEMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)C1 ZINC000328798449 279292145 /nfs/dbraw/zinc/29/21/45/279292145.db2.gz GCZHCDRHZRBOKQ-CYBMUJFWSA-N 1 1 315.417 3.355 10 30 DGEEMO N#CCC[C@@H](C#N)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000112560567 431285049 /nfs/dbraw/zinc/28/50/49/431285049.db2.gz PDOVUXIYBWQKRP-SFHVURJKSA-N 1 1 322.456 3.205 10 30 DGEEMO COc1ccccc1CC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000112560252 431286197 /nfs/dbraw/zinc/28/61/97/431286197.db2.gz ZKJOVAPZWNURLV-QGZVFWFLSA-N 1 1 311.429 3.393 10 30 DGEEMO COc1cccc([C@@H]2C[N@H+](CCCC(C)(C)C#N)CCO2)c1 ZINC000119095577 431644933 /nfs/dbraw/zinc/64/49/33/431644933.db2.gz FTSWJZCTQXLVJO-KRWDZBQOSA-N 1 1 302.418 3.398 10 30 DGEEMO COc1cccc([C@@H]2C[N@@H+](CCCC(C)(C)C#N)CCO2)c1 ZINC000119095577 431644940 /nfs/dbraw/zinc/64/49/40/431644940.db2.gz FTSWJZCTQXLVJO-KRWDZBQOSA-N 1 1 302.418 3.398 10 30 DGEEMO C=C[C@H](CC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000119212217 431662429 /nfs/dbraw/zinc/66/24/29/431662429.db2.gz JLODSMFXIKDROA-SJLPKXTDSA-N 1 1 300.446 3.289 10 30 DGEEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000122945160 431849455 /nfs/dbraw/zinc/84/94/55/431849455.db2.gz KUACCLIFGFDCPB-AWEZNQCLSA-N 1 1 300.431 3.216 10 30 DGEEMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)CCN1C ZINC000093644151 431915775 /nfs/dbraw/zinc/91/57/75/431915775.db2.gz DDVRKJJYBZJMKZ-AEFFLSMTSA-N 1 1 315.461 3.284 10 30 DGEEMO C[C@@H]1C[C@@H](N(C)Cc2cccc(OCCCC#N)c2)CC[N@@H+]1C ZINC000093644151 431915778 /nfs/dbraw/zinc/91/57/78/431915778.db2.gz DDVRKJJYBZJMKZ-AEFFLSMTSA-N 1 1 315.461 3.284 10 30 DGEEMO C[C@@H]1C[C@@H](N(C)Cc2cccc(OCCCC#N)c2)CC[N@H+]1C ZINC000093644151 431915780 /nfs/dbraw/zinc/91/57/80/431915780.db2.gz DDVRKJJYBZJMKZ-AEFFLSMTSA-N 1 1 315.461 3.284 10 30 DGEEMO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCOCC2)o1 ZINC000124770546 431904626 /nfs/dbraw/zinc/90/46/26/431904626.db2.gz XHBLAXIBSIJCID-UHFFFAOYSA-N 1 1 318.323 3.225 10 30 DGEEMO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1nncs1 ZINC000048571954 431928411 /nfs/dbraw/zinc/92/84/11/431928411.db2.gz XXFYIAPQYKVEKC-VIFPVBQESA-N 1 1 310.810 3.473 10 30 DGEEMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1nncs1 ZINC000048571954 431928413 /nfs/dbraw/zinc/92/84/13/431928413.db2.gz XXFYIAPQYKVEKC-VIFPVBQESA-N 1 1 310.810 3.473 10 30 DGEEMO CC[N@@H+](C[C@@H](O)COC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340448 431969918 /nfs/dbraw/zinc/96/99/18/431969918.db2.gz HXKSBTCRYDBXBN-WMLDXEAASA-N 1 1 304.434 3.117 10 30 DGEEMO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(C#N)CC1 ZINC000057877371 431994079 /nfs/dbraw/zinc/99/40/79/431994079.db2.gz OMEPQDCGOPPQNS-INIZCTEOSA-N 1 1 313.445 3.048 10 30 DGEEMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)COCc1ccccc1 ZINC000057950454 431994509 /nfs/dbraw/zinc/99/45/09/431994509.db2.gz PPTFDTNRQSRUPL-KRWDZBQOSA-N 1 1 317.454 3.314 10 30 DGEEMO C(#Cc1ccccc1)C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000248911640 432328845 /nfs/dbraw/zinc/32/88/45/432328845.db2.gz YDOTZKIUXLOLKY-ROUUACIJSA-N 1 1 301.455 3.025 10 30 DGEEMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC#Cc1ccccc1 ZINC000192053428 432329224 /nfs/dbraw/zinc/32/92/24/432329224.db2.gz PJRNTPADHVSYER-OPAMFIHVSA-N 1 1 311.450 3.469 10 30 DGEEMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000192053428 432329227 /nfs/dbraw/zinc/32/92/27/432329227.db2.gz PJRNTPADHVSYER-OPAMFIHVSA-N 1 1 311.450 3.469 10 30 DGEEMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192118656 432333143 /nfs/dbraw/zinc/33/31/43/432333143.db2.gz SUASVBUVCPQVIX-SFHVURJKSA-N 1 1 308.429 3.090 10 30 DGEEMO CC(C)C[C@@H](CO)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000185341408 432492094 /nfs/dbraw/zinc/49/20/94/432492094.db2.gz DKVDCGJVBGKFMS-INIZCTEOSA-N 1 1 313.363 3.396 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186213650 432569803 /nfs/dbraw/zinc/56/98/03/432569803.db2.gz YBMUUJSNDIHYHJ-MRXNPFEDSA-N 1 1 310.441 3.123 10 30 DGEEMO COc1ccc(C#N)cc1C[N@@H+](CCc1nccs1)C(C)C ZINC000159819932 432696897 /nfs/dbraw/zinc/69/68/97/432696897.db2.gz IAIBLEWFUDEHNR-UHFFFAOYSA-N 1 1 315.442 3.476 10 30 DGEEMO C=CCSc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1CCCO1 ZINC000187814940 432686699 /nfs/dbraw/zinc/68/66/99/432686699.db2.gz ZRKFMZGUCMCOJC-AWEZNQCLSA-N 1 1 320.458 3.014 10 30 DGEEMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000187814940 432686703 /nfs/dbraw/zinc/68/67/03/432686703.db2.gz ZRKFMZGUCMCOJC-AWEZNQCLSA-N 1 1 320.458 3.014 10 30 DGEEMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)o1 ZINC000267265391 432827558 /nfs/dbraw/zinc/82/75/58/432827558.db2.gz LDPSZFNYVUXFAX-KXBFYZLASA-N 1 1 309.413 3.151 10 30 DGEEMO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000245952589 432872641 /nfs/dbraw/zinc/87/26/41/432872641.db2.gz BIKXSIFBVNKFMF-YSGRDPCXSA-N 1 1 322.408 3.054 10 30 DGEEMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000245952589 432872643 /nfs/dbraw/zinc/87/26/43/432872643.db2.gz BIKXSIFBVNKFMF-YSGRDPCXSA-N 1 1 322.408 3.054 10 30 DGEEMO C=CCCC[C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000245964272 432873356 /nfs/dbraw/zinc/87/33/56/432873356.db2.gz YTVLKRUHTLAOGL-BBWFWOEESA-N 1 1 307.482 3.388 10 30 DGEEMO O=C(NC[C@@H]1CCCC[C@@H]1O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000330300484 432902927 /nfs/dbraw/zinc/90/29/27/432902927.db2.gz NFIQCYYYZXJDPN-UAGQMJEPSA-N 1 1 308.466 3.291 10 30 DGEEMO C=C(Cl)C[NH2+]Cc1cc(Br)c(O)c(OCC)c1 ZINC000297294873 432989546 /nfs/dbraw/zinc/98/95/46/432989546.db2.gz AUGDQBFWTDBSLJ-UHFFFAOYSA-N 1 1 320.614 3.396 10 30 DGEEMO N#Cc1cccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)c1 ZINC000341261274 433008996 /nfs/dbraw/zinc/00/89/96/433008996.db2.gz BGSUQZQXGDCNDY-UHFFFAOYSA-N 1 1 302.381 3.093 10 30 DGEEMO C#CCOc1ccc([C@@H](C)[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000373523296 433154447 /nfs/dbraw/zinc/15/44/47/433154447.db2.gz OYTNOKSXBWPEEH-IPJUCJBFSA-N 1 1 312.457 3.366 10 30 DGEEMO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453341768 433102324 /nfs/dbraw/zinc/10/23/24/433102324.db2.gz CUDRSCYFGHZUET-IVDHNXQLSA-N 1 1 312.457 3.115 10 30 DGEEMO N#CC1CCC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000374204623 433178607 /nfs/dbraw/zinc/17/86/07/433178607.db2.gz KLSOAONEJRRASF-OFLPRAFFSA-N 1 1 317.477 3.087 10 30 DGEEMO Cc1cc(C#N)cc(N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000342352941 433630654 /nfs/dbraw/zinc/63/06/54/433630654.db2.gz VFXPZEBLLWRMCU-QGZVFWFLSA-N 1 1 320.440 3.363 10 30 DGEEMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)c1cccc(C#N)n1 ZINC000301871657 433770168 /nfs/dbraw/zinc/77/01/68/433770168.db2.gz WWLPKWCOJNLTNV-LPHOPBHVSA-N 1 1 320.440 3.300 10 30 DGEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000301990104 433807795 /nfs/dbraw/zinc/80/77/95/433807795.db2.gz FKFOVPQTDKPQSG-AWEZNQCLSA-N 1 1 324.384 3.399 10 30 DGEEMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000449934144 433879349 /nfs/dbraw/zinc/87/93/49/433879349.db2.gz HTFGHAYTANVPFS-ZFWWWQNUSA-N 1 1 306.475 3.459 10 30 DGEEMO C=CCOc1ccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)cc1Cl ZINC000377787647 433995785 /nfs/dbraw/zinc/99/57/85/433995785.db2.gz WBOVSXDNEMSDJZ-ZDUSSCGKSA-N 1 1 317.820 3.275 10 30 DGEEMO C=CC[NH+]1CCC(NCc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000352856407 434059529 /nfs/dbraw/zinc/05/95/29/434059529.db2.gz WNABTWAZVICPJS-UHFFFAOYSA-N 1 1 323.362 3.317 10 30 DGEEMO C#CCCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000364031612 434214564 /nfs/dbraw/zinc/21/45/64/434214564.db2.gz GWEHJDZHLJPRSI-MRXNPFEDSA-N 1 1 313.445 3.023 10 30 DGEEMO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000358572480 434400301 /nfs/dbraw/zinc/40/03/01/434400301.db2.gz QBLSEBYPLDJJOQ-PIGZYNQJSA-N 1 1 302.324 3.221 10 30 DGEEMO C[C@@H](C[N@H+](C)Cc1ccccc1)NCc1ccc(C#N)c(F)c1 ZINC000404177362 434506316 /nfs/dbraw/zinc/50/63/16/434506316.db2.gz ZNPRMVVCFCBAET-HNNXBMFYSA-N 1 1 311.404 3.307 10 30 DGEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NCc1ccc(C#N)c(F)c1 ZINC000404177362 434506326 /nfs/dbraw/zinc/50/63/26/434506326.db2.gz ZNPRMVVCFCBAET-HNNXBMFYSA-N 1 1 311.404 3.307 10 30 DGEEMO C=C(C)CN(CC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000371062174 434638510 /nfs/dbraw/zinc/63/85/10/434638510.db2.gz AUNNQHAZQYTWRP-DLBZAZTESA-N 1 1 319.424 3.179 10 30 DGEEMO C=C(C)CN(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000371062174 434638516 /nfs/dbraw/zinc/63/85/16/434638516.db2.gz AUNNQHAZQYTWRP-DLBZAZTESA-N 1 1 319.424 3.179 10 30 DGEEMO C=CCn1cc(C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)nn1 ZINC000424297700 434682660 /nfs/dbraw/zinc/68/26/60/434682660.db2.gz RDTQMOUVSAAWOL-QGZVFWFLSA-N 1 1 300.381 3.153 10 30 DGEEMO C#CCCOc1ccc(C[N@H+]2CCC3(CCOCC3)[C@@H]2C)cc1 ZINC000371862119 434762735 /nfs/dbraw/zinc/76/27/35/434762735.db2.gz AYPXUGAXNLEQGU-KRWDZBQOSA-N 1 1 313.441 3.480 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000361115004 434801412 /nfs/dbraw/zinc/80/14/12/434801412.db2.gz VRTUWEORXOEDKS-QFBILLFUSA-N 1 1 317.429 3.021 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000361115004 434801416 /nfs/dbraw/zinc/80/14/16/434801416.db2.gz VRTUWEORXOEDKS-QFBILLFUSA-N 1 1 317.429 3.021 10 30 DGEEMO C=CCCC[C@@H](C)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000372465363 434831119 /nfs/dbraw/zinc/83/11/19/434831119.db2.gz PYKYSDUMMDWUSB-ZIAGYGMSSA-N 1 1 303.450 3.499 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000523583133 434954643 /nfs/dbraw/zinc/95/46/43/434954643.db2.gz WDNAWCIIHBACNF-MRXNPFEDSA-N 1 1 318.848 3.330 10 30 DGEEMO C=CCOc1ccccc1CNc1[nH+]c2cc(F)ccc2n1C ZINC000463509434 434964107 /nfs/dbraw/zinc/96/41/07/434964107.db2.gz NBSIJMVJGODWJA-UHFFFAOYSA-N 1 1 311.360 3.889 10 30 DGEEMO C=CC1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000528148387 435020515 /nfs/dbraw/zinc/02/05/15/435020515.db2.gz HNEWFHACICSXNJ-KRWDZBQOSA-N 1 1 305.466 3.001 10 30 DGEEMO C=CCNC(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000471374318 435136810 /nfs/dbraw/zinc/13/68/10/435136810.db2.gz LQTRQHGQPNXJCT-NVXWUHKLSA-N 1 1 301.434 3.039 10 30 DGEEMO CC[NH+](CC)CC1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000533000835 435204813 /nfs/dbraw/zinc/20/48/13/435204813.db2.gz IQKHQEBTABOGPB-UHFFFAOYSA-N 1 1 302.437 3.231 10 30 DGEEMO C=CCCCCC[N@H+](C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000533288874 435224457 /nfs/dbraw/zinc/22/44/57/435224457.db2.gz FQPHVKHJPAMRLA-UHFFFAOYSA-N 1 1 307.463 3.249 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000564718822 435274103 /nfs/dbraw/zinc/27/41/03/435274103.db2.gz PHNRBHZZDLXXCP-IBGZPJMESA-N 1 1 311.425 3.287 10 30 DGEEMO C[C@H]1C[C@H](CCNc2ccncc2C#N)C[N@H+]1Cc1ccccc1 ZINC000548162449 435675491 /nfs/dbraw/zinc/67/54/91/435675491.db2.gz DUNRVGSTELGRNS-WMZOPIPTSA-N 1 1 320.440 3.088 10 30 DGEEMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNc2ccncc2C#N)cc1 ZINC000548481989 435696664 /nfs/dbraw/zinc/69/66/64/435696664.db2.gz JMNXHRFHTZLHTH-MRXNPFEDSA-N 1 1 320.440 3.362 10 30 DGEEMO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1C ZINC000542834632 314102331 /nfs/dbraw/zinc/10/23/31/314102331.db2.gz SYTCTCVKXHTCNK-LLVKDONJSA-N 1 1 300.381 3.381 10 30 DGEEMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNc2ccncc2C#N)C1 ZINC000547826623 314399570 /nfs/dbraw/zinc/39/95/70/314399570.db2.gz PRXCASQUAXKETH-INIZCTEOSA-N 1 1 320.440 3.219 10 30 DGEEMO C=C(C)[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000580209559 333009750 /nfs/dbraw/zinc/00/97/50/333009750.db2.gz BFBLFURFSAFLHF-SJCJKPOMSA-N 1 1 308.372 3.040 10 30 DGEEMO N#Cc1cc(F)cc(-c2c[nH]c3[nH+]ccc(N4CCOCC4)c23)c1 ZINC000584598693 337370534 /nfs/dbraw/zinc/37/05/34/337370534.db2.gz CSNUICAIKLKJIH-UHFFFAOYSA-N 1 1 322.343 3.077 10 30 DGEEMO C=CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1ccc(C)s1 ZINC000036101679 518984414 /nfs/dbraw/zinc/98/44/14/518984414.db2.gz KEMSAFJAHRKQCP-INIZCTEOSA-N 1 1 311.491 3.468 10 30 DGEEMO C=C(CC)CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000455516943 534409442 /nfs/dbraw/zinc/40/94/42/534409442.db2.gz DELGSHYXKGQBQY-GDBMZVCRSA-N 1 1 321.490 3.396 10 30 DGEEMO C=CCC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000459054257 534598253 /nfs/dbraw/zinc/59/82/53/534598253.db2.gz SPJKFRCWGMWKFZ-HZPDHXFCSA-N 1 1 307.482 3.247 10 30 DGEEMO C=CCCC[N@H+](C)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000489422749 534714399 /nfs/dbraw/zinc/71/43/99/534714399.db2.gz MYYUMYUNYYMUFH-HNNXBMFYSA-N 1 1 310.800 3.482 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)cc1 ZINC000354564430 526867113 /nfs/dbraw/zinc/86/71/13/526867113.db2.gz KNTDELJDCNRZJE-LJQANCHMSA-N 1 1 303.446 3.482 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000348869884 526869879 /nfs/dbraw/zinc/86/98/79/526869879.db2.gz PZKKEQOCOAQZSB-UHFFFAOYSA-N 1 1 311.381 3.352 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000348869884 526869882 /nfs/dbraw/zinc/86/98/82/526869882.db2.gz PZKKEQOCOAQZSB-UHFFFAOYSA-N 1 1 311.381 3.352 10 30 DGEEMO C=C(C[NH2+]Cc1cn(-c2ccncc2)nc1C)c1ccccc1 ZINC000344129919 526881506 /nfs/dbraw/zinc/88/15/06/526881506.db2.gz VHXOBBFOIVRQIY-UHFFFAOYSA-N 1 1 304.397 3.379 10 30 DGEEMO C=CCCCN(C)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000346892950 527189411 /nfs/dbraw/zinc/18/94/11/527189411.db2.gz KLDASZQMYWWNDX-KRWDZBQOSA-N 1 1 318.436 3.462 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)N(Cc1ccc(OC)cc1)C1CC1 ZINC000346971672 527193051 /nfs/dbraw/zinc/19/30/51/527193051.db2.gz UWAKZJQKBFHSAZ-UHFFFAOYSA-N 1 1 316.445 3.084 10 30 DGEEMO C=CCCC[N@H+](C)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000339002893 527193719 /nfs/dbraw/zinc/19/37/19/527193719.db2.gz NHBLCSMKDAFUPL-RHSMWYFYSA-N 1 1 304.409 3.386 10 30 DGEEMO C=C[C@H](C)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000349415703 527566223 /nfs/dbraw/zinc/56/62/23/527566223.db2.gz RLYRUXRHDUWQQF-DZGCQCFKSA-N 1 1 301.434 3.184 10 30 DGEEMO O=C(Nc1cncnc1)[C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000329798388 546492801 /nfs/dbraw/zinc/49/28/01/546492801.db2.gz GKNATOLMPMNIBD-APWZRJJASA-N 1 1 322.412 3.367 10 30 DGEEMO C=CC[N@@H+](CC[C@H](CC)CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000437692461 546826135 /nfs/dbraw/zinc/82/61/35/546826135.db2.gz OPCMNXCFYSQDLF-CVEARBPZSA-N 1 1 301.496 3.268 10 30 DGEEMO C=CC[N@H+](CC[C@H](CC)CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000437692461 546826140 /nfs/dbraw/zinc/82/61/40/546826140.db2.gz OPCMNXCFYSQDLF-CVEARBPZSA-N 1 1 301.496 3.268 10 30 DGEEMO CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000741779158 574641604 /nfs/dbraw/zinc/64/16/04/574641604.db2.gz QOBJQAIMLDTONM-HZPDHXFCSA-N 1 1 306.450 3.121 10 30 DGEEMO Cc1ccc(N=NC2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000734364889 574657931 /nfs/dbraw/zinc/65/79/31/574657931.db2.gz JSPCHNZPNOPEOP-AWEZNQCLSA-N 1 1 309.417 3.095 10 30 DGEEMO C=CCCOCC(=O)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000734298957 574655280 /nfs/dbraw/zinc/65/52/80/574655280.db2.gz NBKOKGXKEVLLHG-GOSISDBHSA-N 1 1 317.429 3.035 10 30 DGEEMO C#CCOc1ccc(C[NH2+]Cc2ccn(C3CCCC3)n2)cc1 ZINC000129030100 625391983 /nfs/dbraw/zinc/39/19/83/625391983.db2.gz KFLXNYLMAILJQU-UHFFFAOYSA-N 1 1 309.413 3.300 10 30 DGEEMO C=CCCC[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000121093355 622129543 /nfs/dbraw/zinc/12/95/43/622129543.db2.gz WUDABCQRSOIDOW-HNNXBMFYSA-N 1 1 320.396 3.122 10 30 DGEEMO C[N@@H+](CCCOC(=O)c1cccc(C#N)c1)Cc1ccccc1 ZINC000129480153 625646716 /nfs/dbraw/zinc/64/67/16/625646716.db2.gz IYSHKTZWCOWIEI-UHFFFAOYSA-N 1 1 308.381 3.237 10 30 DGEEMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)[C@H]2C)o1 ZINC000886082500 627100439 /nfs/dbraw/zinc/10/04/39/627100439.db2.gz HTGMSIFYAXIECA-NHYWBVRUSA-N 1 1 314.364 3.157 10 30 DGEEMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C1CC(OC(C)(C)C)C1 ZINC000450985076 660470281 /nfs/dbraw/zinc/47/02/81/660470281.db2.gz ZQBBBNIXNNNIGF-UHFFFAOYSA-N 1 1 307.434 3.496 10 30 DGEEMO C=C(Br)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309921142 656104476 /nfs/dbraw/zinc/10/44/76/656104476.db2.gz QVRMZPWRBDDSEJ-HNNXBMFYSA-N 1 1 309.251 3.101 10 30 DGEEMO Cc1cccc2nc(CNC(=[NH2+])N[C@H](C)CCCC(C)C)[nH]c21 ZINC000305738390 657993290 /nfs/dbraw/zinc/99/32/90/657993290.db2.gz YXTUOPLIAXPSJC-CQSZACIVSA-N 1 1 315.465 3.490 10 30 DGEEMO C#CC[N@@H+](Cc1nc(-c2ccc(OC)cc2)no1)C1CCCC1 ZINC000155838126 661853593 /nfs/dbraw/zinc/85/35/93/661853593.db2.gz OGVWNYIXEPMNHM-UHFFFAOYSA-N 1 1 311.385 3.123 10 30 DGEEMO C#CC[N@H+](Cc1nc(-c2ccc(OC)cc2)no1)C1CCCC1 ZINC000155838126 661853594 /nfs/dbraw/zinc/85/35/94/661853594.db2.gz OGVWNYIXEPMNHM-UHFFFAOYSA-N 1 1 311.385 3.123 10 30 DGEEMO C=CCOc1ccc(CNC[C@H]2CCCC[N@H+]2CC)cc1OC ZINC000236822047 1176490546 /nfs/dbraw/zinc/49/05/46/1176490546.db2.gz UJIZJPAMPGLOQQ-QGZVFWFLSA-N 1 1 318.461 3.224 10 30 DGEEMO C=CCOc1ccc(CNC[C@H]2CCCC[N@@H+]2CC)cc1OC ZINC000236822047 1176490550 /nfs/dbraw/zinc/49/05/50/1176490550.db2.gz UJIZJPAMPGLOQQ-QGZVFWFLSA-N 1 1 318.461 3.224 10 30 DGEEMO N#Cc1cc(N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)ncn1 ZINC000709623316 1176811672 /nfs/dbraw/zinc/81/16/72/1176811672.db2.gz OPPXZGAFVAYOJG-KRWDZBQOSA-N 1 1 321.428 3.205 10 30 DGEEMO CC[C@H](C)[N@@H+](C)CCNc1cc(Br)ccc1C#N ZINC000218082472 1202547048 /nfs/dbraw/zinc/54/70/48/1202547048.db2.gz KNBYQUDIXGKIMN-NSHDSACASA-N 1 1 310.239 3.463 10 30 DGEEMO C=CCN1CCC([NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC000237792305 1202701643 /nfs/dbraw/zinc/70/16/43/1202701643.db2.gz GOAWDVGGCYGDCY-UHFFFAOYSA-N 1 1 317.452 3.166 10 30 DGEEMO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)[nH]1 ZINC000328871111 282140499 /nfs/dbraw/zinc/14/04/99/282140499.db2.gz IGXOACSHWIQVDH-UKRRQHHQSA-N 1 1 318.808 3.122 10 30 DGEEMO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)[nH]1 ZINC000328871111 282140500 /nfs/dbraw/zinc/14/05/00/282140500.db2.gz IGXOACSHWIQVDH-UKRRQHHQSA-N 1 1 318.808 3.122 10 30 DGEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000061891791 432003407 /nfs/dbraw/zinc/00/34/07/432003407.db2.gz DVGDMGZYMWPMHL-OCCSQVGLSA-N 1 1 306.793 3.283 10 30 DGEEMO C=C(Cl)CN(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915719 432019230 /nfs/dbraw/zinc/01/92/30/432019230.db2.gz OMYRPHUNXKOMNZ-GOSISDBHSA-N 1 1 322.880 3.116 10 30 DGEEMO N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)C1 ZINC000328740333 283058117 /nfs/dbraw/zinc/05/81/17/283058117.db2.gz IJCUXGKOTBIVHA-ZYHUDNBSSA-N 1 1 312.339 3.300 10 30 DGEEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000164714887 432051453 /nfs/dbraw/zinc/05/14/53/432051453.db2.gz OTEJHHABEZHKNI-ABAIWWIYSA-N 1 1 320.824 3.062 10 30 DGEEMO C=CC[N@H+](CCc1c(C)noc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000165048865 432053679 /nfs/dbraw/zinc/05/36/79/432053679.db2.gz QNZNTURLRMGQHW-UHFFFAOYSA-N 1 1 315.373 3.430 10 30 DGEEMO CC[N@H+]1CCC[C@H]1CN(C)c1cccc(Br)c1C#N ZINC000168567804 432068879 /nfs/dbraw/zinc/06/88/79/432068879.db2.gz IPMULNUKSUQUHD-LBPRGKRZSA-N 1 1 322.250 3.241 10 30 DGEEMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180882174 199223451 /nfs/dbraw/zinc/22/34/51/199223451.db2.gz AUMOUFDVQMYKIF-YOEHRIQHSA-N 1 1 321.428 3.425 10 30 DGEEMO C[N@H+]1CC[C@H](NC(=O)C2(C#N)CCCCC2)[C@@H]1c1ccccc1 ZINC000180176343 432080449 /nfs/dbraw/zinc/08/04/49/432080449.db2.gz NUNKYHZDOSAMBT-IRXDYDNUSA-N 1 1 311.429 3.022 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c(F)c1 ZINC000281216191 216160747 /nfs/dbraw/zinc/16/07/47/216160747.db2.gz KAUUKZOGGIOLET-KBAYOESNSA-N 1 1 302.393 3.213 10 30 DGEEMO C=C(C)COc1cc(C[N@@H+]2CC[C@H](CO)[C@H]2CC)ccc1OC ZINC000449424479 240194054 /nfs/dbraw/zinc/19/40/54/240194054.db2.gz PDPWAYSPEHBYAY-IAGOWNOFSA-N 1 1 319.445 3.243 10 30 DGEEMO COC(=O)c1ccc(C[N@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000091829966 193114330 /nfs/dbraw/zinc/11/43/30/193114330.db2.gz JMJNCOCQGNXUGA-UHFFFAOYSA-N 1 1 300.383 3.038 10 30 DGEEMO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000091829966 193114332 /nfs/dbraw/zinc/11/43/32/193114332.db2.gz JMJNCOCQGNXUGA-UHFFFAOYSA-N 1 1 300.383 3.038 10 30 DGEEMO C[N@@H+](CCc1ccc(F)cc1)Cc1cnc2ccc(C#N)cn12 ZINC000092150143 193168902 /nfs/dbraw/zinc/16/89/02/193168902.db2.gz JOVSPXNIRJLLIU-UHFFFAOYSA-N 1 1 308.360 3.020 10 30 DGEEMO C=CC[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000275193775 212186649 /nfs/dbraw/zinc/18/66/49/212186649.db2.gz XHJQDZMZHWDWKI-XVLXNVKGSA-N 1 1 312.457 3.478 10 30 DGEEMO C=CCC[C@H](O)C[N@H+](CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000472763479 244315549 /nfs/dbraw/zinc/31/55/49/244315549.db2.gz ARHLQLBOPXTQBQ-RLLQIKCJSA-N 1 1 316.489 3.471 10 30 DGEEMO C=CCC[C@H](O)CN(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000472763479 244315552 /nfs/dbraw/zinc/31/55/52/244315552.db2.gz ARHLQLBOPXTQBQ-RLLQIKCJSA-N 1 1 316.489 3.471 10 30 DGEEMO C=CCC[C@H](O)CN(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000472763479 244315557 /nfs/dbraw/zinc/31/55/57/244315557.db2.gz ARHLQLBOPXTQBQ-RLLQIKCJSA-N 1 1 316.489 3.471 10 30 DGEEMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000093868672 193321444 /nfs/dbraw/zinc/32/14/44/193321444.db2.gz SIFIHDYLNQSMIM-HOCLYGCPSA-N 1 1 314.458 3.312 10 30 DGEEMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134823702 335014420 /nfs/dbraw/zinc/01/44/20/335014420.db2.gz POJAHZUBKIYHHM-SJORKVTESA-N 1 1 305.393 3.190 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190192781 432130965 /nfs/dbraw/zinc/13/09/65/432130965.db2.gz YMOPIKAIARMYCS-CYBMUJFWSA-N 1 1 318.383 3.097 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190192781 432130972 /nfs/dbraw/zinc/13/09/72/432130972.db2.gz YMOPIKAIARMYCS-CYBMUJFWSA-N 1 1 318.383 3.097 10 30 DGEEMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246436842 432131360 /nfs/dbraw/zinc/13/13/60/432131360.db2.gz CXSAIVOYNQLQHI-OLMNPRSZSA-N 1 1 315.392 3.157 10 30 DGEEMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246436842 432131365 /nfs/dbraw/zinc/13/13/65/432131365.db2.gz CXSAIVOYNQLQHI-OLMNPRSZSA-N 1 1 315.392 3.157 10 30 DGEEMO C=C(C)CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000181640516 432139304 /nfs/dbraw/zinc/13/93/04/432139304.db2.gz CUQNUEQUZCOFOF-JKSUJKDBSA-N 1 1 321.852 3.303 10 30 DGEEMO C=C(C)CN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000181640516 432139308 /nfs/dbraw/zinc/13/93/08/432139308.db2.gz CUQNUEQUZCOFOF-JKSUJKDBSA-N 1 1 321.852 3.303 10 30 DGEEMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c(C#N)c1C ZINC000249103926 285055813 /nfs/dbraw/zinc/05/58/13/285055813.db2.gz GOVVYSLCCUZPTI-GDBMZVCRSA-N 1 1 315.417 3.361 10 30 DGEEMO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]3CCCC[C@H]32)c(C#N)c1C ZINC000249103926 285055815 /nfs/dbraw/zinc/05/58/15/285055815.db2.gz GOVVYSLCCUZPTI-GDBMZVCRSA-N 1 1 315.417 3.361 10 30 DGEEMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000617044659 400292227 /nfs/dbraw/zinc/29/22/27/400292227.db2.gz QIZYEUCFNAIDBT-ZBFHGGJFSA-N 1 1 317.433 3.135 10 30 DGEEMO Cc1c[nH+]c(CCNC(=O)c2ccc(C#N)cc2)n1C1CCCC1 ZINC000169787977 400761157 /nfs/dbraw/zinc/76/11/57/400761157.db2.gz WBKUDDGTCRZQML-UHFFFAOYSA-N 1 1 322.412 3.151 10 30 DGEEMO C=CCCCN(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000605887948 400887837 /nfs/dbraw/zinc/88/78/37/400887837.db2.gz XXUIKUPBBKEIRF-INIZCTEOSA-N 1 1 309.498 3.495 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000625702375 401185621 /nfs/dbraw/zinc/18/56/21/401185621.db2.gz XWQXLXREKBFXPM-LBPRGKRZSA-N 1 1 300.324 3.421 10 30 DGEEMO C=CC[C@@H]1CC[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000625700437 401185722 /nfs/dbraw/zinc/18/57/22/401185722.db2.gz BUMYJQWPGXSJLU-QUCCMNQESA-N 1 1 314.473 3.176 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000625701681 401186330 /nfs/dbraw/zinc/18/63/30/401186330.db2.gz LMYUJZPISUFXPW-CYBMUJFWSA-N 1 1 301.365 3.198 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000625701376 401186570 /nfs/dbraw/zinc/18/65/70/401186570.db2.gz QPHZOSXOBMEVCB-KBPBESRZSA-N 1 1 322.399 3.382 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)N(CC)Cc2cccc(F)c2)C1 ZINC000625703085 401187276 /nfs/dbraw/zinc/18/72/76/401187276.db2.gz YFUTVZSEGKEPHJ-HNNXBMFYSA-N 1 1 304.409 3.072 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)N(CC)Cc2cccc(F)c2)C1 ZINC000625703090 401188391 /nfs/dbraw/zinc/18/83/91/401188391.db2.gz YFUTVZSEGKEPHJ-OAHLLOKOSA-N 1 1 304.409 3.072 10 30 DGEEMO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000630860747 401343836 /nfs/dbraw/zinc/34/38/36/401343836.db2.gz PIQKVDVAHJYODP-OAHLLOKOSA-N 1 1 318.486 3.433 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000623466735 401524595 /nfs/dbraw/zinc/52/45/95/401524595.db2.gz KHYFUYJXRNLRQG-FGTMMUONSA-N 1 1 321.509 3.352 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000628486961 401606910 /nfs/dbraw/zinc/60/69/10/401606910.db2.gz UNPXARXSRQHKGH-INIZCTEOSA-N 1 1 313.445 3.031 10 30 DGEEMO C=CCCC(C)(C)CNC(=O)NCCCCn1cc[nH+]c1C ZINC000633050883 401647391 /nfs/dbraw/zinc/64/73/91/401647391.db2.gz AOJVXTJXMZTRDP-UHFFFAOYSA-N 1 1 306.454 3.263 10 30 DGEEMO COc1ccc([C@H]2C[C@@H](C)[N@@H+](Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000191386807 165247939 /nfs/dbraw/zinc/24/79/39/165247939.db2.gz SFLOIOXUJDPVIQ-PBHICJAKSA-N 1 1 309.413 3.283 10 30 DGEEMO Cn1cc(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)cc1C#N ZINC000191408653 165248893 /nfs/dbraw/zinc/24/88/93/165248893.db2.gz QSXWYTMKUHJPBL-QGZVFWFLSA-N 1 1 315.804 3.203 10 30 DGEEMO C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000192145049 165283961 /nfs/dbraw/zinc/28/39/61/165283961.db2.gz OFQUDCBMSXLXRX-HNNXBMFYSA-N 1 1 312.388 3.470 10 30 DGEEMO Cc1cc(C#N)ccc1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000160830740 228249222 /nfs/dbraw/zinc/24/92/22/228249222.db2.gz VVIXFAOVIMBNEO-UHFFFAOYSA-N 1 1 313.445 3.251 10 30 DGEEMO C=CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000247422209 432229471 /nfs/dbraw/zinc/22/94/71/432229471.db2.gz OBYOPBMGTXTABW-MAUKXSAKSA-N 1 1 316.445 3.054 10 30 DGEEMO N#Cc1ccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000374766587 268128128 /nfs/dbraw/zinc/12/81/28/268128128.db2.gz XLYPLGPKCXBJTM-QUCCMNQESA-N 1 1 318.424 3.197 10 30 DGEEMO C=CCC1(C(=O)N2CCC[C@@H](n3cc[nH+]c3CC)C2)CCC1 ZINC000191346799 432252606 /nfs/dbraw/zinc/25/26/06/432252606.db2.gz UPVZPSHKMXJKOY-OAHLLOKOSA-N 1 1 301.434 3.355 10 30 DGEEMO N#Cc1nc(NC[C@H]2CCCn3cc[nH+]c32)ccc1C(F)(F)F ZINC000619697088 430597550 /nfs/dbraw/zinc/59/75/50/430597550.db2.gz BYMYCBUEKKCBKY-SNVBAGLBSA-N 1 1 321.306 3.158 10 30 DGEEMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)C1 ZINC000328798450 279315593 /nfs/dbraw/zinc/31/55/93/279315593.db2.gz GCZHCDRHZRBOKQ-ZDUSSCGKSA-N 1 1 315.417 3.355 10 30 DGEEMO COc1ccccc1CC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000112560251 431286017 /nfs/dbraw/zinc/28/60/17/431286017.db2.gz ZKJOVAPZWNURLV-KRWDZBQOSA-N 1 1 311.429 3.393 10 30 DGEEMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CCCSCC#N)c1 ZINC000074981358 431444818 /nfs/dbraw/zinc/44/48/18/431444818.db2.gz MPMAOWXMKPMZDJ-INIZCTEOSA-N 1 1 320.458 3.488 10 30 DGEEMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000123052210 431853330 /nfs/dbraw/zinc/85/33/30/431853330.db2.gz MRMXIXGZHHRQKD-LJQANCHMSA-N 1 1 323.440 3.431 10 30 DGEEMO N#Cc1cccc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000123597443 431869077 /nfs/dbraw/zinc/86/90/77/431869077.db2.gz FUOZSBBJJYMIIV-SJORKVTESA-N 1 1 302.443 3.045 10 30 DGEEMO C=CCC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036095532 431835874 /nfs/dbraw/zinc/83/58/74/431835874.db2.gz FUVAGZZUMKRDJG-ROUUACIJSA-N 1 1 307.409 3.134 10 30 DGEEMO CN(CCC#N)c1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000092810911 431912087 /nfs/dbraw/zinc/91/20/87/431912087.db2.gz OFVSPJUTUXXOKO-UHFFFAOYSA-N 1 1 323.444 3.139 10 30 DGEEMO C#CCCOc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000093644505 431915668 /nfs/dbraw/zinc/91/56/68/431915668.db2.gz DHABWNVALKDXFQ-AEFFLSMTSA-N 1 1 300.446 3.003 10 30 DGEEMO C#CCCOc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000093644505 431915679 /nfs/dbraw/zinc/91/56/79/431915679.db2.gz DHABWNVALKDXFQ-AEFFLSMTSA-N 1 1 300.446 3.003 10 30 DGEEMO C#CCCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000093644505 431915681 /nfs/dbraw/zinc/91/56/81/431915681.db2.gz DHABWNVALKDXFQ-AEFFLSMTSA-N 1 1 300.446 3.003 10 30 DGEEMO C#CCOc1ccc(C[N@@H+](CC)CCc2nccs2)cc1 ZINC000093764601 431916776 /nfs/dbraw/zinc/91/67/76/431916776.db2.gz KHFXVBAPZUIZNT-UHFFFAOYSA-N 1 1 300.427 3.220 10 30 DGEEMO C=CCc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc(OC)c1O ZINC000091978926 431905670 /nfs/dbraw/zinc/90/56/70/431905670.db2.gz GAEUWHACYPGLOA-IRXDYDNUSA-N 1 1 317.429 3.273 10 30 DGEEMO C=CCc1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc(OC)c1O ZINC000091978926 431905671 /nfs/dbraw/zinc/90/56/71/431905671.db2.gz GAEUWHACYPGLOA-IRXDYDNUSA-N 1 1 317.429 3.273 10 30 DGEEMO C[N@@H+](CCOCCOc1ccccc1)Cc1cccc(C#N)c1 ZINC000051400929 431951361 /nfs/dbraw/zinc/95/13/61/431951361.db2.gz UADDVWCVYFDNPK-UHFFFAOYSA-N 1 1 310.397 3.086 10 30 DGEEMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000248894192 432327107 /nfs/dbraw/zinc/32/71/07/432327107.db2.gz GIVGHZQFVRKYFY-BVGQSLNGSA-N 1 1 312.438 3.389 10 30 DGEEMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192118647 432333104 /nfs/dbraw/zinc/33/31/04/432333104.db2.gz SUASVBUVCPQVIX-GOSISDBHSA-N 1 1 308.429 3.090 10 30 DGEEMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000249044489 432334905 /nfs/dbraw/zinc/33/49/05/432334905.db2.gz NLAMYFXOEMGNTC-YWVIFJGQSA-N 1 1 311.347 3.291 10 30 DGEEMO CC#CCCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000248622961 432306914 /nfs/dbraw/zinc/30/69/14/432306914.db2.gz MJVBFJBLMQYOEL-WMZOPIPTSA-N 1 1 318.848 3.395 10 30 DGEEMO CC#CCCCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000248622961 432306919 /nfs/dbraw/zinc/30/69/19/432306919.db2.gz MJVBFJBLMQYOEL-WMZOPIPTSA-N 1 1 318.848 3.395 10 30 DGEEMO C=C[C@@H](CC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000252801404 432388101 /nfs/dbraw/zinc/38/81/01/432388101.db2.gz JLODSMFXIKDROA-WMZOPIPTSA-N 1 1 300.446 3.289 10 30 DGEEMO C=CCOc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000175591328 432450920 /nfs/dbraw/zinc/45/09/20/432450920.db2.gz ZNLIBEYENNAQIW-GOEBONIOSA-N 1 1 317.433 3.198 10 30 DGEEMO CC#CCCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000185303629 432489099 /nfs/dbraw/zinc/48/90/99/432489099.db2.gz DXZUJTIVUGGMQD-LJQANCHMSA-N 1 1 312.457 3.351 10 30 DGEEMO C[C@@H]1CCC[N@H+]1C1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000154936568 432530170 /nfs/dbraw/zinc/53/01/70/432530170.db2.gz CETDCGWNHZXOEA-GFCCVEGCSA-N 1 1 305.372 3.290 10 30 DGEEMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000186309460 432581723 /nfs/dbraw/zinc/58/17/23/432581723.db2.gz JGXNBRKGZOHJJV-QGZVFWFLSA-N 1 1 321.428 3.173 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160022214 432705328 /nfs/dbraw/zinc/70/53/28/432705328.db2.gz AORWMRQMIXZXBM-AEFFLSMTSA-N 1 1 315.461 3.257 10 30 DGEEMO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000179015629 432796793 /nfs/dbraw/zinc/79/67/93/432796793.db2.gz XCKQUONYEJDWKU-ROUUACIJSA-N 1 1 320.396 3.125 10 30 DGEEMO C[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1n1ccnc1 ZINC000245717585 432857829 /nfs/dbraw/zinc/85/78/29/432857829.db2.gz UHENEZVIMGOORC-MAUKXSAKSA-N 1 1 313.832 3.471 10 30 DGEEMO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425403247 433220993 /nfs/dbraw/zinc/22/09/93/433220993.db2.gz IGBQVHFYXRDJNM-QGZVFWFLSA-N 1 1 316.445 3.083 10 30 DGEEMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425403247 433220998 /nfs/dbraw/zinc/22/09/98/433220998.db2.gz IGBQVHFYXRDJNM-QGZVFWFLSA-N 1 1 316.445 3.083 10 30 DGEEMO C=CCCCNC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000448031745 433354897 /nfs/dbraw/zinc/35/48/97/433354897.db2.gz RVJATJHLMSUIHN-IAGOWNOFSA-N 1 1 315.461 3.257 10 30 DGEEMO Cc1csc(NC2CC[NH+](Cc3ccc(C#N)s3)CC2)n1 ZINC000375218691 433388728 /nfs/dbraw/zinc/38/87/28/433388728.db2.gz SUPZXITUPRIABQ-UHFFFAOYSA-N 1 1 318.471 3.461 10 30 DGEEMO C=CCCCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000448380996 433405273 /nfs/dbraw/zinc/40/52/73/433405273.db2.gz IFFIRVOWPGGCJG-SJORKVTESA-N 1 1 307.482 3.249 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)cc1 ZINC000448377200 433405486 /nfs/dbraw/zinc/40/54/86/433405486.db2.gz RGWQWYGVLKCYBN-TXPKVOOTSA-N 1 1 317.429 3.020 10 30 DGEEMO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000361986107 433485118 /nfs/dbraw/zinc/48/51/18/433485118.db2.gz PNAPMMFRMXRSOP-QGZVFWFLSA-N 1 1 302.418 3.096 10 30 DGEEMO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000361986107 433485130 /nfs/dbraw/zinc/48/51/30/433485130.db2.gz PNAPMMFRMXRSOP-QGZVFWFLSA-N 1 1 302.418 3.096 10 30 DGEEMO C=C(C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000454730585 433524150 /nfs/dbraw/zinc/52/41/50/433524150.db2.gz IJOTVDSTZMSPEY-JKSUJKDBSA-N 1 1 321.852 3.351 10 30 DGEEMO C=C(C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000454730585 433524157 /nfs/dbraw/zinc/52/41/57/433524157.db2.gz IJOTVDSTZMSPEY-JKSUJKDBSA-N 1 1 321.852 3.351 10 30 DGEEMO CCC[N@H+]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000301391744 433534147 /nfs/dbraw/zinc/53/41/47/433534147.db2.gz HOILIKYCFVLIJR-UHFFFAOYSA-N 1 1 311.351 3.499 10 30 DGEEMO CCc1nnc(NCCC[N@H+]2CCC[C@@H](C)C2)c(C#N)c1CC ZINC000301628172 433646645 /nfs/dbraw/zinc/64/66/45/433646645.db2.gz RJQBFIKJEPGWGU-CQSZACIVSA-N 1 1 315.465 3.007 10 30 DGEEMO Cc1cc(N2CCC[N@@H+](Cc3ccccc3)CC2)c(C#N)c(C)n1 ZINC000301663683 433661435 /nfs/dbraw/zinc/66/14/35/433661435.db2.gz KNZZLRRLLQCFPT-UHFFFAOYSA-N 1 1 320.440 3.282 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000362456684 433728299 /nfs/dbraw/zinc/72/82/99/433728299.db2.gz WSKGQAMAVLMBFE-HZPDHXFCSA-N 1 1 302.418 3.253 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000362456684 433728310 /nfs/dbraw/zinc/72/83/10/433728310.db2.gz WSKGQAMAVLMBFE-HZPDHXFCSA-N 1 1 302.418 3.253 10 30 DGEEMO C=CC[C@@H](CO)Nc1cc[nH+]c2cc(Br)ccc12 ZINC000302143880 433812862 /nfs/dbraw/zinc/81/28/62/433812862.db2.gz QGHGUKBWVJGJGT-NSHDSACASA-N 1 1 307.191 3.346 10 30 DGEEMO C=CCC(C)(C)CNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416236910 434066995 /nfs/dbraw/zinc/06/69/95/434066995.db2.gz CMCYXGKDEYKOHF-UHFFFAOYSA-N 1 1 300.446 3.153 10 30 DGEEMO C=C(C)C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000378530775 434213644 /nfs/dbraw/zinc/21/36/44/434213644.db2.gz FSTKOLBRABPHAD-HNNXBMFYSA-N 1 1 316.449 3.294 10 30 DGEEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328634751 434293857 /nfs/dbraw/zinc/29/38/57/434293857.db2.gz BQIDTUJYFNVZPJ-LSDHHAIUSA-N 1 1 309.454 3.353 10 30 DGEEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cn(C)nc2C2CCCCC2)C1 ZINC000328705899 434302195 /nfs/dbraw/zinc/30/21/95/434302195.db2.gz AEPWXTJHGNZTCN-OAHLLOKOSA-N 1 1 318.465 3.257 10 30 DGEEMO C=CCn1cc(C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)nn1 ZINC000424297699 434683315 /nfs/dbraw/zinc/68/33/15/434683315.db2.gz RDTQMOUVSAAWOL-KRWDZBQOSA-N 1 1 300.381 3.153 10 30 DGEEMO C=CC[C@H]1[N@H+](CC(=O)Nc2nc(C)cs2)CCCC1(C)C ZINC000444773376 434791150 /nfs/dbraw/zinc/79/11/50/434791150.db2.gz CXNKFDXAZBEGQN-CYBMUJFWSA-N 1 1 307.463 3.457 10 30 DGEEMO C=CC[C@H]1[N@@H+](CC(=O)Nc2nc(C)cs2)CCCC1(C)C ZINC000444773376 434791155 /nfs/dbraw/zinc/79/11/55/434791155.db2.gz CXNKFDXAZBEGQN-CYBMUJFWSA-N 1 1 307.463 3.457 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000554819175 434948220 /nfs/dbraw/zinc/94/82/20/434948220.db2.gz UWVUJVJDIWHGTI-UHFFFAOYSA-N 1 1 303.431 3.441 10 30 DGEEMO C=CCN1CCC([NH2+]Cc2ccsc2Br)CC1 ZINC000527657478 435013043 /nfs/dbraw/zinc/01/30/43/435013043.db2.gz RFEIXMSCYFRHOK-UHFFFAOYSA-N 1 1 315.280 3.251 10 30 DGEEMO C=CC[C@@H](CC)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466321865 435072237 /nfs/dbraw/zinc/07/22/37/435072237.db2.gz AQDMEOZDZYXFDF-QZTJIDSGSA-N 1 1 315.461 3.257 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](C)[C@@H](CO)CC(C)C)cc1OC ZINC000558423215 435089011 /nfs/dbraw/zinc/08/90/11/435089011.db2.gz IIFCJCGLINZKAB-MRXNPFEDSA-N 1 1 307.434 3.099 10 30 DGEEMO C=CCCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000467103889 435109223 /nfs/dbraw/zinc/10/92/23/435109223.db2.gz KTFFYRSBVGUWNY-GDBMZVCRSA-N 1 1 321.490 3.349 10 30 DGEEMO C=C[C@@H](CC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000533924528 435260719 /nfs/dbraw/zinc/26/07/19/435260719.db2.gz ABNMOKYNDOGEMF-IRXDYDNUSA-N 1 1 300.446 3.337 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000535806058 435354944 /nfs/dbraw/zinc/35/49/44/435354944.db2.gz CDAQGQXKMGQDMG-SJLPKXTDSA-N 1 1 301.430 3.500 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](C)C[C@H](O)Cc2ccccc2)cc1 ZINC000480621191 435389275 /nfs/dbraw/zinc/38/92/75/435389275.db2.gz JEKQIMNSJVGOML-LJQANCHMSA-N 1 1 311.425 3.287 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483411903 435517512 /nfs/dbraw/zinc/51/75/12/435517512.db2.gz RPZXQSFVGAYREH-LJQANCHMSA-N 1 1 318.436 3.214 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000539850821 435576307 /nfs/dbraw/zinc/57/63/07/435576307.db2.gz SAGYEKKYONZTPG-GOSISDBHSA-N 1 1 301.430 3.500 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179261428 337168282 /nfs/dbraw/zinc/16/82/82/337168282.db2.gz CNXZWJQYWFVOFF-SJORKVTESA-N 1 1 301.434 3.039 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000499255731 340033521 /nfs/dbraw/zinc/03/35/21/340033521.db2.gz ZEFOQCXLAXHWBI-DLBZAZTESA-N 1 1 303.446 3.480 10 30 DGEEMO C=CCCc1ccccc1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000505038683 340159645 /nfs/dbraw/zinc/15/96/45/340159645.db2.gz LAYJDZRFQAMSCS-LSDHHAIUSA-N 1 1 301.434 3.362 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)N1CC[NH2+][C@@H](c2ccc(CC)cc2)C1 ZINC000505470097 340169160 /nfs/dbraw/zinc/16/91/60/340169160.db2.gz XMMWNBQOHLWPOI-CRAIPNDOSA-N 1 1 300.446 3.324 10 30 DGEEMO C=C(C)CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000509365351 340267373 /nfs/dbraw/zinc/26/73/73/340267373.db2.gz IZSKHDFJJUIZTR-QGZVFWFLSA-N 1 1 314.429 3.381 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](C)[C@H](CC(C)C)C(=O)OC)cc1 ZINC000509818900 340280117 /nfs/dbraw/zinc/28/01/17/340280117.db2.gz IVVKPNRZCNFTDB-QGZVFWFLSA-N 1 1 305.418 3.271 10 30 DGEEMO C=CCOc1ccc(C[N@H+](C)[C@H](CC(C)C)C(=O)OC)cc1 ZINC000509818900 340280118 /nfs/dbraw/zinc/28/01/18/340280118.db2.gz IVVKPNRZCNFTDB-QGZVFWFLSA-N 1 1 305.418 3.271 10 30 DGEEMO C=CCOc1cccc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@H]2C)c1 ZINC000130483123 341022826 /nfs/dbraw/zinc/02/28/26/341022826.db2.gz BITLJLZNDAOOTR-VQIMIIECSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1cccc(C[N@H+](C)[C@@H]2CCN(CC)C[C@H]2C)c1 ZINC000130483123 341022827 /nfs/dbraw/zinc/02/28/27/341022827.db2.gz BITLJLZNDAOOTR-VQIMIIECSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1cccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000130483123 341022828 /nfs/dbraw/zinc/02/28/28/341022828.db2.gz BITLJLZNDAOOTR-VQIMIIECSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1cccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000130483123 341022829 /nfs/dbraw/zinc/02/28/29/341022829.db2.gz BITLJLZNDAOOTR-VQIMIIECSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000552268480 341382360 /nfs/dbraw/zinc/38/23/60/341382360.db2.gz KVMFBCVMPYSRLS-RCCFBDPRSA-N 1 1 300.446 3.214 10 30 DGEEMO C=CCOc1ccccc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000552268480 341382361 /nfs/dbraw/zinc/38/23/61/341382361.db2.gz KVMFBCVMPYSRLS-RCCFBDPRSA-N 1 1 300.446 3.214 10 30 DGEEMO C=CCC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000249534445 341399019 /nfs/dbraw/zinc/39/90/19/341399019.db2.gz CAUALJYUPFBLQZ-QZTJIDSGSA-N 1 1 300.446 3.337 10 30 DGEEMO COc1cc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)ccc1C#N ZINC000442879625 533793903 /nfs/dbraw/zinc/79/39/03/533793903.db2.gz JHFWZFWLEQRLOE-CQSZACIVSA-N 1 1 310.397 3.335 10 30 DGEEMO C=CC[N@@H+](CCc1ccco1)Cc1cnc2ccc(C#N)cn12 ZINC000352929881 526327768 /nfs/dbraw/zinc/32/77/68/526327768.db2.gz IUDYSLMFAMOTCE-UHFFFAOYSA-N 1 1 306.369 3.030 10 30 DGEEMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CC(OCC)C1 ZINC000351860835 526349626 /nfs/dbraw/zinc/34/96/26/526349626.db2.gz QKTXCUTVGUKXJG-UHFFFAOYSA-N 1 1 304.390 3.398 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000337840062 526518940 /nfs/dbraw/zinc/51/89/40/526518940.db2.gz LMJASGUIMWMUQY-UHFFFAOYSA-N 1 1 318.461 3.168 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000337840062 526518946 /nfs/dbraw/zinc/51/89/46/526518946.db2.gz LMJASGUIMWMUQY-UHFFFAOYSA-N 1 1 318.461 3.168 10 30 DGEEMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000127737668 526633107 /nfs/dbraw/zinc/63/31/07/526633107.db2.gz RTVQBKQHTQTRDY-UONOGXRCSA-N 1 1 321.490 3.137 10 30 DGEEMO C=C(C)COc1cc(C[N@H+]2CCOCC3(CC3)C2)ccc1OC ZINC000341559456 526660402 /nfs/dbraw/zinc/66/04/02/526660402.db2.gz GLSZGWOICBJWFK-UHFFFAOYSA-N 1 1 317.429 3.263 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000352372104 526932043 /nfs/dbraw/zinc/93/20/43/526932043.db2.gz OBEYTVNPZJGFKI-MRXNPFEDSA-N 1 1 311.429 3.365 10 30 DGEEMO C=CC[C@@H](CO)[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000184282149 527102805 /nfs/dbraw/zinc/10/28/05/527102805.db2.gz XFFCEAMRDIBFKU-AWEZNQCLSA-N 1 1 318.442 3.057 10 30 DGEEMO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000412839525 527111976 /nfs/dbraw/zinc/11/19/76/527111976.db2.gz LUWAWKUAAZJZGQ-SZMVWBNQSA-N 1 1 300.446 3.020 10 30 DGEEMO C=CCCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000351639588 527159673 /nfs/dbraw/zinc/15/96/73/527159673.db2.gz QJJWVOCARZNDRY-SJORKVTESA-N 1 1 301.434 3.087 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000346960591 527192883 /nfs/dbraw/zinc/19/28/83/527192883.db2.gz KJZONYMAJBGTBY-SFHVURJKSA-N 1 1 300.446 3.420 10 30 DGEEMO C=CCc1cc(C[N@H+](C[C@@H](C)OC)C(C)C)cc(OC)c1O ZINC000353777497 527237637 /nfs/dbraw/zinc/23/76/37/527237637.db2.gz BCLIQGSKWYWICW-CQSZACIVSA-N 1 1 307.434 3.375 10 30 DGEEMO C=CCCC[C@H](C)[N@@H+](C)CCn1cc(Br)cn1 ZINC000344227712 527274112 /nfs/dbraw/zinc/27/41/12/527274112.db2.gz PKGXRKLMIRRPDA-LBPRGKRZSA-N 1 1 300.244 3.322 10 30 DGEEMO C=CCC[N@H+](C)Cc1nc2cc(C(=O)OCC)ccc2n1CC ZINC000343703082 527322962 /nfs/dbraw/zinc/32/29/62/527322962.db2.gz ZGLJRGWTJDORLS-UHFFFAOYSA-N 1 1 315.417 3.241 10 30 DGEEMO CC(C)(C#N)CCC[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000174839097 527462086 /nfs/dbraw/zinc/46/20/86/527462086.db2.gz VRKPPGVFXJLFDP-OAHLLOKOSA-N 1 1 315.465 3.471 10 30 DGEEMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000174839097 527462090 /nfs/dbraw/zinc/46/20/90/527462090.db2.gz VRKPPGVFXJLFDP-OAHLLOKOSA-N 1 1 315.465 3.471 10 30 DGEEMO C=C[C@H](C)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000349415708 527567306 /nfs/dbraw/zinc/56/73/06/527567306.db2.gz RLYRUXRHDUWQQF-ZFWWWQNUSA-N 1 1 301.434 3.184 10 30 DGEEMO C=C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000135654770 527572146 /nfs/dbraw/zinc/57/21/46/527572146.db2.gz AYEBZEPXHQIAJQ-JFIYKMOQSA-N 1 1 300.446 3.287 10 30 DGEEMO C=C[C@H](CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000126460599 527577540 /nfs/dbraw/zinc/57/75/40/527577540.db2.gz MRVUILWTQLCPQT-JZXOWHBKSA-N 1 1 300.446 3.191 10 30 DGEEMO CCCCCCCCCC(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181406425 528121822 /nfs/dbraw/zinc/12/18/22/528121822.db2.gz RXDAAROPBZRQPX-QGZVFWFLSA-N 1 1 320.481 3.034 10 30 DGEEMO Cc1nc(C2(NC(=O)CC[N@@H+]3CCCC[C@H]3C)CCCC2)no1 ZINC000328802486 546481536 /nfs/dbraw/zinc/48/15/36/546481536.db2.gz ZXZMZIADBSENQK-CYBMUJFWSA-N 1 1 320.437 3.368 10 30 DGEEMO C#CCCOc1ccc(CNCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000733328315 574616232 /nfs/dbraw/zinc/61/62/32/574616232.db2.gz QSUYGMIDFVJGAY-ROUUACIJSA-N 1 1 314.473 3.441 10 30 DGEEMO C#CCCOc1ccc(CNCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000733328311 574616447 /nfs/dbraw/zinc/61/64/47/574616447.db2.gz QSUYGMIDFVJGAY-HDICACEKSA-N 1 1 314.473 3.441 10 30 DGEEMO C#CCCOc1ccc(CNCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000733328311 574616449 /nfs/dbraw/zinc/61/64/49/574616449.db2.gz QSUYGMIDFVJGAY-HDICACEKSA-N 1 1 314.473 3.441 10 30 DGEEMO CC1(C)C[N@H+](Cc2cc(Cl)ccc2OCC#N)CCCO1 ZINC000735311847 574696963 /nfs/dbraw/zinc/69/69/63/574696963.db2.gz WYQVAMIYECAOEC-UHFFFAOYSA-N 1 1 308.809 3.243 10 30 DGEEMO CC1(C)C[N@@H+](Cc2cc(Cl)ccc2OCC#N)CCCO1 ZINC000735311847 574696965 /nfs/dbraw/zinc/69/69/65/574696965.db2.gz WYQVAMIYECAOEC-UHFFFAOYSA-N 1 1 308.809 3.243 10 30 DGEEMO C=CCCC(=O)OC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000735902269 574721524 /nfs/dbraw/zinc/72/15/24/574721524.db2.gz DHKHRWYYYFAOHK-MAUKXSAKSA-N 1 1 303.402 3.197 10 30 DGEEMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1sc(C(C)(C)C)nc1C ZINC000729812107 575263778 /nfs/dbraw/zinc/26/37/78/575263778.db2.gz LWANWYJHMXXYSB-CYBMUJFWSA-N 1 1 320.458 3.003 10 30 DGEEMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1sc(C(C)(C)C)nc1C ZINC000729812107 575263780 /nfs/dbraw/zinc/26/37/80/575263780.db2.gz LWANWYJHMXXYSB-CYBMUJFWSA-N 1 1 320.458 3.003 10 30 DGEEMO C#CCCOc1ccc(C[NH2+]Cc2csc(CC)n2)cc1 ZINC000113339753 620905018 /nfs/dbraw/zinc/90/50/18/620905018.db2.gz XIYLYGMZYPOZKT-UHFFFAOYSA-N 1 1 300.427 3.397 10 30 DGEEMO Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)[C@H]2C)o1 ZINC000886078120 627100021 /nfs/dbraw/zinc/10/00/21/627100021.db2.gz LZEVYWRUVASQCW-NHYWBVRUSA-N 1 1 314.364 3.157 10 30 DGEEMO C#CCCCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702332738 660721399 /nfs/dbraw/zinc/72/13/99/660721399.db2.gz VMBNEJMGBAOQSX-PZJWPPBQSA-N 1 1 324.468 3.161 10 30 DGEEMO Cc1cccc2nc(CNC(=[NH+]Cc3ccccc3)N(C)C)[nH]c21 ZINC000305686380 657909620 /nfs/dbraw/zinc/90/96/20/657909620.db2.gz AJALWVWXYYERBX-UHFFFAOYSA-N 1 1 321.428 3.079 10 30 DGEEMO C#CC[N@H+](Cc1cc(=O)oc2cc(OC)ccc12)C1CCCC1 ZINC000155753890 658846511 /nfs/dbraw/zinc/84/65/11/658846511.db2.gz IAKOCODHAZBVCZ-UHFFFAOYSA-N 1 1 311.381 3.179 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000446844936 660063959 /nfs/dbraw/zinc/06/39/59/660063959.db2.gz WOMWZSXZOKUOTF-QGZVFWFLSA-N 1 1 311.429 3.365 10 30 DGEEMO C[N@H+](Cc1ccc(Cl)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000048880162 661896911 /nfs/dbraw/zinc/89/69/11/661896911.db2.gz JSHMWVBHKWDQRB-KRWDZBQOSA-N 1 1 300.789 3.377 10 30 DGEEMO C=CCCC[N@@H+](C)Cn1c(Cc2cccs2)n[nH]c1=S ZINC000076665001 661992340 /nfs/dbraw/zinc/99/23/40/661992340.db2.gz BCGKRGWNXHNDLF-UHFFFAOYSA-N 1 1 308.476 3.448 10 30 DGEEMO C=CCCC[N@H+](C)Cn1c(Cc2cccs2)n[nH]c1=S ZINC000076665001 661992343 /nfs/dbraw/zinc/99/23/43/661992343.db2.gz BCGKRGWNXHNDLF-UHFFFAOYSA-N 1 1 308.476 3.448 10 30 DGEEMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCC#Cc1ccccc1 ZINC000088726960 662233971 /nfs/dbraw/zinc/23/39/71/662233971.db2.gz FWOUREALCBAIKV-NQIIRXRSSA-N 1 1 304.437 3.148 10 30 DGEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCC#Cc1ccccc1 ZINC000088726960 662233972 /nfs/dbraw/zinc/23/39/72/662233972.db2.gz FWOUREALCBAIKV-NQIIRXRSSA-N 1 1 304.437 3.148 10 30 DGEEMO CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@H](C)C#N)cc2)[C@H](C)C1 ZINC000245750103 662240288 /nfs/dbraw/zinc/24/02/88/662240288.db2.gz NRMLCKCUYBSXSU-MDZRGWNJSA-N 1 1 315.461 3.140 10 30 DGEEMO CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)[C@H](C)C1 ZINC000245750103 662240289 /nfs/dbraw/zinc/24/02/89/662240289.db2.gz NRMLCKCUYBSXSU-MDZRGWNJSA-N 1 1 315.461 3.140 10 30 DGEEMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)[C@H](C)C1 ZINC000245750103 662240290 /nfs/dbraw/zinc/24/02/90/662240290.db2.gz NRMLCKCUYBSXSU-MDZRGWNJSA-N 1 1 315.461 3.140 10 30 DGEEMO CCN1CC[C@H]([N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)[C@H](C)C1 ZINC000245750103 662240291 /nfs/dbraw/zinc/24/02/91/662240291.db2.gz NRMLCKCUYBSXSU-MDZRGWNJSA-N 1 1 315.461 3.140 10 30 DGEEMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)[C@H](C)C1 ZINC000245750103 662240292 /nfs/dbraw/zinc/24/02/92/662240292.db2.gz NRMLCKCUYBSXSU-MDZRGWNJSA-N 1 1 315.461 3.140 10 30 DGEEMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(O[C@H](C)C#N)cc2)[C@H](C)C1 ZINC000245750103 662240293 /nfs/dbraw/zinc/24/02/93/662240293.db2.gz NRMLCKCUYBSXSU-MDZRGWNJSA-N 1 1 315.461 3.140 10 30 DGEEMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(O[C@H](C)C#N)cc2)[C@H](C)C1 ZINC000245750103 662240294 /nfs/dbraw/zinc/24/02/94/662240294.db2.gz NRMLCKCUYBSXSU-MDZRGWNJSA-N 1 1 315.461 3.140 10 30 DGEEMO C[C@H]1C[C@@H](C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)CC[N@H+]1C ZINC000329576808 1177024033 /nfs/dbraw/zinc/02/40/33/1177024033.db2.gz OJUVGFUMMSXRDY-QEJZJMRPSA-N 1 1 315.417 3.449 10 30 DGEEMO C=CCOc1ccc(C[NH2+]Cc2cn3ccccc3n2)cc1OC ZINC000072726632 1196111860 /nfs/dbraw/zinc/11/18/60/1196111860.db2.gz CBDGZJLNRHOBGO-UHFFFAOYSA-N 1 1 323.396 3.198 10 30 DGEEMO C=C(C)CC[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000429116736 1199822930 /nfs/dbraw/zinc/82/29/30/1199822930.db2.gz RXSFGDNZPDBUHC-JKSUJKDBSA-N 1 1 307.821 3.495 10 30 DGEEMO CCC[N@@H+](CC)CCNc1cc(Br)ccc1C#N ZINC000218054605 1202544728 /nfs/dbraw/zinc/54/47/28/1202544728.db2.gz IWOAGJHCBDXBKB-UHFFFAOYSA-N 1 1 310.239 3.465 10 30 DGEEMO C=CCOc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1OC ZINC000237110951 1202647753 /nfs/dbraw/zinc/64/77/53/1202647753.db2.gz DLJYZVZFGJODKJ-UHFFFAOYSA-N 1 1 318.461 3.222 10 30 DGEEMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000092585964 185327041 /nfs/dbraw/zinc/32/70/41/185327041.db2.gz NBLYLLBTYDBHCI-CYBMUJFWSA-N 1 1 319.405 3.030 10 30 DGEEMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000092585964 185327042 /nfs/dbraw/zinc/32/70/42/185327042.db2.gz NBLYLLBTYDBHCI-CYBMUJFWSA-N 1 1 319.405 3.030 10 30 DGEEMO CCc1nccn1[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000160002966 529760709 /nfs/dbraw/zinc/76/07/09/529760709.db2.gz HGCWISOXSICKQQ-GOSISDBHSA-N 1 1 311.404 3.273 10 30 DGEEMO CCc1[nH+]ccn1[C@@H]1CCCN(c2cc(C(C)=O)ccc2C#N)C1 ZINC000302127111 529760999 /nfs/dbraw/zinc/76/09/99/529760999.db2.gz WSKYCANUYGVPAL-QGZVFWFLSA-N 1 1 322.412 3.361 10 30 DGEEMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000189964410 186256243 /nfs/dbraw/zinc/25/62/43/186256243.db2.gz DEXQGYPYZAAZDF-PBHICJAKSA-N 1 1 321.428 3.425 10 30 DGEEMO N#Cc1ccc(CNC[C@H]2CCCC[N@H+]2Cc2ccccc2)o1 ZINC000174322045 198318860 /nfs/dbraw/zinc/31/88/60/198318860.db2.gz YGUCCPPZWKGKPA-QGZVFWFLSA-N 1 1 309.413 3.296 10 30 DGEEMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)C1 ZINC000294194100 283057976 /nfs/dbraw/zinc/05/79/76/283057976.db2.gz RDRFENQUSOBWLJ-IJLUTSLNSA-N 1 1 312.339 3.300 10 30 DGEEMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)C1 ZINC000294194100 283057979 /nfs/dbraw/zinc/05/79/79/283057979.db2.gz RDRFENQUSOBWLJ-IJLUTSLNSA-N 1 1 312.339 3.300 10 30 DGEEMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)C1 ZINC000294194100 283057984 /nfs/dbraw/zinc/05/79/84/283057984.db2.gz RDRFENQUSOBWLJ-IJLUTSLNSA-N 1 1 312.339 3.300 10 30 DGEEMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)C1 ZINC000294194098 283058220 /nfs/dbraw/zinc/05/82/20/283058220.db2.gz RDRFENQUSOBWLJ-GRYCIOLGSA-N 1 1 312.339 3.300 10 30 DGEEMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)C1 ZINC000294194098 283058221 /nfs/dbraw/zinc/05/82/21/283058221.db2.gz RDRFENQUSOBWLJ-GRYCIOLGSA-N 1 1 312.339 3.300 10 30 DGEEMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)C1 ZINC000294194098 283058222 /nfs/dbraw/zinc/05/82/22/283058222.db2.gz RDRFENQUSOBWLJ-GRYCIOLGSA-N 1 1 312.339 3.300 10 30 DGEEMO N#Cc1ccc2ncc(C[N@@H+]3CCS[C@@H]4CCCC[C@@H]43)n2c1 ZINC000093690051 283201339 /nfs/dbraw/zinc/20/13/39/283201339.db2.gz AWSURMLFLRGIDT-JKSUJKDBSA-N 1 1 312.442 3.066 10 30 DGEEMO N#Cc1ccc2ncc(C[N@H+]3CCS[C@@H]4CCCC[C@@H]43)n2c1 ZINC000093690051 283201340 /nfs/dbraw/zinc/20/13/40/283201340.db2.gz AWSURMLFLRGIDT-JKSUJKDBSA-N 1 1 312.442 3.066 10 30 DGEEMO CC[N@H+]1CCC[C@@H]1CN(C)c1cccc(Br)c1C#N ZINC000168567701 432068810 /nfs/dbraw/zinc/06/88/10/432068810.db2.gz IPMULNUKSUQUHD-GFCCVEGCSA-N 1 1 322.250 3.241 10 30 DGEEMO Cc1cccc(OCC[N@H+](C)Cc2cnc3ccc(C#N)cn23)c1 ZINC000179771954 432070585 /nfs/dbraw/zinc/07/05/85/432070585.db2.gz HRJSKVKGXQTPKH-UHFFFAOYSA-N 1 1 320.396 3.025 10 30 DGEEMO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000179909787 432073890 /nfs/dbraw/zinc/07/38/90/432073890.db2.gz ZANFHMZXFLBFID-AWEZNQCLSA-N 1 1 302.381 3.153 10 30 DGEEMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000179909787 432073892 /nfs/dbraw/zinc/07/38/92/432073892.db2.gz ZANFHMZXFLBFID-AWEZNQCLSA-N 1 1 302.381 3.153 10 30 DGEEMO C[N@@H+](CCOc1ccccc1C#N)Cc1ccc(Cl)nc1 ZINC000170988317 432092822 /nfs/dbraw/zinc/09/28/22/432092822.db2.gz OKDCVDWCBRSJBU-UHFFFAOYSA-N 1 1 301.777 3.117 10 30 DGEEMO CCCCOC[C@@H](O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000195160295 201348948 /nfs/dbraw/zinc/34/89/48/201348948.db2.gz RINAPKVOCJXDGZ-YJBOKZPZSA-N 1 1 304.434 3.119 10 30 DGEEMO COc1ccc(-n2cc(C[NH+]3CCC(C)(C#N)CC3)cn2)cc1 ZINC000449229525 240080177 /nfs/dbraw/zinc/08/01/77/240080177.db2.gz BQOWXSNIOWHBGC-UHFFFAOYSA-N 1 1 310.401 3.007 10 30 DGEEMO CC(C)n1cc(C2=CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nn1 ZINC000449476218 240231070 /nfs/dbraw/zinc/23/10/70/240231070.db2.gz ZLXZRHLFRFYQJV-UHFFFAOYSA-N 1 1 321.428 3.410 10 30 DGEEMO C=CCC[C@H](O)C[N@H+](CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000472763482 244314939 /nfs/dbraw/zinc/31/49/39/244314939.db2.gz ARHLQLBOPXTQBQ-SXLOBPIMSA-N 1 1 316.489 3.471 10 30 DGEEMO C=CCC[C@H](O)CN(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000472763482 244314944 /nfs/dbraw/zinc/31/49/44/244314944.db2.gz ARHLQLBOPXTQBQ-SXLOBPIMSA-N 1 1 316.489 3.471 10 30 DGEEMO C=CCC[C@H](O)CN(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000472763482 244314948 /nfs/dbraw/zinc/31/49/48/244314948.db2.gz ARHLQLBOPXTQBQ-SXLOBPIMSA-N 1 1 316.489 3.471 10 30 DGEEMO C[C@H]1CCN(Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000093811129 193311524 /nfs/dbraw/zinc/31/15/24/193311524.db2.gz VRRWRZPBFIYCON-INIZCTEOSA-N 1 1 309.413 3.248 10 30 DGEEMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)o1 ZINC000093838460 193314793 /nfs/dbraw/zinc/31/47/93/193314793.db2.gz AQVKVPNFJOUYIZ-AWEZNQCLSA-N 1 1 302.761 3.458 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)o1 ZINC000093838460 193314795 /nfs/dbraw/zinc/31/47/95/193314795.db2.gz AQVKVPNFJOUYIZ-AWEZNQCLSA-N 1 1 302.761 3.458 10 30 DGEEMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000246487734 432136007 /nfs/dbraw/zinc/13/60/07/432136007.db2.gz AKWCBXMKPZYCDK-ZBFHGGJFSA-N 1 1 317.433 3.123 10 30 DGEEMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000246487734 432136013 /nfs/dbraw/zinc/13/60/13/432136013.db2.gz AKWCBXMKPZYCDK-ZBFHGGJFSA-N 1 1 317.433 3.123 10 30 DGEEMO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc1Br ZINC000061892123 184193001 /nfs/dbraw/zinc/19/30/01/184193001.db2.gz VYZMJHFZOTZLJO-YPMHNXCESA-N 1 1 309.207 3.240 10 30 DGEEMO Cc1cc(C#N)cc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000342847045 254064963 /nfs/dbraw/zinc/06/49/63/254064963.db2.gz GOPWYIAZNCTMBL-KSSFIOAISA-N 1 1 306.413 3.194 10 30 DGEEMO COc1ccc(C[N@@H+](C)CCc2ncc(C)s2)cc1C#N ZINC000157326684 197180073 /nfs/dbraw/zinc/18/00/73/197180073.db2.gz WHUYUJAXQYWTPV-UHFFFAOYSA-N 1 1 301.415 3.006 10 30 DGEEMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000609625801 400182581 /nfs/dbraw/zinc/18/25/81/400182581.db2.gz CIIIUAOFQLZEEJ-NZSAHSFTSA-N 1 1 317.477 3.252 10 30 DGEEMO C#CCC[NH+]1CCN(c2ccc3c(Cl)ccnc3c2F)CC1 ZINC000091480571 400122751 /nfs/dbraw/zinc/12/27/51/400122751.db2.gz JQHXLSOHZQDRRY-UHFFFAOYSA-N 1 1 317.795 3.173 10 30 DGEEMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000066853088 400124440 /nfs/dbraw/zinc/12/44/40/400124440.db2.gz LHLHPVLHCZHIPL-OXQOHEQNSA-N 1 1 322.408 3.399 10 30 DGEEMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000066853088 400124446 /nfs/dbraw/zinc/12/44/46/400124446.db2.gz LHLHPVLHCZHIPL-OXQOHEQNSA-N 1 1 322.408 3.399 10 30 DGEEMO C=CC[C@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000617042874 400291282 /nfs/dbraw/zinc/29/12/82/400291282.db2.gz WMKINIMSPQAGJH-LSDHHAIUSA-N 1 1 301.434 3.013 10 30 DGEEMO C[C@H]([NH2+]Cc1csc(-c2cnn(C)c2)n1)c1ccc(C#N)cc1 ZINC000611381643 400387631 /nfs/dbraw/zinc/38/76/31/400387631.db2.gz WGBLPMDISIUUFU-LBPRGKRZSA-N 1 1 323.425 3.266 10 30 DGEEMO C=CCN1CC[C@H]([N@@H+](C)CCc2ccc(C(C)(C)C)cc2)C1=O ZINC000580984155 400349491 /nfs/dbraw/zinc/34/94/91/400349491.db2.gz IRRYUZFUVJNXSC-SFHVURJKSA-N 1 1 314.473 3.245 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000125380161 400482204 /nfs/dbraw/zinc/48/22/04/400482204.db2.gz WPVWYNJOCZSCRB-GOSISDBHSA-N 1 1 315.461 3.259 10 30 DGEEMO Cc1ccnc(N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c1C#N ZINC000612085347 400489670 /nfs/dbraw/zinc/48/96/70/400489670.db2.gz ZQTWBSFNZCFEDT-QGZVFWFLSA-N 1 1 317.396 3.391 10 30 DGEEMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C(=O)OC)c1cccc(OC)c1 ZINC000602903860 400601904 /nfs/dbraw/zinc/60/19/04/400601904.db2.gz UNZREHQMSFYNEH-HLLBOEOZSA-N 1 1 301.386 3.092 10 30 DGEEMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C(=O)OC)c1cccc(OC)c1 ZINC000602903860 400601915 /nfs/dbraw/zinc/60/19/15/400601915.db2.gz UNZREHQMSFYNEH-HLLBOEOZSA-N 1 1 301.386 3.092 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)N(C)Cc1ccc(SC)cc1 ZINC000077176951 400692429 /nfs/dbraw/zinc/69/24/29/400692429.db2.gz ZHOLATGHSMOXAI-UHFFFAOYSA-N 1 1 306.475 3.265 10 30 DGEEMO C=CCCCN(C)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000605878290 400886803 /nfs/dbraw/zinc/88/68/03/400886803.db2.gz IPXNNMPGSPNEKC-IYBDPMFKSA-N 1 1 309.498 3.351 10 30 DGEEMO C=CC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625698655 401184393 /nfs/dbraw/zinc/18/43/93/401184393.db2.gz UWYBPJANWVZBPM-AYOQOUSVSA-N 1 1 312.457 3.225 10 30 DGEEMO C=CC[C@H]1CC[N@@H+](Cc2csc(N(C(C)=O)C3CC3)n2)C1 ZINC000625701818 401185354 /nfs/dbraw/zinc/18/53/54/401185354.db2.gz SWGAIFVKZDQQBV-ZDUSSCGKSA-N 1 1 305.447 3.056 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2csc(N(C(C)=O)C3CC3)n2)C1 ZINC000625701818 401185359 /nfs/dbraw/zinc/18/53/59/401185359.db2.gz SWGAIFVKZDQQBV-ZDUSSCGKSA-N 1 1 305.447 3.056 10 30 DGEEMO C=CC[C@H]1CC[N@@H+](Cc2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000625700900 401185821 /nfs/dbraw/zinc/18/58/21/401185821.db2.gz FPNJXFMJYJBADN-LBPRGKRZSA-N 1 1 303.431 3.412 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000625700900 401185826 /nfs/dbraw/zinc/18/58/26/401185826.db2.gz FPNJXFMJYJBADN-LBPRGKRZSA-N 1 1 303.431 3.412 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2nc3sc(C)c(C)c3c(N)n2)C1 ZINC000625703803 401188365 /nfs/dbraw/zinc/18/83/65/401188365.db2.gz SSKUUQYWBGCCSB-GFCCVEGCSA-N 1 1 302.447 3.288 10 30 DGEEMO N#Cc1cccnc1NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000065201897 401259515 /nfs/dbraw/zinc/25/95/15/401259515.db2.gz XWYAMHUNDCQSNW-SFHVURJKSA-N 1 1 306.413 3.420 10 30 DGEEMO C=C1CC(C)(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)C1 ZINC000630825034 401336560 /nfs/dbraw/zinc/33/65/60/401336560.db2.gz CHUGFEDECXIWLE-UHFFFAOYSA-N 1 1 313.376 3.292 10 30 DGEEMO C=C1CC(C)(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000630937379 401357033 /nfs/dbraw/zinc/35/70/33/401357033.db2.gz FNODIIUZFZAPJC-OAHLLOKOSA-N 1 1 314.429 3.375 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000623466173 401524142 /nfs/dbraw/zinc/52/41/42/401524142.db2.gz UQLYUSINLWYAED-IAGOWNOFSA-N 1 1 307.482 3.249 10 30 DGEEMO C=CC(C)(C)CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000628316883 401574966 /nfs/dbraw/zinc/57/49/66/401574966.db2.gz MWPQDRJHUVVRTA-QGZVFWFLSA-N 1 1 315.461 3.012 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000628486112 401606866 /nfs/dbraw/zinc/60/68/66/401606866.db2.gz AWZSSHPEJYCXFT-MJGOQNOKSA-N 1 1 312.457 3.323 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000624544321 401670158 /nfs/dbraw/zinc/67/01/58/401670158.db2.gz MLHFAPCXDFGVOU-DOTOQJQBSA-N 1 1 305.466 3.001 10 30 DGEEMO N#Cc1ccc([C@H](O)C[N@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000186151232 165029219 /nfs/dbraw/zinc/02/92/19/165029219.db2.gz VYBBNBGYGXUGBV-LJQANCHMSA-N 1 1 304.393 3.139 10 30 DGEEMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000190040401 165188051 /nfs/dbraw/zinc/18/80/51/165188051.db2.gz GIVGHZQFVRKYFY-XWIAVFTESA-N 1 1 312.438 3.389 10 30 DGEEMO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195358659 165366959 /nfs/dbraw/zinc/36/69/59/165366959.db2.gz YICIHGZEVBJYGU-OAHLLOKOSA-N 1 1 313.426 3.273 10 30 DGEEMO N#Cc1ccc(OCC[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000195354364 165367967 /nfs/dbraw/zinc/36/79/67/165367967.db2.gz YOOJUQQVEFQISN-HNNXBMFYSA-N 1 1 313.426 3.273 10 30 DGEEMO Fc1ccc(C#CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246963975 432184912 /nfs/dbraw/zinc/18/49/12/432184912.db2.gz VBDXVRCSYVBSCH-PXNSSMCTSA-N 1 1 312.432 3.126 10 30 DGEEMO COc1ccc([C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2nccn2C)cc1 ZINC000185881367 228399943 /nfs/dbraw/zinc/39/99/43/228399943.db2.gz PZSYSSUYHWACTH-ZVZYQTTQSA-N 1 1 324.428 3.190 10 30 DGEEMO N#C[C@@H]1CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000342774691 229117216 /nfs/dbraw/zinc/11/72/16/229117216.db2.gz DVVYBBXJPLTZIS-FCFHUKJJSA-N 1 1 309.457 3.464 10 30 DGEEMO N#Cc1cc(C[N@H+]2CC[C@H](n3cnc4c3CCCC4)C2)ccc1F ZINC000299753756 229399686 /nfs/dbraw/zinc/39/96/86/229399686.db2.gz ZFUIZGPHJOLNDX-INIZCTEOSA-N 1 1 324.403 3.220 10 30 DGEEMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)cc1 ZINC000376672857 229593335 /nfs/dbraw/zinc/59/33/35/229593335.db2.gz OZWZHVYPBIDTMH-DNVCBOLYSA-N 1 1 324.428 3.438 10 30 DGEEMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(C#N)nn2)cc1 ZINC000301974341 230013910 /nfs/dbraw/zinc/01/39/10/230013910.db2.gz VKTROIGDYIDRID-GFCCVEGCSA-N 1 1 304.357 3.016 10 30 DGEEMO C=C[C@@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000270364158 432237182 /nfs/dbraw/zinc/23/71/82/432237182.db2.gz YJCSEQNDAPZHQK-UXDRXVOSSA-N 1 1 312.457 3.478 10 30 DGEEMO C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000358571698 267162675 /nfs/dbraw/zinc/16/26/75/267162675.db2.gz PITFLNSDIJAIRP-KFWWJZLASA-N 1 1 303.425 3.468 10 30 DGEEMO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)N1CCC[C@@H](C)C1 ZINC000358571698 267162677 /nfs/dbraw/zinc/16/26/77/267162677.db2.gz PITFLNSDIJAIRP-KFWWJZLASA-N 1 1 303.425 3.468 10 30 DGEEMO O[C@@]12CCCC[C@@H]1C[N@@H+](CC#Cc1cccc(Cl)c1)CC2 ZINC000157185267 275056329 /nfs/dbraw/zinc/05/63/29/275056329.db2.gz YDGKDRVOZGEVNR-SJLPKXTDSA-N 1 1 303.833 3.319 10 30 DGEEMO N#Cc1ccc(OCCC[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114483698 431389769 /nfs/dbraw/zinc/38/97/69/431389769.db2.gz HPZRBLGQHZHASV-SFHVURJKSA-N 1 1 310.401 3.277 10 30 DGEEMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116294622 431498181 /nfs/dbraw/zinc/49/81/81/431498181.db2.gz HCQZPQDVYFPYPV-XJKSGUPXSA-N 1 1 309.369 3.315 10 30 DGEEMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116294622 431498186 /nfs/dbraw/zinc/49/81/86/431498186.db2.gz HCQZPQDVYFPYPV-XJKSGUPXSA-N 1 1 309.369 3.315 10 30 DGEEMO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)c1 ZINC000123014758 431852777 /nfs/dbraw/zinc/85/27/77/431852777.db2.gz ROMXXRKEXKTKDV-WMZOPIPTSA-N 1 1 324.428 3.320 10 30 DGEEMO Cc1cccc(NC[C@@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)n1 ZINC000092813451 431911523 /nfs/dbraw/zinc/91/15/23/431911523.db2.gz JDWKMTCTYKRSOR-INIZCTEOSA-N 1 1 300.450 3.454 10 30 DGEEMO C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)CCN1C ZINC000093644150 431916430 /nfs/dbraw/zinc/91/64/30/431916430.db2.gz DDVRKJJYBZJMKZ-FUHWJXTLSA-N 1 1 315.461 3.284 10 30 DGEEMO C[C@H]1C[C@H](N(C)Cc2cccc(OCCCC#N)c2)CC[N@@H+]1C ZINC000093644150 431916433 /nfs/dbraw/zinc/91/64/33/431916433.db2.gz DDVRKJJYBZJMKZ-FUHWJXTLSA-N 1 1 315.461 3.284 10 30 DGEEMO C[C@H]1C[C@H](N(C)Cc2cccc(OCCCC#N)c2)CC[N@H+]1C ZINC000093644150 431916436 /nfs/dbraw/zinc/91/64/36/431916436.db2.gz DDVRKJJYBZJMKZ-FUHWJXTLSA-N 1 1 315.461 3.284 10 30 DGEEMO C#CCOc1ccccc1C[N@@H+](C)CCc1ncc(C)s1 ZINC000093807304 431916644 /nfs/dbraw/zinc/91/66/44/431916644.db2.gz AEDZXSPJQFTQOD-UHFFFAOYSA-N 1 1 300.427 3.138 10 30 DGEEMO C=CCOc1cccc(C[N@@H+]2CCC[C@H](NC(=O)CCC)C2)c1 ZINC000124269033 431887669 /nfs/dbraw/zinc/88/76/69/431887669.db2.gz VEWKNXXZMFJCQZ-KRWDZBQOSA-N 1 1 316.445 3.132 10 30 DGEEMO C=C[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000248062664 432267014 /nfs/dbraw/zinc/26/70/14/432267014.db2.gz PIZMOBZUZVCDMW-NZSAHSFTSA-N 1 1 312.457 3.289 10 30 DGEEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192009049 432321172 /nfs/dbraw/zinc/32/11/72/432321172.db2.gz LWWHDYIVCXDFSU-QGZVFWFLSA-N 1 1 312.392 3.385 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1OC ZINC000174221291 432330533 /nfs/dbraw/zinc/33/05/33/432330533.db2.gz QWJGNIIXRUINHS-ZIAGYGMSSA-N 1 1 320.408 3.074 10 30 DGEEMO C(#Cc1ccccc1)C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000192134542 432335569 /nfs/dbraw/zinc/33/55/69/432335569.db2.gz YDOTZKIUXLOLKY-MSOLQXFVSA-N 1 1 301.455 3.025 10 30 DGEEMO CC[N@@H+](C[C@H](O)COC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000249739809 432355537 /nfs/dbraw/zinc/35/55/37/432355537.db2.gz HXKSBTCRYDBXBN-PBHICJAKSA-N 1 1 304.434 3.117 10 30 DGEEMO CO[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)CC[C@H]1C ZINC000191894887 432310949 /nfs/dbraw/zinc/31/09/49/432310949.db2.gz JEOOTPBIUNTGOG-ABAIWWIYSA-N 1 1 323.234 3.178 10 30 DGEEMO CO[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)CC[C@H]1C ZINC000191894887 432310955 /nfs/dbraw/zinc/31/09/55/432310955.db2.gz JEOOTPBIUNTGOG-ABAIWWIYSA-N 1 1 323.234 3.178 10 30 DGEEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000176267636 432506331 /nfs/dbraw/zinc/50/63/31/432506331.db2.gz FIUKJFHNMTYJDK-AWEZNQCLSA-N 1 1 320.824 3.160 10 30 DGEEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000193282961 432463050 /nfs/dbraw/zinc/46/30/50/432463050.db2.gz OZEMLVNTYMBNFP-VXGBXAGGSA-N 1 1 315.373 3.347 10 30 DGEEMO CC(C)[N@@H+](CCOc1ccccc1C#N)CCc1nccs1 ZINC000159886967 432699069 /nfs/dbraw/zinc/69/90/69/432699069.db2.gz DBQLLHBSMDXWSD-UHFFFAOYSA-N 1 1 315.442 3.347 10 30 DGEEMO C=C(C)CC[N@@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000274766864 432706435 /nfs/dbraw/zinc/70/64/35/432706435.db2.gz GKMVPOMIPUJYKK-OAHLLOKOSA-N 1 1 323.506 3.324 10 30 DGEEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cccc(C#N)c1C ZINC000178568656 432753942 /nfs/dbraw/zinc/75/39/42/432753942.db2.gz BCFDJCFUIWHGLR-MRXNPFEDSA-N 1 1 323.400 3.068 10 30 DGEEMO C=CCC[C@H](C(=O)N[C@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000189200781 432770249 /nfs/dbraw/zinc/77/02/49/432770249.db2.gz CAUALJYUPFBLQZ-ROUUACIJSA-N 1 1 300.446 3.337 10 30 DGEEMO C=CCC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000189200804 432770759 /nfs/dbraw/zinc/77/07/59/432770759.db2.gz CAUALJYUPFBLQZ-MSOLQXFVSA-N 1 1 300.446 3.337 10 30 DGEEMO Cc1nc([C@@H]2CCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)cs1 ZINC000189784164 432818674 /nfs/dbraw/zinc/81/86/74/432818674.db2.gz NRHDSDYHZZXGGU-IRXDYDNUSA-N 1 1 313.426 3.194 10 30 DGEEMO Cc1cc(C#N)ccc1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000162761158 432833101 /nfs/dbraw/zinc/83/31/01/432833101.db2.gz WYYFVSHVXKFQIP-AWEZNQCLSA-N 1 1 313.445 3.107 10 30 DGEEMO CC(C)c1nc(C2(NC(=O)[C@@H]3CCC[N@@H+]3C)CCCC2)no1 ZINC000330074686 432892294 /nfs/dbraw/zinc/89/22/94/432892294.db2.gz FSUUSVXKLGAYOI-LBPRGKRZSA-N 1 1 306.410 3.013 10 30 DGEEMO CC(C)c1nc(C2(NC(=O)[C@@H]3CCC[N@H+]3C)CCCC2)no1 ZINC000330074686 432892296 /nfs/dbraw/zinc/89/22/96/432892296.db2.gz FSUUSVXKLGAYOI-LBPRGKRZSA-N 1 1 306.410 3.013 10 30 DGEEMO C=CC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245547478 432843093 /nfs/dbraw/zinc/84/30/93/432843093.db2.gz FCALLUCPUZILIX-MAZHCROVSA-N 1 1 321.852 3.349 10 30 DGEEMO C=CC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245547478 432843095 /nfs/dbraw/zinc/84/30/95/432843095.db2.gz FCALLUCPUZILIX-MAZHCROVSA-N 1 1 321.852 3.349 10 30 DGEEMO C#CCC(CC#C)C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000291306873 433232412 /nfs/dbraw/zinc/23/24/12/433232412.db2.gz XGBDWOCXHPDXFH-UHFFFAOYSA-N 1 1 305.381 3.090 10 30 DGEEMO C=CCCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000448028514 433352661 /nfs/dbraw/zinc/35/26/61/433352661.db2.gz DDJZTUYWHHFBDF-HOCLYGCPSA-N 1 1 321.490 3.396 10 30 DGEEMO C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000425982953 433396007 /nfs/dbraw/zinc/39/60/07/433396007.db2.gz YVNMDYISZVDORE-KZNAEPCWSA-N 1 1 313.445 3.182 10 30 DGEEMO N#Cc1ccc(N2CC[N@H+]3CCCC[C@H]3C2)cc1C(F)(F)F ZINC000301225177 433460402 /nfs/dbraw/zinc/46/04/02/433460402.db2.gz FTIOZKIMESHNBL-AWEZNQCLSA-N 1 1 309.335 3.252 10 30 DGEEMO C[C@@H]1C[N@H+](CCCNc2cc(C#N)nc3ccccc32)C[C@H](C)O1 ZINC000301339918 433513275 /nfs/dbraw/zinc/51/32/75/433513275.db2.gz HZCFAKHRMJEZNU-GASCZTMLSA-N 1 1 324.428 3.018 10 30 DGEEMO C=CCOc1ccc(C[NH2+]Cc2ncnn2-c2ccccc2)cc1 ZINC000355213516 433540253 /nfs/dbraw/zinc/54/02/53/433540253.db2.gz FTTLZLOZGSHVMK-UHFFFAOYSA-N 1 1 320.396 3.122 10 30 DGEEMO C=CCSc1ccccc1C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000362388443 433682124 /nfs/dbraw/zinc/68/21/24/433682124.db2.gz HDDBXMADUPZEDN-CQSZACIVSA-N 1 1 304.459 3.036 10 30 DGEEMO Cc1cc(C#N)cc(NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)n1 ZINC000343028393 433771304 /nfs/dbraw/zinc/77/13/04/433771304.db2.gz SJPMEHNWVQEERM-FQEVSTJZSA-N 1 1 320.440 3.728 10 30 DGEEMO C=CC[C@@H](CO)Nc1cc[nH+]c2ccc(Br)cc12 ZINC000302139616 433812446 /nfs/dbraw/zinc/81/24/46/433812446.db2.gz OHPNDVAUCZVJFA-NSHDSACASA-N 1 1 307.191 3.346 10 30 DGEEMO C#CCC(C)(C)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000376956288 433840834 /nfs/dbraw/zinc/84/08/34/433840834.db2.gz RHOISSSKXYIBKQ-QGZVFWFLSA-N 1 1 312.457 3.159 10 30 DGEEMO C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000363315503 434019809 /nfs/dbraw/zinc/01/98/09/434019809.db2.gz WKEYFSHYWGAXSY-CYBMUJFWSA-N 1 1 318.383 3.218 10 30 DGEEMO C=CC[C@H](CC)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000346178574 434172600 /nfs/dbraw/zinc/17/26/00/434172600.db2.gz QINSWFLEOJZXFQ-YESZJQIVSA-N 1 1 301.434 3.086 10 30 DGEEMO CC(=O)Nc1ccn([C@H]2CC[N@@H+](CCc3ccccc3F)C2)n1 ZINC000328617273 434291667 /nfs/dbraw/zinc/29/16/67/434291667.db2.gz CPRNITDGFNUCSH-HNNXBMFYSA-N 1 1 316.380 3.120 10 30 DGEEMO CC(=O)Nc1ccn([C@H]2CC[N@H+](Cc3nc(C)c(C)s3)C2)n1 ZINC000328622908 434291828 /nfs/dbraw/zinc/29/18/28/434291828.db2.gz ITEIKBLOCDPMHT-ZDUSSCGKSA-N 1 1 319.434 3.011 10 30 DGEEMO CC(=O)Nc1ccn([C@H]2CC[N@@H+](Cc3nc(C)c(C)s3)C2)n1 ZINC000328622908 434291837 /nfs/dbraw/zinc/29/18/37/434291837.db2.gz ITEIKBLOCDPMHT-ZDUSSCGKSA-N 1 1 319.434 3.011 10 30 DGEEMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c(C)o1 ZINC000328627720 434293572 /nfs/dbraw/zinc/29/35/72/434293572.db2.gz MZQCTAFWHAYOAD-RDJZCZTQSA-N 1 1 313.401 3.289 10 30 DGEEMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328652909 434296570 /nfs/dbraw/zinc/29/65/70/434296570.db2.gz KESZDKBJKOIIIM-QLFBSQMISA-N 1 1 309.454 3.353 10 30 DGEEMO C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000359252372 434416314 /nfs/dbraw/zinc/41/63/14/434416314.db2.gz LGCCZXVVCKZGOA-OWCLPIDISA-N 1 1 317.481 3.041 10 30 DGEEMO C=CCOc1ccc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000359455085 434418777 /nfs/dbraw/zinc/41/87/77/434418777.db2.gz FDSNYLWLRUJZSQ-KRWDZBQOSA-N 1 1 316.445 3.132 10 30 DGEEMO C=CCOc1ccccc1CNC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527807063 435015841 /nfs/dbraw/zinc/01/58/41/435015841.db2.gz LUIQOMJKQSTJMA-SFHVURJKSA-N 1 1 300.446 3.358 10 30 DGEEMO C=CCOc1ccccc1CNC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527807063 435015843 /nfs/dbraw/zinc/01/58/43/435015843.db2.gz LUIQOMJKQSTJMA-SFHVURJKSA-N 1 1 300.446 3.358 10 30 DGEEMO C=CCCN(C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000467011685 435104603 /nfs/dbraw/zinc/10/46/03/435104603.db2.gz BEPRZOZLHRDGLU-GOSISDBHSA-N 1 1 315.461 3.259 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000535806057 435353719 /nfs/dbraw/zinc/35/37/19/435353719.db2.gz CDAQGQXKMGQDMG-FUHWJXTLSA-N 1 1 301.430 3.500 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCN(CC)C[C@@H]2C)cc1 ZINC000536681789 435402211 /nfs/dbraw/zinc/40/22/11/435402211.db2.gz ZQIUSMJIZLVOLN-LPHOPBHVSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(CC)C[C@@H]2C)cc1 ZINC000536681789 435402215 /nfs/dbraw/zinc/40/22/15/435402215.db2.gz ZQIUSMJIZLVOLN-LPHOPBHVSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1ccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000536681789 435402221 /nfs/dbraw/zinc/40/22/21/435402221.db2.gz ZQIUSMJIZLVOLN-LPHOPBHVSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1ccc(CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000536681789 435402225 /nfs/dbraw/zinc/40/22/25/435402225.db2.gz ZQIUSMJIZLVOLN-LPHOPBHVSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCCC[N@H+](C)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000537517777 435446019 /nfs/dbraw/zinc/44/60/19/435446019.db2.gz UBOFPJAULHOXRJ-HNNXBMFYSA-N 1 1 310.800 3.482 10 30 DGEEMO C=CC[N@H+](CCc1ccco1)C[C@H](O)COc1ccc(C)cc1 ZINC000537613873 435454701 /nfs/dbraw/zinc/45/47/01/435454701.db2.gz PCFCRKDIXRUDQD-KRWDZBQOSA-N 1 1 315.413 3.058 10 30 DGEEMO CC[C@@H]1CN(c2ccncc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000547834842 435650760 /nfs/dbraw/zinc/65/07/60/435650760.db2.gz BMUXJLYMJJWPNP-GOSISDBHSA-N 1 1 306.413 3.054 10 30 DGEEMO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH+]1CCN(CC#N)CC1 ZINC000518836530 335393624 /nfs/dbraw/zinc/39/36/24/335393624.db2.gz FKYCKZWWYUKFGK-KAMYIIQDSA-N 1 1 323.362 3.250 10 30 DGEEMO C[C@@H]1CN(c2cc[nH+]c3[nH]cc(-c4cccc(C#N)c4)c32)CCO1 ZINC000584598874 337370637 /nfs/dbraw/zinc/37/06/37/337370637.db2.gz PKVURXVLRYHLLM-CYBMUJFWSA-N 1 1 318.380 3.327 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000499255733 340033487 /nfs/dbraw/zinc/03/34/87/340033487.db2.gz ZEFOQCXLAXHWBI-IAGOWNOFSA-N 1 1 303.446 3.480 10 30 DGEEMO C=CCCc1ccccc1NC(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000505011176 340158731 /nfs/dbraw/zinc/15/87/31/340158731.db2.gz RDGBJUUTPKCGHE-OAHLLOKOSA-N 1 1 301.434 3.269 10 30 DGEEMO C=CCCc1ccccc1NC(=O)NCC[N@H+](CC)C1CC1 ZINC000505034095 340159520 /nfs/dbraw/zinc/15/95/20/340159520.db2.gz AKJNRFUGXKDXIP-UHFFFAOYSA-N 1 1 301.434 3.411 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N1CC[NH2+][C@@H](c2ccc(CC)cc2)C1 ZINC000505470098 340169190 /nfs/dbraw/zinc/16/91/90/340169190.db2.gz XMMWNBQOHLWPOI-MAUKXSAKSA-N 1 1 300.446 3.324 10 30 DGEEMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000542248771 341001861 /nfs/dbraw/zinc/00/18/61/341001861.db2.gz WQGZDCYUPTUBOS-CVEARBPZSA-N 1 1 303.450 3.006 10 30 DGEEMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000542248777 341001956 /nfs/dbraw/zinc/00/19/56/341001956.db2.gz WQGZDCYUPTUBOS-HOTGVXAUSA-N 1 1 303.450 3.006 10 30 DGEEMO C=CCNC(=O)C[N@H+]1CCCCC[C@H]1/C=C\c1cccs1 ZINC000543988872 341065395 /nfs/dbraw/zinc/06/53/95/341065395.db2.gz KNBCWOMZMFSZSM-KVPUOBJLSA-N 1 1 304.459 3.308 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(Br)cc1 ZINC000076734984 341213248 /nfs/dbraw/zinc/21/32/48/341213248.db2.gz JAWOKGYMZREVSI-UHFFFAOYSA-N 1 1 311.223 3.286 10 30 DGEEMO C=CCOc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000552268477 341382401 /nfs/dbraw/zinc/38/24/01/341382401.db2.gz KVMFBCVMPYSRLS-KSZLIROESA-N 1 1 300.446 3.214 10 30 DGEEMO C=CCOc1ccccc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000552268477 341382402 /nfs/dbraw/zinc/38/24/02/341382402.db2.gz KVMFBCVMPYSRLS-KSZLIROESA-N 1 1 300.446 3.214 10 30 DGEEMO C=CCC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000249534447 341398988 /nfs/dbraw/zinc/39/89/88/341398988.db2.gz CAUALJYUPFBLQZ-ZWKOTPCHSA-N 1 1 300.446 3.337 10 30 DGEEMO C[C@H]1C[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H](C)O1 ZINC000127027629 533959431 /nfs/dbraw/zinc/95/94/31/533959431.db2.gz WZOVFZLYFJMYQG-HOTGVXAUSA-N 1 1 324.428 3.073 10 30 DGEEMO N#C[C@H]1CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000342774687 534749978 /nfs/dbraw/zinc/74/99/78/534749978.db2.gz DVVYBBXJPLTZIS-DZJYIKFMSA-N 1 1 309.457 3.464 10 30 DGEEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000180125137 534781470 /nfs/dbraw/zinc/78/14/70/534781470.db2.gz CXNAKRDECKAQOZ-YJBOKZPZSA-N 1 1 324.428 3.147 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1OC ZINC000449681302 534882479 /nfs/dbraw/zinc/88/24/79/534882479.db2.gz DNQUKZVSXZJBMG-LJQANCHMSA-N 1 1 317.429 3.263 10 30 DGEEMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCO[C@H](C)C1 ZINC000352691732 526349416 /nfs/dbraw/zinc/34/94/16/526349416.db2.gz NDXZSUOLZPZXQE-GDBMZVCRSA-N 1 1 304.390 3.398 10 30 DGEEMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCO[C@@H](C)C1 ZINC000352691735 526350064 /nfs/dbraw/zinc/35/00/64/526350064.db2.gz NDXZSUOLZPZXQE-HOCLYGCPSA-N 1 1 304.390 3.398 10 30 DGEEMO C=C(C)CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C)ccc1OC ZINC000351874373 526444045 /nfs/dbraw/zinc/44/40/45/526444045.db2.gz ITLKGALWUMJHOX-INIZCTEOSA-N 1 1 302.418 3.373 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412692870 526695251 /nfs/dbraw/zinc/69/52/51/526695251.db2.gz DVGYZSNLWGZQKS-IAGOWNOFSA-N 1 1 300.446 3.322 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412692870 526695256 /nfs/dbraw/zinc/69/52/56/526695256.db2.gz DVGYZSNLWGZQKS-IAGOWNOFSA-N 1 1 300.446 3.322 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412692869 526708479 /nfs/dbraw/zinc/70/84/79/526708479.db2.gz DVGYZSNLWGZQKS-DLBZAZTESA-N 1 1 300.446 3.322 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412692869 526708484 /nfs/dbraw/zinc/70/84/84/526708484.db2.gz DVGYZSNLWGZQKS-DLBZAZTESA-N 1 1 300.446 3.322 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000185468131 526712049 /nfs/dbraw/zinc/71/20/49/526712049.db2.gz XUBSSABJDIAQRC-PKOBYXMFSA-N 1 1 314.473 3.270 10 30 DGEEMO C=CCOc1ccc(C[N@H+](CCCO)Cc2ccccn2)cc1 ZINC000349320464 526862590 /nfs/dbraw/zinc/86/25/90/526862590.db2.gz VQWBVAAVBULOFU-UHFFFAOYSA-N 1 1 312.413 3.031 10 30 DGEEMO C=C1CC[NH+](CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)CC1 ZINC000342004240 526901696 /nfs/dbraw/zinc/90/16/96/526901696.db2.gz NNPLHUDKJUMGKY-KRWDZBQOSA-N 1 1 312.457 3.466 10 30 DGEEMO C=CCOc1ccccc1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000353504901 526937024 /nfs/dbraw/zinc/93/70/24/526937024.db2.gz VERUJKPNWRBOKL-QGZVFWFLSA-N 1 1 316.445 3.132 10 30 DGEEMO C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000412839522 527221408 /nfs/dbraw/zinc/22/14/08/527221408.db2.gz LUWAWKUAAZJZGQ-RYQLBKOJSA-N 1 1 300.446 3.020 10 30 DGEEMO C=CCn1c([C@H](C)CC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000351078896 527355765 /nfs/dbraw/zinc/35/57/65/527355765.db2.gz ZKRAFKCNQIGFTO-BZUAXINKSA-N 1 1 319.497 3.144 10 30 DGEEMO C=CCC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000159125668 527478856 /nfs/dbraw/zinc/47/88/56/527478856.db2.gz ZBKNKXKUUBTZPX-IRXDYDNUSA-N 1 1 301.434 3.087 10 30 DGEEMO CCCCC[N@@H+](CCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000156652319 528180911 /nfs/dbraw/zinc/18/09/11/528180911.db2.gz XLJKHZWRXFKIQB-UHFFFAOYSA-N 1 1 322.474 3.233 10 30 DGEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC2CCCC2)C1 ZINC000329579021 546487483 /nfs/dbraw/zinc/48/74/83/546487483.db2.gz KRQJYRKOVZCCRW-OAHLLOKOSA-N 1 1 304.438 3.187 10 30 DGEEMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C1(c2cccc(C)c2)CCC1 ZINC000729808428 575263457 /nfs/dbraw/zinc/26/34/57/575263457.db2.gz BNOYFVYOYMGZCN-SFHVURJKSA-N 1 1 311.425 3.058 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000121098376 622130741 /nfs/dbraw/zinc/13/07/41/622130741.db2.gz VZLSBHUDFDWVPD-UHFFFAOYSA-N 1 1 311.769 3.085 10 30 DGEEMO CC(C)C[N@H+]1CCC[C@@H]1CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000130759967 625897708 /nfs/dbraw/zinc/89/77/08/625897708.db2.gz KDZYALKVVLSEFK-FUHWJXTLSA-N 1 1 315.461 3.187 10 30 DGEEMO CC(C)CN1CCC[C@@H]1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000130759967 625897709 /nfs/dbraw/zinc/89/77/09/625897709.db2.gz KDZYALKVVLSEFK-FUHWJXTLSA-N 1 1 315.461 3.187 10 30 DGEEMO C#C[C@@H]([NH2+]Cc1snc(OC)c1Br)C(C)(C)C ZINC000702246122 660717068 /nfs/dbraw/zinc/71/70/68/660717068.db2.gz MKJNZTRJPGAMBK-SECBINFHSA-N 1 1 317.252 3.052 10 30 DGEEMO C=C[C@](C)(CCOC)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187594292 655552010 /nfs/dbraw/zinc/55/20/10/655552010.db2.gz HRNYCDDIPPUNMZ-IEBWSBKVSA-N 1 1 317.429 3.033 10 30 DGEEMO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc2c(c1)OCCO2 ZINC000181752041 656269459 /nfs/dbraw/zinc/26/94/59/656269459.db2.gz XOLPUIGMCQQUPP-GFCCVEGCSA-N 1 1 312.344 3.319 10 30 DGEEMO C=CCc1cc(CN(C)C[C@H]2CCC[N@@H+]2CC)c(O)c(OC)c1 ZINC000164445446 657304506 /nfs/dbraw/zinc/30/45/06/657304506.db2.gz XQGGOUHBQJSCJT-QGZVFWFLSA-N 1 1 318.461 3.045 10 30 DGEEMO C=CCc1cc(C[N@@H+](C)C[C@H]2CCCN2CC)c(O)c(OC)c1 ZINC000164445446 657304511 /nfs/dbraw/zinc/30/45/11/657304511.db2.gz XQGGOUHBQJSCJT-QGZVFWFLSA-N 1 1 318.461 3.045 10 30 DGEEMO C=CCc1cc(C[N@H+](C)C[C@H]2CCCN2CC)c(O)c(OC)c1 ZINC000164445446 657304517 /nfs/dbraw/zinc/30/45/17/657304517.db2.gz XQGGOUHBQJSCJT-QGZVFWFLSA-N 1 1 318.461 3.045 10 30 DGEEMO CC[N@@H+](CCCOc1ccc(C#N)cc1)CCc1nccs1 ZINC000179037605 657432203 /nfs/dbraw/zinc/43/22/03/657432203.db2.gz IUGZJOMQKOHZTI-UHFFFAOYSA-N 1 1 315.442 3.348 10 30 DGEEMO Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)cc1 ZINC000156478518 658923848 /nfs/dbraw/zinc/92/38/48/658923848.db2.gz RVEFPFMLBPFCPO-UZLBHIALSA-N 1 1 308.425 3.463 10 30 DGEEMO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(OC)c2)c1 ZINC000175586302 659925770 /nfs/dbraw/zinc/92/57/70/659925770.db2.gz PNDQHVFJZIRHFI-OAHLLOKOSA-N 1 1 322.408 3.308 10 30 DGEEMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2cccc(OC)c2)c1 ZINC000175586302 659925771 /nfs/dbraw/zinc/92/57/71/659925771.db2.gz PNDQHVFJZIRHFI-OAHLLOKOSA-N 1 1 322.408 3.308 10 30 DGEEMO CC(C)[N@@H+](CCCOc1ccc(C#N)cc1)C1CCOCC1 ZINC000077323872 662021425 /nfs/dbraw/zinc/02/14/25/662021425.db2.gz ZBBXVWGTDKENEE-UHFFFAOYSA-N 1 1 302.418 3.217 10 30 DGEEMO C#CC[N@H+](CCCS(=O)(=O)c1cccc(C)c1)C1CCCC1 ZINC000155338206 685097301 /nfs/dbraw/zinc/09/73/01/685097301.db2.gz CYDXBXOSEPEXNE-UHFFFAOYSA-N 1 1 319.470 3.037 10 30 DGEEMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC#Cc1ccccc1 ZINC000389859731 685197202 /nfs/dbraw/zinc/19/72/02/685197202.db2.gz FWOUREALCBAIKV-WIYYLYMNSA-N 1 1 304.437 3.148 10 30 DGEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC#Cc1ccccc1 ZINC000389859731 685197206 /nfs/dbraw/zinc/19/72/06/685197206.db2.gz FWOUREALCBAIKV-WIYYLYMNSA-N 1 1 304.437 3.148 10 30 DGEEMO C=CCN(CC=C)[C@H](C[NH2+]Cc1cn2ccccc2n1)C(C)C ZINC000150950642 1202590921 /nfs/dbraw/zinc/59/09/21/1202590921.db2.gz KPSDUYCOWLJGPD-GOSISDBHSA-N 1 1 312.461 3.123 10 30 DGEEMO C[N@@H+](CCCOCc1ccccc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000402404892 1094011630 /nfs/dbraw/zinc/01/16/30/1094011630.db2.gz TXYFALQBWXNAIQ-HXUWFJFHSA-N 1 1 324.424 3.130 10 30 DGEEMO C[N@H+](Cc1cc(Br)cs1)Cc1cncc(C#N)c1 ZINC000721546291 1097500230 /nfs/dbraw/zinc/50/02/30/1097500230.db2.gz VNYTUMXBAGQMIO-UHFFFAOYSA-N 1 1 322.231 3.409 10 30 DGEEMO C[N@@H+](Cc1cc(Br)cs1)Cc1cncc(C#N)c1 ZINC000721546291 1097500233 /nfs/dbraw/zinc/50/02/33/1097500233.db2.gz VNYTUMXBAGQMIO-UHFFFAOYSA-N 1 1 322.231 3.409 10 30 DGEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000184056134 529407451 /nfs/dbraw/zinc/40/74/51/529407451.db2.gz FHJYRAKSUMBDAI-CGTJXYLNSA-N 1 1 313.445 3.036 10 30 DGEEMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000092587943 185327695 /nfs/dbraw/zinc/32/76/95/185327695.db2.gz VPMAEYIUDHOQNN-HZPDHXFCSA-N 1 1 301.434 3.238 10 30 DGEEMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000092704849 185334158 /nfs/dbraw/zinc/33/41/58/185334158.db2.gz TZVHNVWULLQBCF-HNNXBMFYSA-N 1 1 317.433 3.060 10 30 DGEEMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000131906627 432041284 /nfs/dbraw/zinc/04/12/84/432041284.db2.gz RJZDCGNDLOGUMF-LJQANCHMSA-N 1 1 309.413 3.159 10 30 DGEEMO CC(C)Oc1ccc(NC(=O)c2c[nH+]ccc2N(C)C)cc1C#N ZINC000183999762 199661550 /nfs/dbraw/zinc/66/15/50/199661550.db2.gz ISWRSDZRXFFNMK-UHFFFAOYSA-N 1 1 324.384 3.059 10 30 DGEEMO C=CCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474072372 244367113 /nfs/dbraw/zinc/36/71/13/244367113.db2.gz IDMYYQRDWLRJKC-GOSISDBHSA-N 1 1 315.461 3.259 10 30 DGEEMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(C#N)o1 ZINC000093611351 193273903 /nfs/dbraw/zinc/27/39/03/193273903.db2.gz VXRGLIFHDBTPHU-INIZCTEOSA-N 1 1 309.413 3.248 10 30 DGEEMO N#Cc1ccc(CN2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000093769307 193303717 /nfs/dbraw/zinc/30/37/17/193303717.db2.gz XBVZNHSJUDDGSG-UHFFFAOYSA-N 1 1 301.434 3.239 10 30 DGEEMO COc1cc(OC)cc([C@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)c1 ZINC000093837994 193314847 /nfs/dbraw/zinc/31/48/47/193314847.db2.gz NCCAGNZJFBCEEI-ZDUSSCGKSA-N 1 1 312.369 3.158 10 30 DGEEMO CCSCC[C@@H](C)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000093870924 193321615 /nfs/dbraw/zinc/32/16/15/193321615.db2.gz QLSXSYOLFLXGNC-CYBMUJFWSA-N 1 1 302.447 3.169 10 30 DGEEMO C=CCC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000246368791 432123286 /nfs/dbraw/zinc/12/32/86/432123286.db2.gz ZBKNKXKUUBTZPX-DLBZAZTESA-N 1 1 301.434 3.087 10 30 DGEEMO C=CCCC[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494286037 246131949 /nfs/dbraw/zinc/13/19/49/246131949.db2.gz VVSTXMXAHFCGED-UHFFFAOYSA-N 1 1 304.253 3.271 10 30 DGEEMO CCOCC[N@H+]1CCN([C@H](C)c2cccc(C#N)c2)C[C@@H]1CC ZINC000249264329 285065229 /nfs/dbraw/zinc/06/52/29/285065229.db2.gz IMOYDXHVQMQJGL-APWZRJJASA-N 1 1 315.461 3.052 10 30 DGEEMO CCOCCN1CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C[C@@H]1CC ZINC000249264329 285065230 /nfs/dbraw/zinc/06/52/30/285065230.db2.gz IMOYDXHVQMQJGL-APWZRJJASA-N 1 1 315.461 3.052 10 30 DGEEMO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCN1CC(F)F ZINC000249394654 285071208 /nfs/dbraw/zinc/07/12/08/285071208.db2.gz SLWLPJJKOMWRQO-CZUORRHYSA-N 1 1 307.388 3.281 10 30 DGEEMO CC[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCN1CC(F)F ZINC000249394654 285071210 /nfs/dbraw/zinc/07/12/10/285071210.db2.gz SLWLPJJKOMWRQO-CZUORRHYSA-N 1 1 307.388 3.281 10 30 DGEEMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000159237357 197339025 /nfs/dbraw/zinc/33/90/25/197339025.db2.gz CCBNVTPYDPRWMW-AWEZNQCLSA-N 1 1 310.376 3.026 10 30 DGEEMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000159237357 197339027 /nfs/dbraw/zinc/33/90/27/197339027.db2.gz CCBNVTPYDPRWMW-AWEZNQCLSA-N 1 1 310.376 3.026 10 30 DGEEMO COc1cc(C#N)ccc1C[N@@H+](CCc1nccs1)C(C)C ZINC000121586968 195311565 /nfs/dbraw/zinc/31/15/65/195311565.db2.gz GRMFIFOIKGVIDL-UHFFFAOYSA-N 1 1 315.442 3.476 10 30 DGEEMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000091514445 400125366 /nfs/dbraw/zinc/12/53/66/400125366.db2.gz JUWCQPUBONWMOT-KGLIPLIRSA-N 1 1 304.394 3.221 10 30 DGEEMO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000585754743 400137998 /nfs/dbraw/zinc/13/79/98/400137998.db2.gz YTLPUGQCTYMKGC-UHFFFAOYSA-N 1 1 321.424 3.042 10 30 DGEEMO C=CCOc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000092043323 400149095 /nfs/dbraw/zinc/14/90/95/400149095.db2.gz CTQSFRMXZGGGGY-WMZOPIPTSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000092096152 400153888 /nfs/dbraw/zinc/15/38/88/400153888.db2.gz RNAIGNVQRFXWKQ-ZHALLVOQSA-N 1 1 317.429 3.020 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000092096152 400153891 /nfs/dbraw/zinc/15/38/91/400153891.db2.gz RNAIGNVQRFXWKQ-ZHALLVOQSA-N 1 1 317.429 3.020 10 30 DGEEMO C=C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617011930 400274261 /nfs/dbraw/zinc/27/42/61/400274261.db2.gz PJCFSUAVDKUBSF-DOTOQJQBSA-N 1 1 300.446 3.335 10 30 DGEEMO C=CCCC1(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCCC1 ZINC000617417651 400385099 /nfs/dbraw/zinc/38/50/99/400385099.db2.gz AABHHMVNGWABHS-MRXNPFEDSA-N 1 1 315.461 3.397 10 30 DGEEMO C#CC(C)(C)[NH2+]Cc1cc(Br)c(Br)o1 ZINC000069679333 400338973 /nfs/dbraw/zinc/33/89/73/400338973.db2.gz RKVLHCWJGGQSMG-UHFFFAOYSA-N 1 1 321.012 3.306 10 30 DGEEMO C=CCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000617617072 400426745 /nfs/dbraw/zinc/42/67/45/400426745.db2.gz UWEZKDAJPPRMQH-OAHLLOKOSA-N 1 1 301.434 3.186 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000042328575 400429065 /nfs/dbraw/zinc/42/90/65/400429065.db2.gz DLVNPOCZVGQVSC-AWEZNQCLSA-N 1 1 306.837 3.361 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000042328575 400429068 /nfs/dbraw/zinc/42/90/68/400429068.db2.gz DLVNPOCZVGQVSC-AWEZNQCLSA-N 1 1 306.837 3.361 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000076952773 400681751 /nfs/dbraw/zinc/68/17/51/400681751.db2.gz DJNZECSKBLDOHY-WMZOPIPTSA-N 1 1 315.461 3.430 10 30 DGEEMO Cc1ccccc1-n1nccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000619426302 400845082 /nfs/dbraw/zinc/84/50/82/400845082.db2.gz RIYNUJGXNWRNTB-UHFFFAOYSA-N 1 1 320.371 3.481 10 30 DGEEMO C=CCCn1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)nn1 ZINC000593994969 400938136 /nfs/dbraw/zinc/93/81/36/400938136.db2.gz OZASCBAMFXNONQ-SFHVURJKSA-N 1 1 309.417 3.379 10 30 DGEEMO C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000633433313 400949795 /nfs/dbraw/zinc/94/97/95/400949795.db2.gz GAEYXAHBPMDINS-OKZBNKHCSA-N 1 1 300.446 3.020 10 30 DGEEMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000620302928 401050552 /nfs/dbraw/zinc/05/05/52/401050552.db2.gz CYHHSPYDLNBQHM-QRVBRYPASA-N 1 1 310.441 3.218 10 30 DGEEMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000620309324 401052543 /nfs/dbraw/zinc/05/25/43/401052543.db2.gz NZLIJSIMGNANGA-NXHRZFHOSA-N 1 1 302.462 3.351 10 30 DGEEMO C=CC[C@H]1CC[N@@H+](Cc2nc(COc3ccc(F)cc3)no2)C1 ZINC000625704597 401188426 /nfs/dbraw/zinc/18/84/26/401188426.db2.gz VEHGDGHFAUIYAX-ZDUSSCGKSA-N 1 1 317.364 3.186 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2nc(COc3ccc(F)cc3)no2)C1 ZINC000625704597 401188428 /nfs/dbraw/zinc/18/84/28/401188428.db2.gz VEHGDGHFAUIYAX-ZDUSSCGKSA-N 1 1 317.364 3.186 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000625701749 401185233 /nfs/dbraw/zinc/18/52/33/401185233.db2.gz CPBPGOVIFVKMAX-GDBMZVCRSA-N 1 1 309.837 3.116 10 30 DGEEMO C=CC[C@@H]1CC[N@@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000625700439 401185422 /nfs/dbraw/zinc/18/54/22/401185422.db2.gz BUMYJQWPGXSJLU-UYAOXDASSA-N 1 1 314.473 3.176 10 30 DGEEMO C=C1CC(C)(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000631591986 401508901 /nfs/dbraw/zinc/50/89/01/401508901.db2.gz KVTNMWWDJWGTGE-INIZCTEOSA-N 1 1 300.446 3.370 10 30 DGEEMO C=CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000628016367 401512594 /nfs/dbraw/zinc/51/25/94/401512594.db2.gz BQHQJPYPQAWAIU-MSOLQXFVSA-N 1 1 300.446 3.194 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1Cl ZINC000628461283 401601239 /nfs/dbraw/zinc/60/12/39/401601239.db2.gz RTIZBEXGMIIKRO-MAUKXSAKSA-N 1 1 321.848 3.499 10 30 DGEEMO C=CC(C)(C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000623814151 401582362 /nfs/dbraw/zinc/58/23/62/401582362.db2.gz BMHQRPKAWYFTHV-IAGOWNOFSA-N 1 1 315.461 3.333 10 30 DGEEMO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189663128 165172379 /nfs/dbraw/zinc/17/23/79/165172379.db2.gz YNVARRGMZIDYFE-AWEZNQCLSA-N 1 1 321.428 3.042 10 30 DGEEMO CC1(C)C[N@H+](Cc2cnc3ccc(C#N)cn23)CC2(CCCC2)O1 ZINC000191225169 165237786 /nfs/dbraw/zinc/23/77/86/165237786.db2.gz WROJOAILEBGAPB-UHFFFAOYSA-N 1 1 324.428 3.130 10 30 DGEEMO CC1(C)C[N@@H+](Cc2cnc3ccc(C#N)cn23)CC2(CCCC2)O1 ZINC000191225169 165237789 /nfs/dbraw/zinc/23/77/89/165237789.db2.gz WROJOAILEBGAPB-UHFFFAOYSA-N 1 1 324.428 3.130 10 30 DGEEMO C=CCCCCC[N@H+](C)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000150881701 432198945 /nfs/dbraw/zinc/19/89/45/432198945.db2.gz CUZFTRAPIHHXLS-AWEZNQCLSA-N 1 1 320.399 3.466 10 30 DGEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000130840828 196115684 /nfs/dbraw/zinc/11/56/84/196115684.db2.gz ZMIVHTHIYSRGRB-MRXNPFEDSA-N 1 1 323.400 3.186 10 30 DGEEMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000247383458 432226435 /nfs/dbraw/zinc/22/64/35/432226435.db2.gz LGLYGZSKFRAOEI-AOIWGVFYSA-N 1 1 303.446 3.392 10 30 DGEEMO C=CCC[C@H](O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000247434655 432229898 /nfs/dbraw/zinc/22/98/98/432229898.db2.gz NYESCJCVKDUHJH-YESZJQIVSA-N 1 1 307.434 3.275 10 30 DGEEMO N#Cc1ccsc1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000366750629 268302658 /nfs/dbraw/zinc/30/26/58/268302658.db2.gz XJFCMPZUYJNXNU-OAHLLOKOSA-N 1 1 317.458 3.147 10 30 DGEEMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccco1 ZINC000116289583 431498670 /nfs/dbraw/zinc/49/86/70/431498670.db2.gz DZIXXFURIDJGEW-INIZCTEOSA-N 1 1 309.369 3.317 10 30 DGEEMO C=CCCC[N@H+](C)Cc1nc(-c2ccc(OC)cc2OC)no1 ZINC000077176922 431571295 /nfs/dbraw/zinc/57/12/95/431571295.db2.gz LANMWXPUTGDXJI-UHFFFAOYSA-N 1 1 317.389 3.152 10 30 DGEEMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000041888302 431861318 /nfs/dbraw/zinc/86/13/18/431861318.db2.gz WJUZLLYOIUWDGP-UHFFFAOYSA-N 1 1 311.360 3.158 10 30 DGEEMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1nc(C)ccc1O ZINC000092646236 431910481 /nfs/dbraw/zinc/91/04/81/431910481.db2.gz NKDBHUMTXCNZID-UHFFFAOYSA-N 1 1 313.357 3.192 10 30 DGEEMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1nc(C)ccc1O ZINC000092646236 431910483 /nfs/dbraw/zinc/91/04/83/431910483.db2.gz NKDBHUMTXCNZID-UHFFFAOYSA-N 1 1 313.357 3.192 10 30 DGEEMO C#CCCOc1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000092810878 431911466 /nfs/dbraw/zinc/91/14/66/431911466.db2.gz BJRVGLAHLLSMAQ-UHFFFAOYSA-N 1 1 309.413 3.191 10 30 DGEEMO COc1cccc([C@@H]2C[N@H+](CC(C)(C)CCC#N)CCO2)c1 ZINC000093080610 431913610 /nfs/dbraw/zinc/91/36/10/431913610.db2.gz LKVNNYVKSDDNSE-KRWDZBQOSA-N 1 1 302.418 3.398 10 30 DGEEMO COc1cccc([C@@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)c1 ZINC000093080610 431913611 /nfs/dbraw/zinc/91/36/11/431913611.db2.gz LKVNNYVKSDDNSE-KRWDZBQOSA-N 1 1 302.418 3.398 10 30 DGEEMO N#Cc1cccc(OCCC[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000127700963 431978253 /nfs/dbraw/zinc/97/82/53/431978253.db2.gz PDPQTQIVYNKLHO-SFHVURJKSA-N 1 1 310.401 3.277 10 30 DGEEMO CC[N@H+]1CC[C@@H](N(C)CC#Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000125786510 431936121 /nfs/dbraw/zinc/93/61/21/431936121.db2.gz JKMHUVOCLQPBPF-CRAIPNDOSA-N 1 1 304.865 3.354 10 30 DGEEMO N#Cc1ccc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1F ZINC000192034394 432325289 /nfs/dbraw/zinc/32/52/89/432325289.db2.gz HHQSDWMVLREFJI-HNNXBMFYSA-N 1 1 310.376 3.026 10 30 DGEEMO CN(CC#Cc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192049870 432328102 /nfs/dbraw/zinc/32/81/02/432328102.db2.gz LPIYTVOCTJTYRU-JOCHJYFZSA-N 1 1 318.464 3.492 10 30 DGEEMO C=C[C@H](CC(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000153676303 432431318 /nfs/dbraw/zinc/43/13/18/432431318.db2.gz ABNMOKYNDOGEMF-DLBZAZTESA-N 1 1 300.446 3.337 10 30 DGEEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cc(C#N)ccc1C ZINC000176935626 432567414 /nfs/dbraw/zinc/56/74/14/432567414.db2.gz SFECYBSCSRHCPQ-MRXNPFEDSA-N 1 1 323.400 3.068 10 30 DGEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cc(C#N)ccc1C ZINC000176935638 432568226 /nfs/dbraw/zinc/56/82/26/432568226.db2.gz SFECYBSCSRHCPQ-INIZCTEOSA-N 1 1 323.400 3.068 10 30 DGEEMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3cc(C#N)cn3C)c2C1 ZINC000158296791 432641245 /nfs/dbraw/zinc/64/12/45/432641245.db2.gz ZABRPWIUKIQNQO-UHFFFAOYSA-N 1 1 322.412 3.121 10 30 DGEEMO Cc1[nH+]ccn1C[C@H]1CCCN1Cc1ccc(Cl)cc1C#N ZINC000187125732 432646861 /nfs/dbraw/zinc/64/68/61/432646861.db2.gz IFJUZWLKGKBDOE-QGZVFWFLSA-N 1 1 314.820 3.381 10 30 DGEEMO COc1ccccc1CC[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000159860541 432698774 /nfs/dbraw/zinc/69/87/74/432698774.db2.gz NKVZBVKJHRVJLA-UHFFFAOYSA-N 1 1 310.397 3.250 10 30 DGEEMO C=CCc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc(OC)c1O ZINC000245514547 432839138 /nfs/dbraw/zinc/83/91/38/432839138.db2.gz GAEUWHACYPGLOA-IAGOWNOFSA-N 1 1 317.429 3.273 10 30 DGEEMO C=CCc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc(OC)c1O ZINC000245514547 432839141 /nfs/dbraw/zinc/83/91/41/432839141.db2.gz GAEUWHACYPGLOA-IAGOWNOFSA-N 1 1 317.429 3.273 10 30 DGEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc(C#N)o1 ZINC000267265385 432827637 /nfs/dbraw/zinc/82/76/37/432827637.db2.gz LDPSZFNYVUXFAX-BEFAXECRSA-N 1 1 309.413 3.151 10 30 DGEEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccc(C#N)cc1Cl ZINC000162922194 432837582 /nfs/dbraw/zinc/83/75/82/432837582.db2.gz UHTJOEOZNFTHLQ-XJKSGUPXSA-N 1 1 303.837 3.270 10 30 DGEEMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000245735965 432859931 /nfs/dbraw/zinc/85/99/31/432859931.db2.gz KSXOVUMSJICXDJ-KDOFPFPSSA-N 1 1 310.401 3.428 10 30 DGEEMO C=C(CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000288131267 432888670 /nfs/dbraw/zinc/88/86/70/432888670.db2.gz XJWUCSGRYURUSY-SJLPKXTDSA-N 1 1 315.461 3.072 10 30 DGEEMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245659604 432854532 /nfs/dbraw/zinc/85/45/32/432854532.db2.gz PJOFTVDUSMKQJX-QZTJIDSGSA-N 1 1 320.396 3.125 10 30 DGEEMO C=C(C)COc1cc(C[N@H+](CC)[C@H]2CCOC2)ccc1OC ZINC000361251629 433059090 /nfs/dbraw/zinc/05/90/90/433059090.db2.gz MUJFOGMLZKYXPM-INIZCTEOSA-N 1 1 305.418 3.261 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000446711496 433083061 /nfs/dbraw/zinc/08/30/61/433083061.db2.gz MRJDKPJYXMTJMQ-XLIONFOSSA-N 1 1 312.457 3.239 10 30 DGEEMO CN(c1cccc(F)c1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336658676 433173016 /nfs/dbraw/zinc/17/30/16/433173016.db2.gz SCQRMWOWVPLUDY-INIZCTEOSA-N 1 1 309.388 3.408 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CCOC2)cc1OC ZINC000291366436 433233407 /nfs/dbraw/zinc/23/34/07/433233407.db2.gz YYCAUFMLFQPAKB-MRXNPFEDSA-N 1 1 305.418 3.259 10 30 DGEEMO C[C@@H](NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(C#N)cc1F ZINC000447600483 433245951 /nfs/dbraw/zinc/24/59/51/433245951.db2.gz MGWNNLHOUNUMFY-CZUORRHYSA-N 1 1 301.409 3.365 10 30 DGEEMO C[C@@H](NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(C#N)cc1F ZINC000447600483 433245963 /nfs/dbraw/zinc/24/59/63/433245963.db2.gz MGWNNLHOUNUMFY-CZUORRHYSA-N 1 1 301.409 3.365 10 30 DGEEMO C=CCc1cc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc(OC)c1O ZINC000375300375 433419099 /nfs/dbraw/zinc/41/90/99/433419099.db2.gz AGVMPPLZZJOHNC-IBGZPJMESA-N 1 1 317.429 3.132 10 30 DGEEMO C=C(Br)CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282028490 433472579 /nfs/dbraw/zinc/47/25/79/433472579.db2.gz KTVXBKIDGYGKMM-ZDUSSCGKSA-N 1 1 324.266 3.307 10 30 DGEEMO Cc1cc(C#N)cc(NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)n1 ZINC000343028394 433772401 /nfs/dbraw/zinc/77/24/01/433772401.db2.gz SJPMEHNWVQEERM-HXUWFJFHSA-N 1 1 320.440 3.728 10 30 DGEEMO C=CCC(C)(C)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000432074351 433821451 /nfs/dbraw/zinc/82/14/51/433821451.db2.gz BTOJAUKMQNURQG-IRXDYDNUSA-N 1 1 315.461 3.333 10 30 DGEEMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccc(C#N)n3C)c2C1 ZINC000450182296 434016551 /nfs/dbraw/zinc/01/65/51/434016551.db2.gz ZPTGNBWOFZTIIG-UHFFFAOYSA-N 1 1 322.412 3.121 10 30 DGEEMO C=CCCC[C@@H](C)NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416192198 434053263 /nfs/dbraw/zinc/05/32/63/434053263.db2.gz QAMNPIQZDIPNLH-MRXNPFEDSA-N 1 1 300.446 3.296 10 30 DGEEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328634750 434290792 /nfs/dbraw/zinc/29/07/92/434290792.db2.gz BQIDTUJYFNVZPJ-HUUCEWRRSA-N 1 1 309.454 3.353 10 30 DGEEMO Cc1ccsc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328630157 434293639 /nfs/dbraw/zinc/29/36/39/434293639.db2.gz PNTFRDYHOQNVFK-GJZGRUSLSA-N 1 1 315.442 3.449 10 30 DGEEMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328708411 434301209 /nfs/dbraw/zinc/30/12/09/434301209.db2.gz QIYXKMDFIQHEED-BBRMVZONSA-N 1 1 316.380 3.336 10 30 DGEEMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328708411 434301216 /nfs/dbraw/zinc/30/12/16/434301216.db2.gz QIYXKMDFIQHEED-BBRMVZONSA-N 1 1 316.380 3.336 10 30 DGEEMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328695648 434301951 /nfs/dbraw/zinc/30/19/51/434301951.db2.gz KNFDETIPYLRCRY-PMPSAXMXSA-N 1 1 304.438 3.055 10 30 DGEEMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328695648 434301959 /nfs/dbraw/zinc/30/19/59/434301959.db2.gz KNFDETIPYLRCRY-PMPSAXMXSA-N 1 1 304.438 3.055 10 30 DGEEMO O=C(C[C@@H]1CCCCC(=O)N1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000328775823 434310388 /nfs/dbraw/zinc/31/03/88/434310388.db2.gz IAFYTVGDLFIRLL-ZFWWWQNUSA-N 1 1 307.438 3.249 10 30 DGEEMO C#CCCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365767326 434310533 /nfs/dbraw/zinc/31/05/33/434310533.db2.gz XZBKIRZJVYXYDM-WOJBJXKFSA-N 1 1 324.468 3.161 10 30 DGEEMO C=CC(C)(C)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000450788178 434407371 /nfs/dbraw/zinc/40/73/71/434407371.db2.gz CVHYJTCBYCXSCP-IBGZPJMESA-N 1 1 300.446 3.370 10 30 DGEEMO C=CCC[C@@H](NC(=O)N1CC[NH2+]C[C@](C)(F)C1)c1ccccc1 ZINC000417907788 434547131 /nfs/dbraw/zinc/54/71/31/434547131.db2.gz FLVVXQJRGQHFNY-AEFFLSMTSA-N 1 1 319.424 3.037 10 30 DGEEMO C#CCCCCC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000367376053 434548779 /nfs/dbraw/zinc/54/87/79/434548779.db2.gz AMOBMQABGLQAMM-GOSISDBHSA-N 1 1 312.457 3.303 10 30 DGEEMO C[C@H](O)CC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000438984169 434552962 /nfs/dbraw/zinc/55/29/62/434552962.db2.gz JRWFIPLWNVTVEX-HNNXBMFYSA-N 1 1 312.388 3.470 10 30 DGEEMO C=CC[N@H+](CCc1cncs1)Cc1cccc([N+](=O)[O-])c1 ZINC000411186996 434741793 /nfs/dbraw/zinc/74/17/93/434741793.db2.gz AKDYVPBRUFOKTD-UHFFFAOYSA-N 1 1 303.387 3.282 10 30 DGEEMO C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000372384870 434820699 /nfs/dbraw/zinc/82/06/99/434820699.db2.gz MZVKIOHDLLCADO-JKSUJKDBSA-N 1 1 306.450 3.121 10 30 DGEEMO C=CCCCC[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000583975609 435261132 /nfs/dbraw/zinc/26/11/32/435261132.db2.gz FDZCLFQNZGZWMS-ZDUSSCGKSA-N 1 1 306.372 3.123 10 30 DGEEMO C=CCOc1ccc(CNc2nc(N(C)C)cc[nH+]2)cc1Cl ZINC000538506954 435504142 /nfs/dbraw/zinc/50/41/42/435504142.db2.gz ONTZUHHOMIXNQG-UHFFFAOYSA-N 1 1 318.808 3.373 10 30 DGEEMO C=CCOc1ccccc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000519059160 435665629 /nfs/dbraw/zinc/66/56/29/435665629.db2.gz MHNYPJRWMBDYCP-UHFFFAOYSA-N 1 1 316.445 3.246 10 30 DGEEMO C=CCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC000131805307 332037089 /nfs/dbraw/zinc/03/70/89/332037089.db2.gz ONTPNRSAZFWWGN-AYHJJNSGSA-N 1 1 300.446 3.356 10 30 DGEEMO C=CCOc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000131805307 332037091 /nfs/dbraw/zinc/03/70/91/332037091.db2.gz ONTPNRSAZFWWGN-AYHJJNSGSA-N 1 1 300.446 3.356 10 30 DGEEMO C=CCOc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000131805307 332037092 /nfs/dbraw/zinc/03/70/92/332037092.db2.gz ONTPNRSAZFWWGN-AYHJJNSGSA-N 1 1 300.446 3.356 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1 ZINC000499255282 333235317 /nfs/dbraw/zinc/23/53/17/333235317.db2.gz MYVHXITXQKLUSK-ROUUACIJSA-N 1 1 303.446 3.480 10 30 DGEEMO COc1cc(C[N@H+](C)CC#Cc2ccc(F)cc2)cc(OC)c1 ZINC000532606315 336257398 /nfs/dbraw/zinc/25/73/98/336257398.db2.gz BTAJWTNZXJWKCL-UHFFFAOYSA-N 1 1 313.372 3.326 10 30 DGEEMO COc1cc(C[N@@H+](C)CC#Cc2ccc(F)cc2)cc(OC)c1 ZINC000532606315 336257399 /nfs/dbraw/zinc/25/73/99/336257399.db2.gz BTAJWTNZXJWKCL-UHFFFAOYSA-N 1 1 313.372 3.326 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000185053374 337201494 /nfs/dbraw/zinc/20/14/94/337201494.db2.gz QRAAFUGAUUFRGC-SJLPKXTDSA-N 1 1 300.446 3.370 10 30 DGEEMO C=CCCC[C@H](C)[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459510544 339033356 /nfs/dbraw/zinc/03/33/56/339033356.db2.gz WSUAABZWWYOMQN-KBPBESRZSA-N 1 1 307.463 3.034 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1 ZINC000499255281 340033546 /nfs/dbraw/zinc/03/35/46/340033546.db2.gz MYVHXITXQKLUSK-QZTJIDSGSA-N 1 1 303.446 3.480 10 30 DGEEMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CCc2ccccc2)C1=O ZINC000499594409 340040156 /nfs/dbraw/zinc/04/01/56/340040156.db2.gz SVYYRSWQXATZSL-MOPGFXCFSA-N 1 1 312.457 3.261 10 30 DGEEMO C=C(C)CC[N@@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000510775791 340310623 /nfs/dbraw/zinc/31/06/23/340310623.db2.gz GMVDXPLHYYRSTC-UHFFFAOYSA-N 1 1 324.424 3.271 10 30 DGEEMO C=CC[N@H+](CCCSCC#N)Cc1cccc([N+](=O)[O-])c1 ZINC000074989333 341159072 /nfs/dbraw/zinc/15/90/72/341159072.db2.gz BEQGWYABBFDGKZ-UHFFFAOYSA-N 1 1 305.403 3.230 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCOC3(CCOCC3)CC2)cc1 ZINC000546717923 341180068 /nfs/dbraw/zinc/18/00/68/341180068.db2.gz FRUMVJMRXDBGOY-UHFFFAOYSA-N 1 1 317.429 3.023 10 30 DGEEMO CC(C)[N@@H+]1C[C@H](C)[C@H](NCc2cccc(OCCCC#N)c2)C1 ZINC000247398651 341364080 /nfs/dbraw/zinc/36/40/80/341364080.db2.gz QXJUSIBDBBBKRQ-QFBILLFUSA-N 1 1 315.461 3.187 10 30 DGEEMO CC(C)[N@H+]1C[C@H](C)[C@H](NCc2cccc(OCCCC#N)c2)C1 ZINC000247398651 341364081 /nfs/dbraw/zinc/36/40/81/341364081.db2.gz QXJUSIBDBBBKRQ-QFBILLFUSA-N 1 1 315.461 3.187 10 30 DGEEMO CO[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC[C@H]1C ZINC000249139893 341394494 /nfs/dbraw/zinc/39/44/94/341394494.db2.gz FKVVQQZIZVADNC-CRAIPNDOSA-N 1 1 302.418 3.226 10 30 DGEEMO C=CCc1cc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc(OC)c1O ZINC000449687806 534412869 /nfs/dbraw/zinc/41/28/69/534412869.db2.gz RFGVYILGNDFAQX-IBGZPJMESA-N 1 1 317.429 3.132 10 30 DGEEMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)C[C@H](C)C2)c(C#N)c1C ZINC000127498913 534548953 /nfs/dbraw/zinc/54/89/53/534548953.db2.gz ZOSDOVHKKIOZEN-OBJOEFQTSA-N 1 1 317.433 3.463 10 30 DGEEMO N#CCCCOc1cccc(CN2CCC[N@H+](C3CC3)CC2)c1 ZINC000179729704 534615961 /nfs/dbraw/zinc/61/59/61/534615961.db2.gz VUXWIQIEWAUQMD-UHFFFAOYSA-N 1 1 313.445 3.039 10 30 DGEEMO N#CCCCOc1cccc(C[N@@H+]2CCCN(C3CC3)CC2)c1 ZINC000179729704 534615967 /nfs/dbraw/zinc/61/59/67/534615967.db2.gz VUXWIQIEWAUQMD-UHFFFAOYSA-N 1 1 313.445 3.039 10 30 DGEEMO N#CCCCOc1cccc(C[N@H+]2CCCN(C3CC3)CC2)c1 ZINC000179729704 534615973 /nfs/dbraw/zinc/61/59/73/534615973.db2.gz VUXWIQIEWAUQMD-UHFFFAOYSA-N 1 1 313.445 3.039 10 30 DGEEMO N#Cc1ccc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000160180814 526610270 /nfs/dbraw/zinc/61/02/70/526610270.db2.gz VRSZXBLFVZLVJA-INIZCTEOSA-N 1 1 312.369 3.038 10 30 DGEEMO C=C(C)COc1cccc(NC(=O)c2c[nH+]ccc2N(C)C)c1 ZINC000183517690 526672048 /nfs/dbraw/zinc/67/20/48/526672048.db2.gz XEAXSWOMRHQEJU-UHFFFAOYSA-N 1 1 311.385 3.355 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000185590417 526713960 /nfs/dbraw/zinc/71/39/60/526713960.db2.gz VTVNPHWGFHOGTG-JZXOWHBKSA-N 1 1 315.461 3.011 10 30 DGEEMO C=C(C)Cn1c([C@H](C)CC)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000358949494 526738063 /nfs/dbraw/zinc/73/80/63/526738063.db2.gz HGLAVISDFJGZOZ-GDBMZVCRSA-N 1 1 317.481 3.041 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000076738135 527192669 /nfs/dbraw/zinc/19/26/69/527192669.db2.gz AMVSLODSFDBFEV-UHFFFAOYSA-N 1 1 313.445 3.448 10 30 DGEEMO C=C[C@@H](C)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000349415706 527412492 /nfs/dbraw/zinc/41/24/92/527412492.db2.gz RLYRUXRHDUWQQF-UKRRQHHQSA-N 1 1 301.434 3.184 10 30 DGEEMO C=CCC[C@@H](CCC)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000433075924 527426829 /nfs/dbraw/zinc/42/68/29/527426829.db2.gz IHEUXZJZUFPUGR-QGZVFWFLSA-N 1 1 315.461 3.077 10 30 DGEEMO C=CCC[C@@H](CCC)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000433075924 527426837 /nfs/dbraw/zinc/42/68/37/527426837.db2.gz IHEUXZJZUFPUGR-QGZVFWFLSA-N 1 1 315.461 3.077 10 30 DGEEMO C=C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000135654886 527572686 /nfs/dbraw/zinc/57/26/86/527572686.db2.gz AYEBZEPXHQIAJQ-JZXOWHBKSA-N 1 1 300.446 3.287 10 30 DGEEMO CC[N@@H+](C[C@@H](C)C#N)C[C@H](O)COc1ccccc1C(C)C ZINC000157667543 528634687 /nfs/dbraw/zinc/63/46/87/528634687.db2.gz WTVUELXOZCLTDX-HOTGVXAUSA-N 1 1 304.434 3.031 10 30 DGEEMO CC[N@H+](C[C@@H](C)C#N)C[C@H](O)COc1ccccc1C(C)C ZINC000157667543 528634697 /nfs/dbraw/zinc/63/46/97/528634697.db2.gz WTVUELXOZCLTDX-HOTGVXAUSA-N 1 1 304.434 3.031 10 30 DGEEMO CC(C)Nc1ncccc1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000329622219 546488284 /nfs/dbraw/zinc/48/82/84/546488284.db2.gz HEMPHQLLFYGLQK-CQSZACIVSA-N 1 1 316.449 3.223 10 30 DGEEMO N#CCOc1ccc(Cl)cc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000735308869 574696639 /nfs/dbraw/zinc/69/66/39/574696639.db2.gz WSBUIQPPVLITFU-CYBMUJFWSA-N 1 1 320.820 3.243 10 30 DGEEMO CCOC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735311468 574696820 /nfs/dbraw/zinc/69/68/20/574696820.db2.gz QNHVIIJBDJKSCX-AWEZNQCLSA-N 1 1 322.836 3.491 10 30 DGEEMO N#CCOc1ccc(Cl)cc1C[N@H+](CCO)C1CCCCC1 ZINC000735311083 574697245 /nfs/dbraw/zinc/69/72/45/574697245.db2.gz JLQXCNFKARUTGA-UHFFFAOYSA-N 1 1 322.836 3.369 10 30 DGEEMO C=CCCCOC(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000741343344 574956219 /nfs/dbraw/zinc/95/62/19/574956219.db2.gz CBRAPZUISHAMFR-UHFFFAOYSA-N 1 1 320.408 3.091 10 30 DGEEMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1sc(C(C)(C)C)nc1C ZINC000729812108 575263869 /nfs/dbraw/zinc/26/38/69/575263869.db2.gz LWANWYJHMXXYSB-ZDUSSCGKSA-N 1 1 320.458 3.003 10 30 DGEEMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1sc(C(C)(C)C)nc1C ZINC000729812108 575263871 /nfs/dbraw/zinc/26/38/71/575263871.db2.gz LWANWYJHMXXYSB-ZDUSSCGKSA-N 1 1 320.458 3.003 10 30 DGEEMO C[C@@](O)(C[N@H+]1CCCC(F)(F)CC1)C(F)(F)C(F)(F)F ZINC000724115935 655744248 /nfs/dbraw/zinc/74/42/48/655744248.db2.gz UOOBPYBQNACKDY-MRVPVSSYSA-N 1 1 311.241 3.056 10 30 DGEEMO C#CCCCCC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000162409685 656143028 /nfs/dbraw/zinc/14/30/28/656143028.db2.gz WXLYSYUYYMPQLU-HXUWFJFHSA-N 1 1 312.457 3.351 10 30 DGEEMO C#CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000184234865 657385098 /nfs/dbraw/zinc/38/50/98/657385098.db2.gz ZRZIBRIBKWCZTI-UHFFFAOYSA-N 1 1 306.337 3.120 10 30 DGEEMO C#CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000184234865 657385102 /nfs/dbraw/zinc/38/51/02/657385102.db2.gz ZRZIBRIBKWCZTI-UHFFFAOYSA-N 1 1 306.337 3.120 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1 ZINC000446840193 660053711 /nfs/dbraw/zinc/05/37/11/660053711.db2.gz DUGCSYYDKOGKOD-QGZVFWFLSA-N 1 1 311.429 3.365 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000076738196 661995801 /nfs/dbraw/zinc/99/58/01/661995801.db2.gz JPJDJRIOLRSLOL-UHFFFAOYSA-N 1 1 311.769 3.085 10 30 DGEEMO Oc1ccccc1C[N@@H+](CC#Cc1ccccc1)C[C@@H]1CCCO1 ZINC000192102151 662087267 /nfs/dbraw/zinc/08/72/67/662087267.db2.gz BLRSTEPOWNZALE-FQEVSTJZSA-N 1 1 321.420 3.425 10 30 DGEEMO Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000246068351 662246695 /nfs/dbraw/zinc/24/66/95/662246695.db2.gz RVEFPFMLBPFCPO-OXQOHEQNSA-N 1 1 308.425 3.463 10 30 DGEEMO C#CCCOc1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000093585719 662357656 /nfs/dbraw/zinc/35/76/56/662357656.db2.gz QLTKIIQPUJTDLT-QUCCMNQESA-N 1 1 313.441 3.216 10 30 DGEEMO CC1=CC[N@@H+](CCNC(=O)[C@H]2CC(=O)Nc3ccccc32)CC1 ZINC000329184336 1176997113 /nfs/dbraw/zinc/99/71/13/1176997113.db2.gz OGVUKVXLKMCAHC-HNNXBMFYSA-N 1 1 313.401 3.370 10 30 DGEEMO C[C@H](Cc1ccsc1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000081598991 1197237773 /nfs/dbraw/zinc/23/77/73/1197237773.db2.gz LMKDXFOIPITGCV-LLVKDONJSA-N 1 1 319.455 3.183 10 30 DGEEMO C[C@H](Cc1ccsc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000081598991 1197237777 /nfs/dbraw/zinc/23/77/77/1197237777.db2.gz LMKDXFOIPITGCV-LLVKDONJSA-N 1 1 319.455 3.183 10 30 DGEEMO CC(C)[N@H+]1CC[C@H](CNc2cc(Br)ccc2C#N)C1 ZINC000123223191 1200275543 /nfs/dbraw/zinc/27/55/43/1200275543.db2.gz MOSFEBWUDDHCLJ-GFCCVEGCSA-N 1 1 322.250 3.463 10 30 DGEEMO C=CCOc1ccc(C[NH2+]Cc2ncccc2F)cc1OC ZINC000126308377 1200516415 /nfs/dbraw/zinc/51/64/15/1200516415.db2.gz VTJNDIGFIUTXQN-UHFFFAOYSA-N 1 1 302.349 3.084 10 30 DGEEMO N#Cc1ccc(N[C@H]2CC[N@H+](C3CC3)C2)c(F)c1Br ZINC000231845521 1202600304 /nfs/dbraw/zinc/60/03/04/1202600304.db2.gz MWQIJYZVXVUWPT-JTQLQIEISA-N 1 1 324.197 3.108 10 30 DGEEMO C[C@@H](Cc1ccsc1)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000176441451 1203931195 /nfs/dbraw/zinc/93/11/95/1203931195.db2.gz GPDWPRZLJMJHTR-ZDUSSCGKSA-N 1 1 313.426 3.121 10 30 DGEEMO C[C@@H](Cc1ccsc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000176441451 1203931196 /nfs/dbraw/zinc/93/11/96/1203931196.db2.gz GPDWPRZLJMJHTR-ZDUSSCGKSA-N 1 1 313.426 3.121 10 30 DGEEMO C#CCCCCC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000723998751 1106527594 /nfs/dbraw/zinc/52/75/94/1106527594.db2.gz JKYASDSXXQVQDV-LJQANCHMSA-N 1 1 312.457 3.208 10 30 DGEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000061891790 432003079 /nfs/dbraw/zinc/00/30/79/432003079.db2.gz DVGDMGZYMWPMHL-TZMCWYRMSA-N 1 1 306.793 3.283 10 30 DGEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCCSCC1 ZINC000089983316 185274072 /nfs/dbraw/zinc/27/40/72/185274072.db2.gz DWGPAJZSLVVHEZ-AWEZNQCLSA-N 1 1 324.515 3.090 10 30 DGEEMO C=CCOC[C@H](O)C[N@H+](CCC(C)C)Cc1ccc(C)s1 ZINC000036101681 119369242 /nfs/dbraw/zinc/36/92/42/119369242.db2.gz KEMSAFJAHRKQCP-MRXNPFEDSA-N 1 1 311.491 3.468 10 30 DGEEMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](c4nccs4)C3)n2c1 ZINC000092788646 185341315 /nfs/dbraw/zinc/34/13/15/185341315.db2.gz BAKFASHITLDZLO-AWEZNQCLSA-N 1 1 323.425 3.042 10 30 DGEEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000159998915 282265374 /nfs/dbraw/zinc/26/53/74/282265374.db2.gz JJOCYDIQUZHOEL-SFHVURJKSA-N 1 1 311.404 3.365 10 30 DGEEMO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1C ZINC000174528237 198347626 /nfs/dbraw/zinc/34/76/26/198347626.db2.gz PKFXZNCHHWHNAY-BXUZGUMPSA-N 1 1 320.824 3.158 10 30 DGEEMO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1C ZINC000174528261 198347677 /nfs/dbraw/zinc/34/76/77/198347677.db2.gz PKFXZNCHHWHNAY-RISCZKNCSA-N 1 1 320.824 3.158 10 30 DGEEMO C#Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000179478409 199042080 /nfs/dbraw/zinc/04/20/80/199042080.db2.gz JMGLJQSTUBZCDK-MOPGFXCFSA-N 1 1 319.408 3.235 10 30 DGEEMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000187181859 200073374 /nfs/dbraw/zinc/07/33/74/200073374.db2.gz ISQCHIAIKIFGSA-WBVHZDCISA-N 1 1 304.821 3.339 10 30 DGEEMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000187181859 200073376 /nfs/dbraw/zinc/07/33/76/200073376.db2.gz ISQCHIAIKIFGSA-WBVHZDCISA-N 1 1 304.821 3.339 10 30 DGEEMO COc1ccc(C#N)cc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000246116834 432096975 /nfs/dbraw/zinc/09/69/75/432096975.db2.gz OKNJNHJKQZFRGC-MSOLQXFVSA-N 1 1 313.445 3.014 10 30 DGEEMO COc1ccc(C[N@H+](C)Cc2ccc(Cl)nc2)cc1C#N ZINC000135126072 432099427 /nfs/dbraw/zinc/09/94/27/432099427.db2.gz UOTDURCYMUFBSX-UHFFFAOYSA-N 1 1 301.777 3.247 10 30 DGEEMO COc1ccc(C[N@@H+](C)Cc2ccc(Cl)nc2)cc1C#N ZINC000135126072 432099429 /nfs/dbraw/zinc/09/94/29/432099429.db2.gz UOTDURCYMUFBSX-UHFFFAOYSA-N 1 1 301.777 3.247 10 30 DGEEMO CC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@H](C)/C(N)=N/O ZINC000042445136 183271206 /nfs/dbraw/zinc/27/12/06/183271206.db2.gz SXGUARBEZOQNKE-VIFPVBQESA-N 1 1 304.221 3.198 10 30 DGEEMO CC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@H](C)/C(N)=N/O ZINC000042445136 183271208 /nfs/dbraw/zinc/27/12/08/183271208.db2.gz SXGUARBEZOQNKE-VIFPVBQESA-N 1 1 304.221 3.198 10 30 DGEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000061892221 184193159 /nfs/dbraw/zinc/19/31/59/184193159.db2.gz OKMWVAHERGOLNT-JQWIXIFHSA-N 1 1 324.178 3.139 10 30 DGEEMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000585754479 400138556 /nfs/dbraw/zinc/13/85/56/400138556.db2.gz PNNNPZIVKWXQBY-UHFFFAOYSA-N 1 1 307.397 3.364 10 30 DGEEMO C=CCOc1ccc(CNC2CC[NH+](CC(=C)C)CC2)cc1 ZINC000106246307 400326473 /nfs/dbraw/zinc/32/64/73/400326473.db2.gz ZRJXKBIGMISCAI-UHFFFAOYSA-N 1 1 300.446 3.382 10 30 DGEEMO C=CCCCN(C)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000125792337 400485160 /nfs/dbraw/zinc/48/51/60/400485160.db2.gz SMFXPRRAHNUPCB-GOSISDBHSA-N 1 1 315.461 3.259 10 30 DGEEMO C=CCC[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)C(=O)OCC ZINC000602683975 400538003 /nfs/dbraw/zinc/53/80/03/400538003.db2.gz ZCOILDJENOGUJX-FUHWJXTLSA-N 1 1 316.445 3.000 10 30 DGEEMO C=CCC[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)C(=O)OCC ZINC000602683976 400538496 /nfs/dbraw/zinc/53/84/96/400538496.db2.gz ZCOILDJENOGUJX-SJLPKXTDSA-N 1 1 316.445 3.000 10 30 DGEEMO C=CCCCN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000135667353 400588556 /nfs/dbraw/zinc/58/85/56/400588556.db2.gz CHZYAFQOMPHNBR-QGZVFWFLSA-N 1 1 318.486 3.201 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000606447399 400914762 /nfs/dbraw/zinc/91/47/62/400914762.db2.gz GQYVZLVDPAXBRK-QGZVFWFLSA-N 1 1 302.462 3.282 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000625701587 401185747 /nfs/dbraw/zinc/18/57/47/401185747.db2.gz KTCXPYQTMWCDMS-CYBMUJFWSA-N 1 1 302.809 3.319 10 30 DGEEMO C=CC[C@@H]1CC[N@@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000625703178 401187556 /nfs/dbraw/zinc/18/75/56/401187556.db2.gz RBIGTZJTMDIADG-CJNGLKHVSA-N 1 1 302.443 3.388 10 30 DGEEMO C=CCOc1ccc(CN[C@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000634732347 401340761 /nfs/dbraw/zinc/34/07/61/401340761.db2.gz DLAXXNAXBOIQPJ-INIZCTEOSA-N 1 1 318.461 3.128 10 30 DGEEMO C=C1CC(C)(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000630937378 401356740 /nfs/dbraw/zinc/35/67/40/401356740.db2.gz FNODIIUZFZAPJC-HNNXBMFYSA-N 1 1 314.429 3.375 10 30 DGEEMO C=CCOc1c(Cl)cc(CNC[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000623376868 401504139 /nfs/dbraw/zinc/50/41/39/401504139.db2.gz FWHOJEZEGSDYDM-AWEZNQCLSA-N 1 1 324.852 3.097 10 30 DGEEMO C=CCOc1c(Cl)cc(CNC[C@@H]2CCC[N@H+]2C)cc1OC ZINC000623376868 401504141 /nfs/dbraw/zinc/50/41/41/401504141.db2.gz FWHOJEZEGSDYDM-AWEZNQCLSA-N 1 1 324.852 3.097 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000623466476 401524718 /nfs/dbraw/zinc/52/47/18/401524718.db2.gz AUHIXSTXCNVEMS-IAGOWNOFSA-N 1 1 307.482 3.106 10 30 DGEEMO C=CC[C@H]1CC[N@H+](C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000628406122 401592089 /nfs/dbraw/zinc/59/20/89/401592089.db2.gz CKQITKJUFBGYGE-CABCVRRESA-N 1 1 307.459 3.092 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000628486111 401606875 /nfs/dbraw/zinc/60/68/75/401606875.db2.gz AWZSSHPEJYCXFT-IEBWSBKVSA-N 1 1 312.457 3.323 10 30 DGEEMO N#Cc1ccccc1Cn1cccc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000187420487 165088427 /nfs/dbraw/zinc/08/84/27/165088427.db2.gz HWMAKPOKZJOQDK-HXUWFJFHSA-N 1 1 321.424 3.020 10 30 DGEEMO COc1ccc([C@H]2C[C@H](C)[N@@H+](Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000191386824 165248056 /nfs/dbraw/zinc/24/80/56/165248056.db2.gz SFLOIOXUJDPVIQ-YOEHRIQHSA-N 1 1 309.413 3.283 10 30 DGEEMO N#Cc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1F ZINC000191943662 165276527 /nfs/dbraw/zinc/27/65/27/165276527.db2.gz DGAAFRTZFJKUOH-UHFFFAOYSA-N 1 1 301.409 3.005 10 30 DGEEMO CC[N@@H+](CCNc1ccc(Br)cc1C#N)C1CC1 ZINC000217998721 165377972 /nfs/dbraw/zinc/37/79/72/165377972.db2.gz AIFJPCHVZFUAFU-UHFFFAOYSA-N 1 1 308.223 3.217 10 30 DGEEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000193641204 263797327 /nfs/dbraw/zinc/79/73/27/263797327.db2.gz JBGJEEZZGYNEEL-LLVKDONJSA-N 1 1 317.776 3.402 10 30 DGEEMO CC(C)(COCc1ccccc1)[NH2+]Cc1nc(C#N)cs1 ZINC000352904762 265223666 /nfs/dbraw/zinc/22/36/66/265223666.db2.gz UQEVRKMMVGHPST-UHFFFAOYSA-N 1 1 301.415 3.100 10 30 DGEEMO C[C@H](CCNCc1nc(C#N)cs1)[N@@H+](C)Cc1ccccc1 ZINC000352842593 267151883 /nfs/dbraw/zinc/15/18/83/267151883.db2.gz PHUKVGZYDIJYAB-CQSZACIVSA-N 1 1 314.458 3.015 10 30 DGEEMO C[C@H]1CCN(c2ccncc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000369963553 267217967 /nfs/dbraw/zinc/21/79/67/267217967.db2.gz GGVJQQNTSPIRQA-INIZCTEOSA-N 1 1 306.413 3.054 10 30 DGEEMO Cc1cc(C#N)nc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000376458474 267317690 /nfs/dbraw/zinc/31/76/90/267317690.db2.gz BFOHOLOTBPWLQF-WBVHZDCISA-N 1 1 321.428 3.122 10 30 DGEEMO C=C[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC)c1ccccc1 ZINC000247920971 432255100 /nfs/dbraw/zinc/25/51/00/432255100.db2.gz BSUPKPVNDIEECR-NEWSRXKRSA-N 1 1 312.457 3.432 10 30 DGEEMO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328717890 279180434 /nfs/dbraw/zinc/18/04/34/279180434.db2.gz UULLYKJMNBTREZ-GDBMZVCRSA-N 1 1 304.438 3.198 10 30 DGEEMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116288923 431500861 /nfs/dbraw/zinc/50/08/61/431500861.db2.gz INLDBQHYYWFAOB-CYBMUJFWSA-N 1 1 315.398 3.378 10 30 DGEEMO Cc1cc(C#N)ccc1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000122216445 431819661 /nfs/dbraw/zinc/81/96/61/431819661.db2.gz LZVXHMAJBNSFHU-INIZCTEOSA-N 1 1 321.424 3.117 10 30 DGEEMO C=CCOc1ccc(C[N@H+](CCOC)Cc2ccco2)cc1 ZINC000092561434 431910065 /nfs/dbraw/zinc/91/00/65/431910065.db2.gz CQVWXNGNLZGWJM-UHFFFAOYSA-N 1 1 301.386 3.493 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](CCOC)Cc2ccco2)cc1 ZINC000092561434 431910067 /nfs/dbraw/zinc/91/00/67/431910067.db2.gz CQVWXNGNLZGWJM-UHFFFAOYSA-N 1 1 301.386 3.493 10 30 DGEEMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3Cc3ccccc3)n2c1 ZINC000124965116 431910277 /nfs/dbraw/zinc/91/02/77/431910277.db2.gz YAYBSHROOHAYAT-SFHVURJKSA-N 1 1 316.408 3.413 10 30 DGEEMO C=CCCCN(C)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000125173820 431916598 /nfs/dbraw/zinc/91/65/98/431916598.db2.gz UDBYARNTDADQPK-AWEZNQCLSA-N 1 1 321.490 3.102 10 30 DGEEMO C=CCCCN(C)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000125173820 431916600 /nfs/dbraw/zinc/91/66/00/431916600.db2.gz UDBYARNTDADQPK-AWEZNQCLSA-N 1 1 321.490 3.102 10 30 DGEEMO CN(CCC#N)c1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000091979175 431906396 /nfs/dbraw/zinc/90/63/96/431906396.db2.gz HXPJIAAJNGKBGO-OALUTQOASA-N 1 1 313.445 3.180 10 30 DGEEMO CC[C@H]1CC[N@@H+]1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330281276 281102405 /nfs/dbraw/zinc/10/24/05/281102405.db2.gz UJPLWEKEWCQTGN-URZJAHPPSA-N 1 1 319.449 3.310 10 30 DGEEMO CC[C@H]1CC[N@H+]1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330281276 281102406 /nfs/dbraw/zinc/10/24/06/281102406.db2.gz UJPLWEKEWCQTGN-URZJAHPPSA-N 1 1 319.449 3.310 10 30 DGEEMO C=C[C@H](CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1ccccc1 ZINC000248069896 432266930 /nfs/dbraw/zinc/26/69/30/432266930.db2.gz QEOUNFQXBSWAPJ-NZSAHSFTSA-N 1 1 312.457 3.289 10 30 DGEEMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249591315 432352293 /nfs/dbraw/zinc/35/22/93/432352293.db2.gz VNLRCDKRMKIZPB-FSPWUOQZSA-N 1 1 312.438 3.389 10 30 DGEEMO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000174008079 432314372 /nfs/dbraw/zinc/31/43/72/432314372.db2.gz ZYEXPCWFJGZSNW-NWDGAFQWSA-N 1 1 305.809 3.271 10 30 DGEEMO C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000174008079 432314374 /nfs/dbraw/zinc/31/43/74/432314374.db2.gz ZYEXPCWFJGZSNW-NWDGAFQWSA-N 1 1 305.809 3.271 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1OC ZINC000252734160 432387986 /nfs/dbraw/zinc/38/79/86/432387986.db2.gz HLLYLBQRORKWSS-SJORKVTESA-N 1 1 317.429 3.403 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)cc1OC ZINC000252734160 432387988 /nfs/dbraw/zinc/38/79/88/432387988.db2.gz HLLYLBQRORKWSS-SJORKVTESA-N 1 1 317.429 3.403 10 30 DGEEMO C#Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000252801417 432389060 /nfs/dbraw/zinc/38/90/60/432389060.db2.gz JMGLJQSTUBZCDK-RTBURBONSA-N 1 1 319.408 3.235 10 30 DGEEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)o1 ZINC000193635110 432487277 /nfs/dbraw/zinc/48/72/77/432487277.db2.gz UWNPEMPNWVUTKO-LLVKDONJSA-N 1 1 317.776 3.402 10 30 DGEEMO C=CCCCCC[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000193336988 432467132 /nfs/dbraw/zinc/46/71/32/432467132.db2.gz XKVFJVZOTAGCGG-UHFFFAOYSA-N 1 1 304.482 3.026 10 30 DGEEMO C#CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000185958372 432549003 /nfs/dbraw/zinc/54/90/03/432549003.db2.gz YOTCIOQOKVLCFW-HZPDHXFCSA-N 1 1 318.848 3.251 10 30 DGEEMO C#CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000185958372 432549004 /nfs/dbraw/zinc/54/90/04/432549004.db2.gz YOTCIOQOKVLCFW-HZPDHXFCSA-N 1 1 318.848 3.251 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000186067525 432555911 /nfs/dbraw/zinc/55/59/11/432555911.db2.gz ZNNHHAPXAPVZDG-BQFCYCMXSA-N 1 1 300.446 3.225 10 30 DGEEMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000186237352 432573261 /nfs/dbraw/zinc/57/32/61/432573261.db2.gz UIVQVXVYICSRKB-KRWDZBQOSA-N 1 1 306.413 3.196 10 30 DGEEMO CC[N@H+]1CCC[C@H](Nc2ccc(C#N)cc2Br)C1 ZINC000213324124 432641093 /nfs/dbraw/zinc/64/10/93/432641093.db2.gz IXFJGNGAZYEGAF-LBPRGKRZSA-N 1 1 308.223 3.217 10 30 DGEEMO COc1ccc(C[N@@H+](CCc2nccs2)C(C)C)cc1C#N ZINC000159819766 432697544 /nfs/dbraw/zinc/69/75/44/432697544.db2.gz MUSQZURPUSNKOX-UHFFFAOYSA-N 1 1 315.442 3.476 10 30 DGEEMO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)c1nccs1 ZINC000161167394 432763010 /nfs/dbraw/zinc/76/30/10/432763010.db2.gz IPIYOTDKTMVNIL-BXUZGUMPSA-N 1 1 314.414 3.083 10 30 DGEEMO C=CCCC[C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000245964277 432873006 /nfs/dbraw/zinc/87/30/06/432873006.db2.gz YTVLKRUHTLAOGL-ZACQAIPSSA-N 1 1 307.482 3.388 10 30 DGEEMO C=CC[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245547479 432843021 /nfs/dbraw/zinc/84/30/21/432843021.db2.gz FCALLUCPUZILIX-RCBQFDQVSA-N 1 1 321.852 3.349 10 30 DGEEMO C=CC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245547479 432843023 /nfs/dbraw/zinc/84/30/23/432843023.db2.gz FCALLUCPUZILIX-RCBQFDQVSA-N 1 1 321.852 3.349 10 30 DGEEMO C[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1n1ccnc1 ZINC000245575128 432846388 /nfs/dbraw/zinc/84/63/88/432846388.db2.gz HNJHZYFMABWZKK-MAUKXSAKSA-N 1 1 313.832 3.471 10 30 DGEEMO CN(CCC#N)c1ccc(C[N@@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000245570059 432846575 /nfs/dbraw/zinc/84/65/75/432846575.db2.gz WRPWFSSJWKAULZ-SFHVURJKSA-N 1 1 323.444 3.487 10 30 DGEEMO CN(CCC#N)c1ccc(C[N@H+]2CCCC[C@H]2c2ncc[nH]2)cc1 ZINC000245570059 432846578 /nfs/dbraw/zinc/84/65/78/432846578.db2.gz WRPWFSSJWKAULZ-SFHVURJKSA-N 1 1 323.444 3.487 10 30 DGEEMO C=C(C)COc1cc(C[N@H+](CC)[C@@H]2CCOC2)ccc1OC ZINC000361251630 433058899 /nfs/dbraw/zinc/05/88/99/433058899.db2.gz MUJFOGMLZKYXPM-MRXNPFEDSA-N 1 1 305.418 3.261 10 30 DGEEMO N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCC12CCC2 ZINC000373106201 433090505 /nfs/dbraw/zinc/09/05/05/433090505.db2.gz GMEDLBUEOORIQF-UHFFFAOYSA-N 1 1 315.442 3.259 10 30 DGEEMO N#CCSc1ccccc1NC(=O)C[N@H+]1CCCC12CCC2 ZINC000373106201 433090512 /nfs/dbraw/zinc/09/05/12/433090512.db2.gz GMEDLBUEOORIQF-UHFFFAOYSA-N 1 1 315.442 3.259 10 30 DGEEMO C=C(C)C[NH+]1CCC(N[C@@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000281307106 433280590 /nfs/dbraw/zinc/28/05/90/433280590.db2.gz RORCVPJCRKZIFS-GOSISDBHSA-N 1 1 318.436 3.452 10 30 DGEEMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCCC34CCC4)C2=O)cc1 ZINC000447877681 433311032 /nfs/dbraw/zinc/31/10/32/433311032.db2.gz IGSNJSLOLRWKTC-QGZVFWFLSA-N 1 1 309.413 3.072 10 30 DGEEMO C=CCCCNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000448029551 433352050 /nfs/dbraw/zinc/35/20/50/433352050.db2.gz HZSOFGSTEMYGJM-SFHVURJKSA-N 1 1 315.461 3.259 10 30 DGEEMO C=CCCCNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000448034832 433353422 /nfs/dbraw/zinc/35/34/22/433353422.db2.gz LRWSKEXUCVIXGA-QGZVFWFLSA-N 1 1 315.461 3.259 10 30 DGEEMO C=CCCCNC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000448000938 433342009 /nfs/dbraw/zinc/34/20/09/433342009.db2.gz RPYDCEWDBMFINZ-GOSISDBHSA-N 1 1 315.461 3.162 10 30 DGEEMO C=C(C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000454730566 433524791 /nfs/dbraw/zinc/52/47/91/433524791.db2.gz IJOTVDSTZMSPEY-CVEARBPZSA-N 1 1 321.852 3.351 10 30 DGEEMO C=C(C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000454730566 433524798 /nfs/dbraw/zinc/52/47/98/433524798.db2.gz IJOTVDSTZMSPEY-CVEARBPZSA-N 1 1 321.852 3.351 10 30 DGEEMO Cc1cc(NCCCC[N@@H+]2CCC[C@H](C)C2)c(C#N)c(C)n1 ZINC000301793036 433727254 /nfs/dbraw/zinc/72/72/54/433727254.db2.gz RONKFZZPEUZZDP-AWEZNQCLSA-N 1 1 300.450 3.494 10 30 DGEEMO Cc1cc(C#N)cc(NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000342793599 433759214 /nfs/dbraw/zinc/75/92/14/433759214.db2.gz VWSMGJFFDLXTFY-MRXNPFEDSA-N 1 1 308.429 3.584 10 30 DGEEMO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1cccc(C#N)c1)CC2 ZINC000378267088 434126041 /nfs/dbraw/zinc/12/60/41/434126041.db2.gz SBMGNWFSKUVDBK-UHFFFAOYSA-N 1 1 304.393 3.362 10 30 DGEEMO CC(=O)Nc1ccn([C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)n1 ZINC000328626329 434293107 /nfs/dbraw/zinc/29/31/07/434293107.db2.gz LOIVVNFFBNJPHB-CYBMUJFWSA-N 1 1 304.419 3.308 10 30 DGEEMO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328685626 434297339 /nfs/dbraw/zinc/29/73/39/434297339.db2.gz FSEQVJCYWFENAK-WBVHZDCISA-N 1 1 318.465 3.445 10 30 DGEEMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328699222 434300131 /nfs/dbraw/zinc/30/01/31/434300131.db2.gz MDNNRBNWYQXURJ-QZWWFDLISA-N 1 1 318.465 3.444 10 30 DGEEMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328779566 434309287 /nfs/dbraw/zinc/30/92/87/434309287.db2.gz IXDLNRPTOQXZEH-HUUCEWRRSA-N 1 1 309.454 3.210 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000358394090 434392680 /nfs/dbraw/zinc/39/26/80/434392680.db2.gz FXASCOBGTQURFC-IEBWSBKVSA-N 1 1 302.462 3.398 10 30 DGEEMO C[C@@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000358576402 434399800 /nfs/dbraw/zinc/39/98/00/434399800.db2.gz UCYNLZQXJNWKPT-PIGZYNQJSA-N 1 1 302.324 3.221 10 30 DGEEMO N#CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000366756489 434504851 /nfs/dbraw/zinc/50/48/51/434504851.db2.gz KWLSILZETDXHBC-YQQQUEKLSA-N 1 1 309.457 3.465 10 30 DGEEMO N#CCC1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000366756489 434504857 /nfs/dbraw/zinc/50/48/57/434504857.db2.gz KWLSILZETDXHBC-YQQQUEKLSA-N 1 1 309.457 3.465 10 30 DGEEMO N#CCC1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000366756489 434504860 /nfs/dbraw/zinc/50/48/60/434504860.db2.gz KWLSILZETDXHBC-YQQQUEKLSA-N 1 1 309.457 3.465 10 30 DGEEMO Cc1ccnc(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)n1 ZINC000371828273 434756522 /nfs/dbraw/zinc/75/65/22/434756522.db2.gz GFWLMYPWMISISW-UHFFFAOYSA-N 1 1 310.376 3.175 10 30 DGEEMO C=CCN1CC[C@H]([N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)C1=O ZINC000411992573 434852651 /nfs/dbraw/zinc/85/26/51/434852651.db2.gz VKGDZLFGCMWBBI-ROUUACIJSA-N 1 1 310.441 3.043 10 30 DGEEMO C=CCN1CC[C@@H]([N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)C1=O ZINC000411992570 434852895 /nfs/dbraw/zinc/85/28/95/434852895.db2.gz VKGDZLFGCMWBBI-QZTJIDSGSA-N 1 1 310.441 3.043 10 30 DGEEMO C=CCOc1ccc(CNc2[nH+]c3cc(F)ccc3n2C)cc1 ZINC000463515893 434964083 /nfs/dbraw/zinc/96/40/83/434964083.db2.gz LCAFKZPSGTZCEM-UHFFFAOYSA-N 1 1 311.360 3.889 10 30 DGEEMO C=CCC[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000463777709 434969077 /nfs/dbraw/zinc/96/90/77/434969077.db2.gz VIPLTQLLCORADJ-OALUTQOASA-N 1 1 312.457 3.432 10 30 DGEEMO C=CCCN(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000467103890 435109453 /nfs/dbraw/zinc/10/94/53/435109453.db2.gz KTFFYRSBVGUWNY-GOEBONIOSA-N 1 1 321.490 3.349 10 30 DGEEMO C=CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)c1 ZINC000467372955 435117612 /nfs/dbraw/zinc/11/76/12/435117612.db2.gz HSVCTODTFPXBIN-CGTJXYLNSA-N 1 1 315.413 3.025 10 30 DGEEMO C=CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)c1 ZINC000467372955 435117614 /nfs/dbraw/zinc/11/76/14/435117614.db2.gz HSVCTODTFPXBIN-CGTJXYLNSA-N 1 1 315.413 3.025 10 30 DGEEMO C=CCCCC[N@@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000582341709 435240202 /nfs/dbraw/zinc/24/02/02/435240202.db2.gz VXLMBJTXIOAOMR-AWEZNQCLSA-N 1 1 320.399 3.466 10 30 DGEEMO C=CCCCCCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000563374701 435265576 /nfs/dbraw/zinc/26/55/76/435265576.db2.gz VFABUEGCKGDNOR-UHFFFAOYSA-N 1 1 307.482 3.393 10 30 DGEEMO COc1cc2c(cc1C[NH+]1CCC(C)(C#N)CC1)O[C@H](C)C2 ZINC000540952550 435627566 /nfs/dbraw/zinc/62/75/66/435627566.db2.gz QWKRCVXDQIATJL-CYBMUJFWSA-N 1 1 300.402 3.144 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000519690939 435698885 /nfs/dbraw/zinc/69/88/85/435698885.db2.gz CGRCDQOSRKYBPL-LJQANCHMSA-N 1 1 314.473 3.415 10 30 DGEEMO C=CCN(CC1CCCCC1)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000542719011 341018839 /nfs/dbraw/zinc/01/88/39/341018839.db2.gz XBUCMYASMKGLGI-UHFFFAOYSA-N 1 1 315.461 3.357 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](OC)C2)cc1OC ZINC000249153354 341394801 /nfs/dbraw/zinc/39/48/01/341394801.db2.gz HSWKJQUDTAHBDS-KBXCAEBGSA-N 1 1 305.418 3.117 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000449460889 534882619 /nfs/dbraw/zinc/88/26/19/534882619.db2.gz ODWZHPKGELNLBJ-IPMKNSEASA-N 1 1 301.430 3.377 10 30 DGEEMO CC#CCC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000360485318 526308187 /nfs/dbraw/zinc/30/81/87/526308187.db2.gz BRILJHVQVVSASZ-FXAWDEMLSA-N 1 1 313.489 3.336 10 30 DGEEMO C=C(C)C[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000441218887 526608163 /nfs/dbraw/zinc/60/81/63/526608163.db2.gz UORFKOLKHUPYKI-QFBILLFUSA-N 1 1 301.478 3.498 10 30 DGEEMO C#CCCCCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000365767324 526687700 /nfs/dbraw/zinc/68/77/00/526687700.db2.gz XZBKIRZJVYXYDM-UXHICEINSA-N 1 1 324.468 3.161 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)cc1 ZINC000355656671 526873499 /nfs/dbraw/zinc/87/34/99/526873499.db2.gz KIGOOULVSKLTOF-PKOBYXMFSA-N 1 1 317.429 3.021 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000355151532 526932971 /nfs/dbraw/zinc/93/29/71/526932971.db2.gz RNAIGNVQRFXWKQ-JENIJYKNSA-N 1 1 317.429 3.020 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000355151532 526932976 /nfs/dbraw/zinc/93/29/76/526932976.db2.gz RNAIGNVQRFXWKQ-JENIJYKNSA-N 1 1 317.429 3.020 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000355151533 526933800 /nfs/dbraw/zinc/93/38/00/526933800.db2.gz RNAIGNVQRFXWKQ-ZIFCJYIRSA-N 1 1 317.429 3.020 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000355151533 526933805 /nfs/dbraw/zinc/93/38/05/526933805.db2.gz RNAIGNVQRFXWKQ-ZIFCJYIRSA-N 1 1 317.429 3.020 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000355658715 526933889 /nfs/dbraw/zinc/93/38/89/526933889.db2.gz MBAHSFOYENPPPR-IEBWSBKVSA-N 1 1 317.429 3.021 10 30 DGEEMO C=CCSCC[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000346654636 527006318 /nfs/dbraw/zinc/00/63/18/527006318.db2.gz UASAMZZLGHSLHB-MRXNPFEDSA-N 1 1 303.406 3.214 10 30 DGEEMO C#CCOc1ccc(C[NH2+][C@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000153827355 527106885 /nfs/dbraw/zinc/10/68/85/527106885.db2.gz UPOQRTIJGWKLOH-KRWDZBQOSA-N 1 1 324.428 3.038 10 30 DGEEMO C=CC[C@H](C)NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000342098174 527130643 /nfs/dbraw/zinc/13/06/43/527130643.db2.gz DUOARFFNFVQVLF-WMZOPIPTSA-N 1 1 315.461 3.305 10 30 DGEEMO C=CCc1cccc(C(C)C)c1NC(=O)N1CC[NH+](C)CC1 ZINC000355607206 527259407 /nfs/dbraw/zinc/25/94/07/527259407.db2.gz MRWDRBSFWKKROS-UHFFFAOYSA-N 1 1 301.434 3.318 10 30 DGEEMO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000347305537 527454729 /nfs/dbraw/zinc/45/47/29/527454729.db2.gz LUAYGKCBXYCSOQ-HUUCEWRRSA-N 1 1 305.422 3.191 10 30 DGEEMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000347305537 527454735 /nfs/dbraw/zinc/45/47/35/527454735.db2.gz LUAYGKCBXYCSOQ-HUUCEWRRSA-N 1 1 305.422 3.191 10 30 DGEEMO CC(C)(C#N)CCCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000444594269 527460782 /nfs/dbraw/zinc/46/07/82/527460782.db2.gz SENVBNZFTAPMJJ-UHFFFAOYSA-N 1 1 319.493 3.431 10 30 DGEEMO CCOc1c(C[NH+]2CCC(C)(C#N)CC2)c(C)nn1CC(C)C ZINC000356945946 528166570 /nfs/dbraw/zinc/16/65/70/528166570.db2.gz IZWRIHUJUYBGGI-UHFFFAOYSA-N 1 1 318.465 3.372 10 30 DGEEMO Cc1nc(C2(NC(=O)CC[N@@H+]3CCCC[C@@H]3C)CCCC2)no1 ZINC000328802487 546481493 /nfs/dbraw/zinc/48/14/93/546481493.db2.gz ZXZMZIADBSENQK-ZDUSSCGKSA-N 1 1 320.437 3.368 10 30 DGEEMO N#C[C@H]1C[N@@H+](Cn2ccc(=S)c3ccccc32)CCN1C1CC1 ZINC000732673042 574578577 /nfs/dbraw/zinc/57/85/77/574578577.db2.gz SUWHSKYHPKEROI-HNNXBMFYSA-N 1 1 324.453 3.000 10 30 DGEEMO N#Cc1ccc(C[NH2+]Cc2nc(-c3ccncc3)cs2)cc1 ZINC000733332056 574616941 /nfs/dbraw/zinc/61/69/41/574616941.db2.gz XZVXGXPBTSSCQL-UHFFFAOYSA-N 1 1 306.394 3.367 10 30 DGEEMO Cc1ccc(N=NC(C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)nc1 ZINC000735613639 574708676 /nfs/dbraw/zinc/70/86/76/574708676.db2.gz FQCOJKNJQQVJBA-GOSISDBHSA-N 1 1 324.428 3.079 10 30 DGEEMO Cc1ccc(N=NC(C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1 ZINC000735613639 574708678 /nfs/dbraw/zinc/70/86/78/574708678.db2.gz FQCOJKNJQQVJBA-GOSISDBHSA-N 1 1 324.428 3.079 10 30 DGEEMO C=CCCCCC[N@H+](C)Cn1ncc2cc(C(=O)OC)ccc21 ZINC000739886179 574914750 /nfs/dbraw/zinc/91/47/50/574914750.db2.gz XZSQSXVBBZAKHL-UHFFFAOYSA-N 1 1 315.417 3.459 10 30 DGEEMO C#CC[N@@H+]1CCC[C@H]1COC(=O)/C=C(\C)c1ccccc1Cl ZINC000729812183 575263921 /nfs/dbraw/zinc/26/39/21/575263921.db2.gz OGJBEKCVIOGCTM-ZQHYZAEZSA-N 1 1 317.816 3.384 10 30 DGEEMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)C(C1CC1)C1CC1 ZINC000131111720 625944951 /nfs/dbraw/zinc/94/49/51/625944951.db2.gz BUGOAMQYQZBSRV-UHFFFAOYSA-N 1 1 321.428 3.203 10 30 DGEEMO CCc1ccc(NC(=[NH2+])NCc2nc3cccc(C)c3[nH]2)cc1 ZINC000305705836 657729742 /nfs/dbraw/zinc/72/97/42/657729742.db2.gz HSTACSZOLLSXJH-UHFFFAOYSA-N 1 1 307.401 3.361 10 30 DGEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cncc(C#N)c1 ZINC000721597383 658740489 /nfs/dbraw/zinc/74/04/89/658740489.db2.gz KFJKGDNYECLZQN-QGZVFWFLSA-N 1 1 320.440 3.050 10 30 DGEEMO C=CCc1cc(OC)cc(CN(C)C[C@H]2CCC[N@@H+]2CC)c1O ZINC000164445718 658935511 /nfs/dbraw/zinc/93/55/11/658935511.db2.gz FFRVGERJAKLPLA-QGZVFWFLSA-N 1 1 318.461 3.045 10 30 DGEEMO C=CCc1cc(OC)cc(C[N@@H+](C)C[C@H]2CCCN2CC)c1O ZINC000164445718 658935513 /nfs/dbraw/zinc/93/55/13/658935513.db2.gz FFRVGERJAKLPLA-QGZVFWFLSA-N 1 1 318.461 3.045 10 30 DGEEMO C=CCc1cc(OC)cc(C[N@H+](C)C[C@H]2CCCN2CC)c1O ZINC000164445718 658935518 /nfs/dbraw/zinc/93/55/18/658935518.db2.gz FFRVGERJAKLPLA-QGZVFWFLSA-N 1 1 318.461 3.045 10 30 DGEEMO C#CCOc1ccccc1C[N@H+](C)Cc1ccc(Cl)nc1 ZINC000170953627 659251131 /nfs/dbraw/zinc/25/11/31/659251131.db2.gz UNEYHCCHGCTGBO-UHFFFAOYSA-N 1 1 300.789 3.379 10 30 DGEEMO C#CCOc1ccccc1C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000170953627 659251132 /nfs/dbraw/zinc/25/11/32/659251132.db2.gz UNEYHCCHGCTGBO-UHFFFAOYSA-N 1 1 300.789 3.379 10 30 DGEEMO C#CC[N@H+](Cc1ccc(OCc2nccn2C)cc1)C1CCCC1 ZINC000155795705 661852547 /nfs/dbraw/zinc/85/25/47/661852547.db2.gz VNYIXKZZFZKRQW-UHFFFAOYSA-N 1 1 323.440 3.377 10 30 DGEEMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000245733768 662240021 /nfs/dbraw/zinc/24/00/21/662240021.db2.gz KCHRZFRZKAKHNP-KBPBESRZSA-N 1 1 309.417 3.061 10 30 DGEEMO CC(C)[N@@H+](C)CCCNc1ccc(C#N)c(Br)c1 ZINC000226253441 1176766914 /nfs/dbraw/zinc/76/69/14/1176766914.db2.gz KRNXZTHNNITRNW-UHFFFAOYSA-N 1 1 310.239 3.463 10 30 DGEEMO CC[N@H+](C)CCNCc1cccc(OCc2ccccc2C#N)c1 ZINC000066905467 1195572456 /nfs/dbraw/zinc/57/24/56/1195572456.db2.gz HUQBKPMCHXOADV-UHFFFAOYSA-N 1 1 323.440 3.179 10 30 DGEEMO CC[N@@H+](C)CCNCc1cccc(OCc2ccccc2C#N)c1 ZINC000066905467 1195572458 /nfs/dbraw/zinc/57/24/58/1195572458.db2.gz HUQBKPMCHXOADV-UHFFFAOYSA-N 1 1 323.440 3.179 10 30 DGEEMO C=CCOc1ccc(C[NH2+]C[C@H](CC)N2CCCC2)cc1OC ZINC000075776418 1196420349 /nfs/dbraw/zinc/42/03/49/1196420349.db2.gz RNJJNOZFUBCXRN-KRWDZBQOSA-N 1 1 318.461 3.224 10 30 DGEEMO N#Cc1ccc(Br)cc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000123362806 1200277645 /nfs/dbraw/zinc/27/76/45/1200277645.db2.gz DUNBDBICLQWBST-ZIAGYGMSSA-N 1 1 320.234 3.359 10 30 DGEEMO C[C@H]1C[C@@H](Nc2cc(Br)ccc2C#N)CC[N@H+]1C ZINC000123364014 1200278411 /nfs/dbraw/zinc/27/84/11/1200278411.db2.gz WEJNXBPHEGSLGJ-GWCFXTLKSA-N 1 1 308.223 3.215 10 30 DGEEMO C[C@H](Cc1ccsc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156634068 1202601108 /nfs/dbraw/zinc/60/11/08/1202601108.db2.gz RVWICCHRAKLVOK-DYVFJYSZSA-N 1 1 300.427 3.216 10 30 DGEEMO C[C@H]1C[C@H](Nc2cc(Br)ccc2C#N)C[N@H+]1C1CC1 ZINC000235686892 1202604723 /nfs/dbraw/zinc/60/47/23/1202604723.db2.gz DPTREDQAMXMOSI-GWCFXTLKSA-N 1 1 320.234 3.358 10 30 DGEEMO N#Cc1ccncc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000310201939 231113320 /nfs/dbraw/zinc/11/33/20/231113320.db2.gz BXUQQBOIYXIRSM-CEXWTWQISA-N 1 1 318.424 3.276 10 30 DGEEMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000092587944 185327804 /nfs/dbraw/zinc/32/78/04/185327804.db2.gz VPMAEYIUDHOQNN-JKSUJKDBSA-N 1 1 301.434 3.238 10 30 DGEEMO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCn3nc(CC)nc32)cc1 ZINC000167784075 432066380 /nfs/dbraw/zinc/06/63/80/432066380.db2.gz WTIHYCORYIXSBB-PBHICJAKSA-N 1 1 324.428 3.038 10 30 DGEEMO C=C(C)CN(C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000180832796 432103271 /nfs/dbraw/zinc/10/32/71/432103271.db2.gz AHHHVXVMRCPRGP-GOSISDBHSA-N 1 1 315.461 3.259 10 30 DGEEMO C=CCCOCC[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449202016 240065592 /nfs/dbraw/zinc/06/55/92/240065592.db2.gz FMQDMNJUXDZXAJ-GOSISDBHSA-N 1 1 316.489 3.264 10 30 DGEEMO C=CCOc1ccccc1CN1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000449346560 240145830 /nfs/dbraw/zinc/14/58/30/240145830.db2.gz NTAWXRCMVDMSOD-INIZCTEOSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000449346560 240145835 /nfs/dbraw/zinc/14/58/35/240145835.db2.gz NTAWXRCMVDMSOD-INIZCTEOSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000449346560 240145841 /nfs/dbraw/zinc/14/58/41/240145841.db2.gz NTAWXRCMVDMSOD-INIZCTEOSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CC[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000275193770 212186664 /nfs/dbraw/zinc/18/66/64/212186664.db2.gz XHJQDZMZHWDWKI-IPQPSQTFSA-N 1 1 312.457 3.478 10 30 DGEEMO C=CCN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc([N+](=O)[O-])c1 ZINC000472781795 244315732 /nfs/dbraw/zinc/31/57/32/244315732.db2.gz BUFRYMIAYWPAFN-KRWDZBQOSA-N 1 1 317.433 3.457 10 30 DGEEMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)o1 ZINC000093838459 193315196 /nfs/dbraw/zinc/31/51/96/193315196.db2.gz AQVKVPNFJOUYIZ-CQSZACIVSA-N 1 1 302.761 3.458 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)o1 ZINC000093838459 193315198 /nfs/dbraw/zinc/31/51/98/193315198.db2.gz AQVKVPNFJOUYIZ-CQSZACIVSA-N 1 1 302.761 3.458 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)o1 ZINC000093842973 193315576 /nfs/dbraw/zinc/31/55/76/193315576.db2.gz DFFKSLFYJQNHHN-GOSISDBHSA-N 1 1 310.397 3.375 10 30 DGEEMO N#Cc1ccc(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)o1 ZINC000093842973 193315577 /nfs/dbraw/zinc/31/55/77/193315577.db2.gz DFFKSLFYJQNHHN-GOSISDBHSA-N 1 1 310.397 3.375 10 30 DGEEMO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093845395 193318022 /nfs/dbraw/zinc/31/80/22/193318022.db2.gz LWBNGMBQGURELR-GOSISDBHSA-N 1 1 319.412 3.272 10 30 DGEEMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093845395 193318023 /nfs/dbraw/zinc/31/80/23/193318023.db2.gz LWBNGMBQGURELR-GOSISDBHSA-N 1 1 319.412 3.272 10 30 DGEEMO C[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccccc1 ZINC000093867465 193321662 /nfs/dbraw/zinc/32/16/62/193321662.db2.gz RZETZFFNIBOVJR-LIRRHRJNSA-N 1 1 302.381 3.399 10 30 DGEEMO C[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccccc1 ZINC000093867465 193321664 /nfs/dbraw/zinc/32/16/64/193321664.db2.gz RZETZFFNIBOVJR-LIRRHRJNSA-N 1 1 302.381 3.399 10 30 DGEEMO CC[N@H+]1CC[C@H](N(C)CC#Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000246449171 432131611 /nfs/dbraw/zinc/13/16/11/432131611.db2.gz FFTXYXMPGHLVSP-YJBOKZPZSA-N 1 1 304.865 3.354 10 30 DGEEMO Cc1cc(C#N)cc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000342847044 254064702 /nfs/dbraw/zinc/06/47/02/254064702.db2.gz GOPWYIAZNCTMBL-KDOFPFPSSA-N 1 1 306.413 3.194 10 30 DGEEMO C=CCOC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccc(C)s2)O1 ZINC000248063472 257111250 /nfs/dbraw/zinc/11/12/50/257111250.db2.gz DPHQBOKDTYJFOC-XIRDDKMYSA-N 1 1 307.459 3.381 10 30 DGEEMO C=CCCCCCNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000581378365 400079351 /nfs/dbraw/zinc/07/93/51/400079351.db2.gz IBJZIBPHIGMCHT-QGZVFWFLSA-N 1 1 307.482 3.106 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)Cc1ccccc1C ZINC000581864001 400083324 /nfs/dbraw/zinc/08/33/24/400083324.db2.gz ZWIDWFCIABFGRQ-KRWDZBQOSA-N 1 1 302.462 3.282 10 30 DGEEMO CC[N@H+](Cc1ccc(Br)cc1C#N)[C@H]1CCCOC1 ZINC000402813375 400292910 /nfs/dbraw/zinc/29/29/10/400292910.db2.gz FLZILXYNRSWWCV-HNNXBMFYSA-N 1 1 323.234 3.322 10 30 DGEEMO CC[N@@H+](Cc1ccc(Br)cc1C#N)[C@H]1CCCOC1 ZINC000402813375 400292915 /nfs/dbraw/zinc/29/29/15/400292915.db2.gz FLZILXYNRSWWCV-HNNXBMFYSA-N 1 1 323.234 3.322 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000125380376 400481761 /nfs/dbraw/zinc/48/17/61/400481761.db2.gz WPVWYNJOCZSCRB-SFHVURJKSA-N 1 1 315.461 3.259 10 30 DGEEMO C=CC[C@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000188264684 400908119 /nfs/dbraw/zinc/90/81/19/400908119.db2.gz XULBDEHEXCZFMA-AEFFLSMTSA-N 1 1 300.446 3.337 10 30 DGEEMO C=CCCCCC[N@H+](C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000606902249 400979114 /nfs/dbraw/zinc/97/91/14/400979114.db2.gz IMERCFMJDXZIDW-UHFFFAOYSA-N 1 1 313.445 3.301 10 30 DGEEMO C=CCCn1cc(CSCC[N@H+](C)Cc2ccccc2)nn1 ZINC000594448097 401071781 /nfs/dbraw/zinc/07/17/81/401071781.db2.gz AFZZQKUACQSFGD-UHFFFAOYSA-N 1 1 316.474 3.219 10 30 DGEEMO C=CCOc1ccccc1C[NH2+]Cc1cc(C(=O)OC)oc1C ZINC000594608083 401129708 /nfs/dbraw/zinc/12/97/08/401129708.db2.gz IBOQRBAHFADVIS-UHFFFAOYSA-N 1 1 315.369 3.229 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CCC(=O)Nc2ccc(OCC)cc2)C1 ZINC000625702406 401185519 /nfs/dbraw/zinc/18/55/19/401185519.db2.gz FIAIFFCDXRSRKL-HNNXBMFYSA-N 1 1 302.418 3.312 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)c2cc(C)n(CCCOC)c2C)C1 ZINC000625702178 401186591 /nfs/dbraw/zinc/18/65/91/401186591.db2.gz DWIQLZWLCCYBOZ-KRWDZBQOSA-N 1 1 318.461 3.222 10 30 DGEEMO C=CC[C@H]1CC[N@@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000625705262 401187635 /nfs/dbraw/zinc/18/76/35/401187635.db2.gz TUIDMRQERODGMW-NSHDSACASA-N 1 1 303.793 3.387 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000625705262 401187644 /nfs/dbraw/zinc/18/76/44/401187644.db2.gz TUIDMRQERODGMW-NSHDSACASA-N 1 1 303.793 3.387 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000625705239 401187902 /nfs/dbraw/zinc/18/79/02/401187902.db2.gz ZDMLCVMFDPMRPU-LBPRGKRZSA-N 1 1 308.809 3.185 10 30 DGEEMO C=CC[C@@H]1CC[N@@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000625703377 401188351 /nfs/dbraw/zinc/18/83/51/401188351.db2.gz KMBFRMRUYPGWAW-LLVKDONJSA-N 1 1 303.793 3.387 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000625703377 401188353 /nfs/dbraw/zinc/18/83/53/401188353.db2.gz KMBFRMRUYPGWAW-LLVKDONJSA-N 1 1 303.793 3.387 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000628491540 401607842 /nfs/dbraw/zinc/60/78/42/401607842.db2.gz AMOIAXNTSPSXHN-CQSZACIVSA-N 1 1 323.440 3.194 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000628491540 401607843 /nfs/dbraw/zinc/60/78/43/401607843.db2.gz AMOIAXNTSPSXHN-CQSZACIVSA-N 1 1 323.440 3.194 10 30 DGEEMO C=CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC000628964732 401651246 /nfs/dbraw/zinc/65/12/46/401651246.db2.gz GVVAHVFMSWECEV-RBUKOAKNSA-N 1 1 312.457 3.479 10 30 DGEEMO COc1ccc([C@@H]2C[C@@H](C)[N@@H+](Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000191386842 165248854 /nfs/dbraw/zinc/24/88/54/165248854.db2.gz SFLOIOXUJDPVIQ-RHSMWYFYSA-N 1 1 309.413 3.283 10 30 DGEEMO Cc1cc([C@H]2C[N@H+](CCCSCC#N)CCO2)ccc1F ZINC000128686088 227011522 /nfs/dbraw/zinc/01/15/22/227011522.db2.gz XRCAOVJYOCVSHC-MRXNPFEDSA-N 1 1 308.422 3.154 10 30 DGEEMO Cc1cc([C@H]2C[N@@H+](CCCSCC#N)CCO2)ccc1F ZINC000128686088 227011528 /nfs/dbraw/zinc/01/15/28/227011528.db2.gz XRCAOVJYOCVSHC-MRXNPFEDSA-N 1 1 308.422 3.154 10 30 DGEEMO C[C@H]1C[N@H+](CCCSCC#N)C[C@H](c2ccc(F)cc2)O1 ZINC000173899582 228285800 /nfs/dbraw/zinc/28/58/00/228285800.db2.gz LAOIDNKEWAADJY-XJKSGUPXSA-N 1 1 308.422 3.234 10 30 DGEEMO C[C@H]1C[N@@H+](CCCSCC#N)C[C@H](c2ccc(F)cc2)O1 ZINC000173899582 228285803 /nfs/dbraw/zinc/28/58/03/228285803.db2.gz LAOIDNKEWAADJY-XJKSGUPXSA-N 1 1 308.422 3.234 10 30 DGEEMO C=CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000247422214 432229571 /nfs/dbraw/zinc/22/95/71/432229571.db2.gz OBYOPBMGTXTABW-YJBOKZPZSA-N 1 1 316.445 3.054 10 30 DGEEMO C[C@@H]1CCC[N@H+]1C1CCN(c2snc(Cl)c2C#N)CC1 ZINC000301781668 274292542 /nfs/dbraw/zinc/29/25/42/274292542.db2.gz NGXQVFXRSLSVCZ-SNVBAGLBSA-N 1 1 310.854 3.121 10 30 DGEEMO N#Cc1cc(F)ccc1N1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299747500 274919873 /nfs/dbraw/zinc/91/98/73/274919873.db2.gz DFUFOEXTGHINIQ-HNNXBMFYSA-N 1 1 310.376 3.224 10 30 DGEEMO COc1ccc(CC2CC[NH+](C[C@H](C#N)CCC#N)CC2)cc1 ZINC000112560143 431285207 /nfs/dbraw/zinc/28/52/07/431285207.db2.gz IFSOFIZYPYSLPB-SFHVURJKSA-N 1 1 311.429 3.393 10 30 DGEEMO C=CCC[C@@H](C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ccc(C)nn1 ZINC000072480466 431335031 /nfs/dbraw/zinc/33/50/31/431335031.db2.gz ZDIKFPWZHLDUND-KSZLIROESA-N 1 1 313.445 3.397 10 30 DGEEMO C=C(C)C[N@H+](CC)CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 ZINC000114712607 431406224 /nfs/dbraw/zinc/40/62/24/431406224.db2.gz VGVJMUOXBQQWPM-GOSISDBHSA-N 1 1 316.445 3.257 10 30 DGEEMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]1c1ccco1 ZINC000116288921 431499002 /nfs/dbraw/zinc/49/90/02/431499002.db2.gz INLDBQHYYWFAOB-ZDUSSCGKSA-N 1 1 315.398 3.378 10 30 DGEEMO Cc1ccccc1OCC[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000121535073 431800019 /nfs/dbraw/zinc/80/00/19/431800019.db2.gz OHOAJENNQJIAJS-UHFFFAOYSA-N 1 1 320.396 3.025 10 30 DGEEMO C=CC[N@H+](C)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000121576638 431802872 /nfs/dbraw/zinc/80/28/72/431802872.db2.gz WNGWHYQYXKXJHY-IBGZPJMESA-N 1 1 311.425 3.271 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000123654786 431870365 /nfs/dbraw/zinc/87/03/65/431870365.db2.gz DQMAIBVBARHQRE-CABCVRRESA-N 1 1 315.335 3.139 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000123655065 431870636 /nfs/dbraw/zinc/87/06/36/431870636.db2.gz DQMAIBVBARHQRE-GJZGRUSLSA-N 1 1 315.335 3.139 10 30 DGEEMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3Cc3ccccc3)n2c1 ZINC000124965327 431910207 /nfs/dbraw/zinc/91/02/07/431910207.db2.gz YAYBSHROOHAYAT-GOSISDBHSA-N 1 1 316.408 3.413 10 30 DGEEMO CCc1ccc([C@@H]2CCCC[N@H+]2CCC(=O)N(C)CCC#N)o1 ZINC000092797750 431912358 /nfs/dbraw/zinc/91/23/58/431912358.db2.gz BFHHLPNSQOQWPH-INIZCTEOSA-N 1 1 317.433 3.131 10 30 DGEEMO C=CCc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(OC)c1O ZINC000093644158 431915281 /nfs/dbraw/zinc/91/52/81/431915281.db2.gz DERIMUBUZXWLKP-WMLDXEAASA-N 1 1 318.461 3.044 10 30 DGEEMO C=CCc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc(OC)c1O ZINC000093644158 431915282 /nfs/dbraw/zinc/91/52/82/431915282.db2.gz DERIMUBUZXWLKP-WMLDXEAASA-N 1 1 318.461 3.044 10 30 DGEEMO C=CCc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc(OC)c1O ZINC000093644158 431915284 /nfs/dbraw/zinc/91/52/84/431915284.db2.gz DERIMUBUZXWLKP-WMLDXEAASA-N 1 1 318.461 3.044 10 30 DGEEMO CC[N@@H+](C[C@H](O)COC(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340447 431969290 /nfs/dbraw/zinc/96/92/90/431969290.db2.gz HXKSBTCRYDBXBN-YOEHRIQHSA-N 1 1 304.434 3.117 10 30 DGEEMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248551665 432300409 /nfs/dbraw/zinc/30/04/09/432300409.db2.gz ISQCHIAIKIFGSA-RDJZCZTQSA-N 1 1 304.821 3.339 10 30 DGEEMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248551665 432300414 /nfs/dbraw/zinc/30/04/14/432300414.db2.gz ISQCHIAIKIFGSA-RDJZCZTQSA-N 1 1 304.821 3.339 10 30 DGEEMO C=C(C)CN(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248059876 432266894 /nfs/dbraw/zinc/26/68/94/432266894.db2.gz OZMLKZDUBITLET-SJORKVTESA-N 1 1 301.434 3.039 10 30 DGEEMO Cn1cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cc1C#N ZINC000248906866 432329175 /nfs/dbraw/zinc/32/91/75/432329175.db2.gz WUZYAUDNSXQOIR-GOEBONIOSA-N 1 1 315.442 3.046 10 30 DGEEMO C=CC[N@H+](CCO[C@@H]1CCCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000193046198 432442638 /nfs/dbraw/zinc/44/26/38/432442638.db2.gz MLGIFPMNEXDDHI-QGZVFWFLSA-N 1 1 320.389 3.126 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCC[C@H](NC(C)=O)C2)cc1Cl ZINC000153825236 432446235 /nfs/dbraw/zinc/44/62/35/432446235.db2.gz BNLRCTWGMYKLJB-HNNXBMFYSA-N 1 1 322.836 3.005 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)cc1Cl ZINC000153825236 432446239 /nfs/dbraw/zinc/44/62/39/432446239.db2.gz BNLRCTWGMYKLJB-HNNXBMFYSA-N 1 1 322.836 3.005 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193771667 432497942 /nfs/dbraw/zinc/49/79/42/432497942.db2.gz LQMFQEDZAQRMNA-AEFFLSMTSA-N 1 1 300.446 3.227 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000185570966 432512100 /nfs/dbraw/zinc/51/21/00/432512100.db2.gz AYCPBGFHGCBFLB-AEFFLSMTSA-N 1 1 300.446 3.370 10 30 DGEEMO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000186331008 432583244 /nfs/dbraw/zinc/58/32/44/432583244.db2.gz CVTJPQAFZIIRQP-HNNXBMFYSA-N 1 1 317.396 3.298 10 30 DGEEMO Cc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c(C)n1 ZINC000186660813 432619067 /nfs/dbraw/zinc/61/90/67/432619067.db2.gz KZSFPIGZOVUHRS-UHFFFAOYSA-N 1 1 320.440 3.282 10 30 DGEEMO C=C(C)COc1cc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)ccc1OC ZINC000276059514 432769044 /nfs/dbraw/zinc/76/90/44/432769044.db2.gz SHHOOHVVYAYQPV-QAQDUYKDSA-N 1 1 319.445 3.385 10 30 DGEEMO Cc1c(C#N)cccc1NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000178865257 432784053 /nfs/dbraw/zinc/78/40/53/432784053.db2.gz YRTUNIGFDJGKHC-MRXNPFEDSA-N 1 1 314.433 3.109 10 30 DGEEMO COc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000246002466 432873758 /nfs/dbraw/zinc/87/37/58/432873758.db2.gz JZABORGVJBERKO-WOJBJXKFSA-N 1 1 322.408 3.437 10 30 DGEEMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000245982311 432874119 /nfs/dbraw/zinc/87/41/19/432874119.db2.gz HBCAKLSGGWLPNR-UIAACRFSSA-N 1 1 306.409 3.470 10 30 DGEEMO C=C[C@@](C)(CCOC)C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000373689198 433159837 /nfs/dbraw/zinc/15/98/37/433159837.db2.gz ZRLVUHYDVNTTHO-IBGZPJMESA-N 1 1 314.429 3.332 10 30 DGEEMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)C1=O ZINC000337194553 433214176 /nfs/dbraw/zinc/21/41/76/433214176.db2.gz VKOQCXYDBBYYKN-IAGOWNOFSA-N 1 1 302.393 3.140 10 30 DGEEMO C=CCc1cc(C[N@@H+](C(C)C)[C@@H]2CCOC2)cc(OC)c1O ZINC000291317069 433232783 /nfs/dbraw/zinc/23/27/83/433232783.db2.gz SFQCSZFRXNQFAQ-MRXNPFEDSA-N 1 1 305.418 3.129 10 30 DGEEMO C=CCSc1ccccc1NC(=O)C[N@@H+](CC)[C@@H]1CCOC1 ZINC000361585376 433265934 /nfs/dbraw/zinc/26/59/34/433265934.db2.gz CPHUJNYEPVWJGT-CQSZACIVSA-N 1 1 320.458 3.014 10 30 DGEEMO C=CCSc1ccccc1NC(=O)C[N@H+](CC)[C@@H]1CCOC1 ZINC000361585376 433265939 /nfs/dbraw/zinc/26/59/39/433265939.db2.gz CPHUJNYEPVWJGT-CQSZACIVSA-N 1 1 320.458 3.014 10 30 DGEEMO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000338810130 433323999 /nfs/dbraw/zinc/32/39/99/433323999.db2.gz YBUFUHWCFAGHDX-CVEARBPZSA-N 1 1 317.481 3.042 10 30 DGEEMO C=CCC[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000374786503 433277017 /nfs/dbraw/zinc/27/70/17/433277017.db2.gz ZPYZMNPCTJVUIN-MRXNPFEDSA-N 1 1 324.428 3.418 10 30 DGEEMO C=CCCCNC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000447998310 433340868 /nfs/dbraw/zinc/34/08/68/433340868.db2.gz FROINCKKIRUCPK-IBGZPJMESA-N 1 1 315.461 3.307 10 30 DGEEMO C=CCCCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000448380994 433402092 /nfs/dbraw/zinc/40/20/92/433402092.db2.gz IFFIRVOWPGGCJG-IRXDYDNUSA-N 1 1 307.482 3.249 10 30 DGEEMO Cc1[nH+]ccn1Cc1cccc(CNc2cccc(C#N)n2)c1 ZINC000301520106 433591211 /nfs/dbraw/zinc/59/12/11/433591211.db2.gz KYNWQUIUZSTSDG-UHFFFAOYSA-N 1 1 303.369 3.119 10 30 DGEEMO C=C(C)COc1cc(C[N@@H+]2CC[C@@]23CCOC3)ccc1OC ZINC000421400109 433546677 /nfs/dbraw/zinc/54/66/77/433546677.db2.gz RJFMSEGBXUQRRA-SFHVURJKSA-N 1 1 303.402 3.015 10 30 DGEEMO C=C(C)COc1cc(C[N@H+]2CC[C@@]23CCOC3)ccc1OC ZINC000421400109 433546689 /nfs/dbraw/zinc/54/66/89/433546689.db2.gz RJFMSEGBXUQRRA-SFHVURJKSA-N 1 1 303.402 3.015 10 30 DGEEMO Cc1cc(C#N)cc(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)n1 ZINC000343026268 433769600 /nfs/dbraw/zinc/76/96/00/433769600.db2.gz MXFJRWBWVPDSCF-LJQANCHMSA-N 1 1 320.440 3.584 10 30 DGEEMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H](O)CC1CCCC1 ZINC000352814776 434051320 /nfs/dbraw/zinc/05/13/20/434051320.db2.gz JOFJMCTYNDQZKW-MRXNPFEDSA-N 1 1 307.434 3.091 10 30 DGEEMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)CCC1 ZINC000364375190 434270437 /nfs/dbraw/zinc/27/04/37/434270437.db2.gz OMDRIYKDARFWJJ-DLBZAZTESA-N 1 1 316.420 3.434 10 30 DGEEMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)CCC1 ZINC000364375190 434270451 /nfs/dbraw/zinc/27/04/51/434270451.db2.gz OMDRIYKDARFWJJ-DLBZAZTESA-N 1 1 316.420 3.434 10 30 DGEEMO Cc1cc(C#N)cc(N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)n1 ZINC000324161461 434272977 /nfs/dbraw/zinc/27/29/77/434272977.db2.gz PPLUWBORZUWABO-MRXNPFEDSA-N 1 1 320.440 3.220 10 30 DGEEMO CC(=O)Nc1ccn([C@@H]2CC[N@@H+](Cc3cc(C)oc3C)C2)n1 ZINC000328629537 434291273 /nfs/dbraw/zinc/29/12/73/434291273.db2.gz OXPDBTJAQNYYGQ-OAHLLOKOSA-N 1 1 302.378 3.148 10 30 DGEEMO CC(C)NC(=O)CC[N@@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000328625595 434291770 /nfs/dbraw/zinc/29/17/70/434291770.db2.gz DHSRNDZCKBAOLW-HNNXBMFYSA-N 1 1 304.438 3.180 10 30 DGEEMO CC(C)NC(=O)CC[N@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000328625595 434291779 /nfs/dbraw/zinc/29/17/79/434291779.db2.gz DHSRNDZCKBAOLW-HNNXBMFYSA-N 1 1 304.438 3.180 10 30 DGEEMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328643964 434291938 /nfs/dbraw/zinc/29/19/38/434291938.db2.gz FPJHLGRZEVHXLX-JSSFPYSZSA-N 1 1 317.433 3.131 10 30 DGEEMO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328708413 434302081 /nfs/dbraw/zinc/30/20/81/434302081.db2.gz QIYXKMDFIQHEED-CJNGLKHVSA-N 1 1 316.380 3.336 10 30 DGEEMO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328708413 434302087 /nfs/dbraw/zinc/30/20/87/434302087.db2.gz QIYXKMDFIQHEED-CJNGLKHVSA-N 1 1 316.380 3.336 10 30 DGEEMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@@H]1CCCCNC1=O ZINC000328752033 434306575 /nfs/dbraw/zinc/30/65/75/434306575.db2.gz CTENCLVDAHSCTI-LSDHHAIUSA-N 1 1 309.454 3.354 10 30 DGEEMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328779565 434310113 /nfs/dbraw/zinc/31/01/13/434310113.db2.gz IXDLNRPTOQXZEH-CABCVRRESA-N 1 1 309.454 3.210 10 30 DGEEMO C#CCC(C)(C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000365767485 434310724 /nfs/dbraw/zinc/31/07/24/434310724.db2.gz YUPAOTXBCVMFPY-MOPGFXCFSA-N 1 1 324.468 3.016 10 30 DGEEMO C#CCCC[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000287404054 434352017 /nfs/dbraw/zinc/35/20/17/434352017.db2.gz OEMCNSIBUJGFJN-LLVKDONJSA-N 1 1 301.312 3.115 10 30 DGEEMO C=CCc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cc(OC)c1O ZINC000438362149 434470703 /nfs/dbraw/zinc/47/07/03/434470703.db2.gz WTPGECSCODSJGN-BFHYXJOUSA-N 1 1 305.418 3.127 10 30 DGEEMO C=CCc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cc(OC)c1O ZINC000438362149 434470710 /nfs/dbraw/zinc/47/07/10/434470710.db2.gz WTPGECSCODSJGN-BFHYXJOUSA-N 1 1 305.418 3.127 10 30 DGEEMO C=CCC[C@H](NC(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1ccccc1 ZINC000417907789 434545956 /nfs/dbraw/zinc/54/59/56/434545956.db2.gz FLVVXQJRGQHFNY-FUHWJXTLSA-N 1 1 319.424 3.037 10 30 DGEEMO C#Cc1ccc(C[N@@H+]2CC[C@@H](OCc3c(C)noc3C)C2)cc1 ZINC000370730476 434618903 /nfs/dbraw/zinc/61/89/03/434618903.db2.gz OJWSHXQDSDFRMT-GOSISDBHSA-N 1 1 310.397 3.064 10 30 DGEEMO C#CCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000371624372 434732923 /nfs/dbraw/zinc/73/29/23/434732923.db2.gz KTVVNWGJKFJOFS-UXHICEINSA-N 1 1 324.468 3.446 10 30 DGEEMO C=CCN1CC[C@@H]([N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)C1=O ZINC000411992576 434852685 /nfs/dbraw/zinc/85/26/85/434852685.db2.gz VKGDZLFGCMWBBI-ZWKOTPCHSA-N 1 1 310.441 3.043 10 30 DGEEMO C=CCCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000467103892 435109324 /nfs/dbraw/zinc/10/93/24/435109324.db2.gz KTFFYRSBVGUWNY-ZBFHGGJFSA-N 1 1 321.490 3.349 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000533434916 435236340 /nfs/dbraw/zinc/23/63/40/435236340.db2.gz JVRFNPKXUIYQHH-SFHVURJKSA-N 1 1 302.462 3.440 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000565854517 435282711 /nfs/dbraw/zinc/28/27/11/435282711.db2.gz OERKVLOFBATTBQ-BQFCYCMXSA-N 1 1 300.446 3.368 10 30 DGEEMO C=CCCCCCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570411450 435618325 /nfs/dbraw/zinc/61/83/25/435618325.db2.gz OPVXAUGZVUSRAB-GOSISDBHSA-N 1 1 300.446 3.371 10 30 DGEEMO C=C(C)[C@H]([NH2+]CC(=O)NC(C)(C)CC)c1ccc(F)c(F)c1 ZINC000187764341 332346135 /nfs/dbraw/zinc/34/61/35/332346135.db2.gz KFOWDVUAYAYOQF-INIZCTEOSA-N 1 1 310.388 3.476 10 30 DGEEMO CC(C)c1nc(C2([NH2+]CCCSCC#N)CCCC2)no1 ZINC000173902121 340377263 /nfs/dbraw/zinc/37/72/63/340377263.db2.gz ZINDBUNKKYWETK-UHFFFAOYSA-N 1 1 308.451 3.199 10 30 DGEEMO COc1ccc(OC)c(C[N@@H+](CCCSCC#N)C2CC2)c1 ZINC000074980557 341158665 /nfs/dbraw/zinc/15/86/65/341158665.db2.gz WAMREROOKBALSS-UHFFFAOYSA-N 1 1 320.458 3.315 10 30 DGEEMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000246860335 341358004 /nfs/dbraw/zinc/35/80/04/341358004.db2.gz POJAHZUBKIYHHM-DLBZAZTESA-N 1 1 305.393 3.190 10 30 DGEEMO N#Cc1ccc(NCC[N@H+]2CCc3c(Cl)cccc3C2)cn1 ZINC000302697411 534793782 /nfs/dbraw/zinc/79/37/82/534793782.db2.gz WQYHVJANYCATJD-UHFFFAOYSA-N 1 1 312.804 3.077 10 30 DGEEMO N#Cc1ccc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)cn1 ZINC000302697411 534793785 /nfs/dbraw/zinc/79/37/85/534793785.db2.gz WQYHVJANYCATJD-UHFFFAOYSA-N 1 1 312.804 3.077 10 30 DGEEMO N#Cc1csc(C[N@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)c1 ZINC000299738492 534829224 /nfs/dbraw/zinc/82/92/24/534829224.db2.gz BKWTVPKCFOKHCO-CQSZACIVSA-N 1 1 312.442 3.142 10 30 DGEEMO C=CC[N@H+](CCc1cnn(CC)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000348269635 526329175 /nfs/dbraw/zinc/32/91/75/526329175.db2.gz HXLSRVMKVJZGKB-UHFFFAOYSA-N 1 1 314.389 3.042 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360708263 526542477 /nfs/dbraw/zinc/54/24/77/526542477.db2.gz ROGOJBQEPWHTMC-INIZCTEOSA-N 1 1 312.457 3.347 10 30 DGEEMO C#CCCCCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000152136368 526702205 /nfs/dbraw/zinc/70/22/05/526702205.db2.gz NJOBVGINPJNTMK-OAHLLOKOSA-N 1 1 324.428 3.344 10 30 DGEEMO C=CCOc1ccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000354174284 526872339 /nfs/dbraw/zinc/87/23/39/526872339.db2.gz BGEULSYXMUUODM-LJQANCHMSA-N 1 1 300.446 3.169 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000354174284 526872361 /nfs/dbraw/zinc/87/23/61/526872361.db2.gz BGEULSYXMUUODM-LJQANCHMSA-N 1 1 300.446 3.169 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000354174284 526872367 /nfs/dbraw/zinc/87/23/67/526872367.db2.gz BGEULSYXMUUODM-LJQANCHMSA-N 1 1 300.446 3.169 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2C[C@@H](CC)O[C@]3(CCOC3)C2)cc1 ZINC000355656666 526873346 /nfs/dbraw/zinc/87/33/46/526873346.db2.gz KIGOOULVSKLTOF-IEBWSBKVSA-N 1 1 317.429 3.021 10 30 DGEEMO C=C(Cl)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000157889251 526885072 /nfs/dbraw/zinc/88/50/72/526885072.db2.gz JEHMQZYHPNARKO-UHFFFAOYSA-N 1 1 304.821 3.040 10 30 DGEEMO C=CCOc1cccc(C[NH+]2CCN(c3cnccc3C)CC2)c1 ZINC000343663429 526900609 /nfs/dbraw/zinc/90/06/09/526900609.db2.gz SGLVGGLNSCIPLE-UHFFFAOYSA-N 1 1 323.440 3.277 10 30 DGEEMO C=C1CC[NH+]([C@@H]2CCCN(c3ccc(F)cc3C)C2=O)CC1 ZINC000343910521 526908464 /nfs/dbraw/zinc/90/84/64/526908464.db2.gz DADAVVFQCQVZNB-QGZVFWFLSA-N 1 1 302.393 3.282 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21 ZINC000161171314 527192276 /nfs/dbraw/zinc/19/22/76/527192276.db2.gz TXDQHHOKVGZOMB-UHFFFAOYSA-N 1 1 314.385 3.035 10 30 DGEEMO C=CCCCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000448380988 527218051 /nfs/dbraw/zinc/21/80/51/527218051.db2.gz IFFIRVOWPGGCJG-DLBZAZTESA-N 1 1 307.482 3.249 10 30 DGEEMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000359514234 527274923 /nfs/dbraw/zinc/27/49/23/527274923.db2.gz JUWCQPUBONWMOT-UONOGXRCSA-N 1 1 304.394 3.221 10 30 DGEEMO C=CCC[N@H+](C)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000342740798 527318632 /nfs/dbraw/zinc/31/86/32/527318632.db2.gz XRUCJQKDZBYEEA-INIZCTEOSA-N 1 1 300.446 3.322 10 30 DGEEMO CC(C)C(=O)NC1CC[NH+](Cc2nc3cccnc3s2)CC1 ZINC000328882397 527383571 /nfs/dbraw/zinc/38/35/71/527383571.db2.gz MSPIOXZECRCMFJ-UHFFFAOYSA-N 1 1 318.446 3.268 10 30 DGEEMO Clc1ccc(C#CC[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000152205866 546000823 /nfs/dbraw/zinc/00/08/23/546000823.db2.gz LMLANDARUHSDPV-SFHVURJKSA-N 1 1 312.800 3.240 10 30 DGEEMO Clc1ccc(C#CC[N@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000152205866 546000831 /nfs/dbraw/zinc/00/08/31/546000831.db2.gz LMLANDARUHSDPV-SFHVURJKSA-N 1 1 312.800 3.240 10 30 DGEEMO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000329176433 546483823 /nfs/dbraw/zinc/48/38/23/546483823.db2.gz MVMWENYODQOULV-SWLSCSKDSA-N 1 1 318.465 3.114 10 30 DGEEMO C#Cc1cccc(NC(=S)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000741493140 574557883 /nfs/dbraw/zinc/55/78/83/574557883.db2.gz ROMUXSIQEMGIOC-WMLDXEAASA-N 1 1 315.486 3.027 10 30 DGEEMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735311081 574697231 /nfs/dbraw/zinc/69/72/31/574697231.db2.gz JILXUBWGQXKMHH-JKSUJKDBSA-N 1 1 322.836 3.368 10 30 DGEEMO C=C(Cl)CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000736399219 574747442 /nfs/dbraw/zinc/74/74/42/574747442.db2.gz VZWLRFNYZYHPTL-INIZCTEOSA-N 1 1 321.852 3.093 10 30 DGEEMO C=C(C)CNC(=S)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000741500515 574960281 /nfs/dbraw/zinc/96/02/81/574960281.db2.gz ZCGFKRLGXUNTSS-HIFRSBDPSA-N 1 1 323.531 3.171 10 30 DGEEMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CCSc1ccc(C)cc1 ZINC000729808469 575263346 /nfs/dbraw/zinc/26/33/46/575263346.db2.gz CDFUJONJUWVRKM-INIZCTEOSA-N 1 1 317.454 3.118 10 30 DGEEMO C#CCOc1ccc(C[NH2+]Cc2nc3c(cccc3C)[nH]2)cc1 ZINC000153636865 620588985 /nfs/dbraw/zinc/58/89/85/620588985.db2.gz QFMSQBMFZYRCOK-UHFFFAOYSA-N 1 1 305.381 3.173 10 30 DGEEMO C#CCOc1ccc(C[NH2+]Cc2nc3cccc(C)c3[nH]2)cc1 ZINC000153636865 620588990 /nfs/dbraw/zinc/58/89/90/620588990.db2.gz QFMSQBMFZYRCOK-UHFFFAOYSA-N 1 1 305.381 3.173 10 30 DGEEMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@H](C)CC1 ZINC000131105004 625943883 /nfs/dbraw/zinc/94/38/83/625943883.db2.gz NQWDJRYLMLHLPP-AWEZNQCLSA-N 1 1 309.417 3.205 10 30 DGEEMO C#CC[N@H+](CCC(=O)Nc1ccccc1OCC)C1CCCC1 ZINC000138354723 627166668 /nfs/dbraw/zinc/16/66/68/627166668.db2.gz WUCBPMZKAAYTHB-UHFFFAOYSA-N 1 1 314.429 3.292 10 30 DGEEMO C=C(C)[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000290800037 655726603 /nfs/dbraw/zinc/72/66/03/655726603.db2.gz SXPMQBPPMODCLH-JDFRZJQESA-N 1 1 322.399 3.429 10 30 DGEEMO C=CCOc1ccccc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000236675957 656101123 /nfs/dbraw/zinc/10/11/23/656101123.db2.gz IGDDZPIELWLSKX-UHFFFAOYSA-N 1 1 311.381 3.312 10 30 DGEEMO Cc1cccc(NC(=[NH2+])NC[C@H](C2CCCCC2)N(C)C)c1 ZINC000303884215 657571680 /nfs/dbraw/zinc/57/16/80/657571680.db2.gz JABSGYHLYHGWDL-QGZVFWFLSA-N 1 1 302.466 3.232 10 30 DGEEMO C=CCOc1ccc(CNCC[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000237169901 1202653108 /nfs/dbraw/zinc/65/31/08/1202653108.db2.gz OKLZCIVGTGWGGG-MRXNPFEDSA-N 1 1 318.461 3.082 10 30 DGEEMO C=CCOc1ccc(CNCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000237169901 1202653109 /nfs/dbraw/zinc/65/31/09/1202653109.db2.gz OKLZCIVGTGWGGG-MRXNPFEDSA-N 1 1 318.461 3.082 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278453235 214163173 /nfs/dbraw/zinc/16/31/73/214163173.db2.gz XHDUENHVEHZXND-AWEZNQCLSA-N 1 1 302.418 3.362 10 30 DGEEMO Cc1cc(C#N)cc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000309779773 231105326 /nfs/dbraw/zinc/10/53/26/231105326.db2.gz DPRIJQYIBDZYNB-KRWDZBQOSA-N 1 1 306.413 3.196 10 30 DGEEMO C=C(Cl)CN(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915716 432019726 /nfs/dbraw/zinc/01/97/26/432019726.db2.gz OMYRPHUNXKOMNZ-SFHVURJKSA-N 1 1 322.880 3.116 10 30 DGEEMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc(Cl)nc1 ZINC000171963203 198017222 /nfs/dbraw/zinc/01/72/22/198017222.db2.gz WHWOPGQOCRWQFP-UHFFFAOYSA-N 1 1 301.777 3.117 10 30 DGEEMO C[N@@H+](CCCc1ccccc1)Cc1cnc2ccc(C#N)cn12 ZINC000179317073 432053646 /nfs/dbraw/zinc/05/36/46/432053646.db2.gz QTHFGZCHHVESJG-UHFFFAOYSA-N 1 1 304.397 3.271 10 30 DGEEMO C=CCOc1ccc(C[NH2+]Cc2cnc(CC)o2)cc1OC ZINC000449608042 240316879 /nfs/dbraw/zinc/31/68/79/240316879.db2.gz DOELKFSQQLVETP-UHFFFAOYSA-N 1 1 302.374 3.100 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)o1 ZINC000091966756 193133946 /nfs/dbraw/zinc/13/39/46/193133946.db2.gz NEMBAIQLHKSEPM-YJBOKZPZSA-N 1 1 314.360 3.378 10 30 DGEEMO C=CCCC[C@@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000451426975 241118930 /nfs/dbraw/zinc/11/89/30/241118930.db2.gz ZIEZMWMEJPLXIC-AEFFLSMTSA-N 1 1 317.477 3.361 10 30 DGEEMO CCc1nccn1[C@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000106217170 194191588 /nfs/dbraw/zinc/19/15/88/194191588.db2.gz XRKFSOPVNDAYOX-KRWDZBQOSA-N 1 1 324.428 3.033 10 30 DGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000061892220 184192955 /nfs/dbraw/zinc/19/29/55/184192955.db2.gz OKMWVAHERGOLNT-CMPLNLGQSA-N 1 1 324.178 3.139 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1F ZINC000343556728 254160106 /nfs/dbraw/zinc/16/01/06/254160106.db2.gz LERCWBOIOYTUSL-WMZOPIPTSA-N 1 1 314.335 3.144 10 30 DGEEMO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1F ZINC000343556728 254160108 /nfs/dbraw/zinc/16/01/08/254160108.db2.gz LERCWBOIOYTUSL-WMZOPIPTSA-N 1 1 314.335 3.144 10 30 DGEEMO C=CCCC[C@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000091514444 400125210 /nfs/dbraw/zinc/12/52/10/400125210.db2.gz JUWCQPUBONWMOT-KBPBESRZSA-N 1 1 304.394 3.221 10 30 DGEEMO N#Cc1ncccc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000310258777 400133041 /nfs/dbraw/zinc/13/30/41/400133041.db2.gz PYWJMASMGWODBF-RCCFBDPRSA-N 1 1 318.424 3.276 10 30 DGEEMO N#Cc1ccc(C[NH2+]Cc2cnc(-c3ccccc3)nc2)c(F)c1 ZINC000609239076 400153844 /nfs/dbraw/zinc/15/38/44/400153844.db2.gz HFDMFZCYVMBOTA-UHFFFAOYSA-N 1 1 318.355 3.444 10 30 DGEEMO N#Cc1ccc(C[NH2+]Cc2cnc3ccc(Cl)cn23)c(F)c1 ZINC000610007785 400207723 /nfs/dbraw/zinc/20/77/23/400207723.db2.gz KANYONKCWXWAFC-UHFFFAOYSA-N 1 1 314.751 3.288 10 30 DGEEMO CC[N@H+](Cc1ccc(Br)cc1C#N)[C@@H]1CCCOC1 ZINC000402813378 400292718 /nfs/dbraw/zinc/29/27/18/400292718.db2.gz FLZILXYNRSWWCV-OAHLLOKOSA-N 1 1 323.234 3.322 10 30 DGEEMO CC[N@@H+](Cc1ccc(Br)cc1C#N)[C@@H]1CCCOC1 ZINC000402813378 400292722 /nfs/dbraw/zinc/29/27/22/400292722.db2.gz FLZILXYNRSWWCV-OAHLLOKOSA-N 1 1 323.234 3.322 10 30 DGEEMO CCCCCCCCCCCCCC(=O)NCC[NH2+]CCN ZINC000111891689 400369497 /nfs/dbraw/zinc/36/94/97/400369497.db2.gz VEARCFDPCWJRGD-UHFFFAOYSA-N 1 1 313.530 3.352 10 30 DGEEMO C=CC[N@@H+](CCc1ccccc1)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602769705 400568702 /nfs/dbraw/zinc/56/87/02/400568702.db2.gz OVCZMTVCJISZQW-CQSZACIVSA-N 1 1 314.385 3.253 10 30 DGEEMO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602769705 400568704 /nfs/dbraw/zinc/56/87/04/400568704.db2.gz OVCZMTVCJISZQW-CQSZACIVSA-N 1 1 314.385 3.253 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)c2cc(C)n([C@H](C)COC)c2C)C1 ZINC000625702886 401186382 /nfs/dbraw/zinc/18/63/82/401186382.db2.gz JNPWPNVEOKRJFY-NVXWUHKLSA-N 1 1 318.461 3.393 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000625705238 401187398 /nfs/dbraw/zinc/18/73/98/401187398.db2.gz SWPYXHUVCSVYGI-MRXNPFEDSA-N 1 1 311.429 3.397 10 30 DGEEMO N#Cc1ccc(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)nc1 ZINC000065201907 401259744 /nfs/dbraw/zinc/25/97/44/401259744.db2.gz OUDUGUMDFZFYEZ-SFHVURJKSA-N 1 1 306.413 3.420 10 30 DGEEMO C=CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626142493 401311526 /nfs/dbraw/zinc/31/15/26/401311526.db2.gz KARLHUBIDWKPCV-AWEZNQCLSA-N 1 1 318.417 3.073 10 30 DGEEMO C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000630799027 401330418 /nfs/dbraw/zinc/33/04/18/401330418.db2.gz SKLHFCICIHLLCL-DOTOQJQBSA-N 1 1 304.409 3.071 10 30 DGEEMO C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635120353 401413207 /nfs/dbraw/zinc/41/32/07/401413207.db2.gz WZFFCJZSOCQDGN-GFCCVEGCSA-N 1 1 312.866 3.258 10 30 DGEEMO C=CC(C)(C)CCNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000628316351 401574991 /nfs/dbraw/zinc/57/49/91/401574991.db2.gz RPAUYTJJTDJZSJ-UHFFFAOYSA-N 1 1 315.461 3.325 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000623814457 401582633 /nfs/dbraw/zinc/58/26/33/401582633.db2.gz GDICWDSLFGUJQU-NJAFHUGGSA-N 1 1 313.445 3.039 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000623597072 401553004 /nfs/dbraw/zinc/55/30/04/401553004.db2.gz VUTQUODANHDPTL-IRXDYDNUSA-N 1 1 315.461 3.115 10 30 DGEEMO C=C1CC(C)(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000632407073 401605345 /nfs/dbraw/zinc/60/53/45/401605345.db2.gz HTGHGEJURIGBSQ-UHFFFAOYSA-N 1 1 305.447 3.204 10 30 DGEEMO C=C1CC(C)(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)C1 ZINC000632407073 401605347 /nfs/dbraw/zinc/60/53/47/401605347.db2.gz HTGHGEJURIGBSQ-UHFFFAOYSA-N 1 1 305.447 3.204 10 30 DGEEMO C=CC(C)(C)CCNC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000624463046 401662730 /nfs/dbraw/zinc/66/27/30/401662730.db2.gz PHISPVVOYHYKHG-UHFFFAOYSA-N 1 1 321.465 3.345 10 30 DGEEMO CC[N@H+]1CCC[C@H](Nc2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000171819262 432175172 /nfs/dbraw/zinc/17/51/72/432175172.db2.gz OOSLJAUIVMUTEI-ZDUSSCGKSA-N 1 1 316.355 3.281 10 30 DGEEMO COc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1C#N ZINC000246971962 432185995 /nfs/dbraw/zinc/18/59/95/432185995.db2.gz VLXQXWZKDYLPPZ-MSOLQXFVSA-N 1 1 313.445 3.014 10 30 DGEEMO C=CCC[C@H](O)C[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000247383465 432226450 /nfs/dbraw/zinc/22/64/50/432226450.db2.gz LGLYGZSKFRAOEI-JENIJYKNSA-N 1 1 303.446 3.392 10 30 DGEEMO C=CCOc1cccc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1 ZINC000247286054 432219028 /nfs/dbraw/zinc/21/90/28/432219028.db2.gz YWPVOUANRPSJRJ-NZSAHSFTSA-N 1 1 317.429 3.020 10 30 DGEEMO N#CCCCC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181285400 228361013 /nfs/dbraw/zinc/36/10/13/228361013.db2.gz PXTIBJHRDWXYHG-INIZCTEOSA-N 1 1 309.417 3.345 10 30 DGEEMO C[C@H]1C[C@@H](C(=O)NCc2ccn(C3CCCC3)n2)CC[N@H+]1C ZINC000329881204 228964871 /nfs/dbraw/zinc/96/48/71/228964871.db2.gz OEZHYHXXNYPRDD-KBPBESRZSA-N 1 1 304.438 3.185 10 30 DGEEMO N#Cc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000302179511 230144284 /nfs/dbraw/zinc/14/42/84/230144284.db2.gz RLYLRDARRWXNCD-NSISKUIASA-N 1 1 318.424 3.276 10 30 DGEEMO N#Cc1csc(C[NH2+]Cc2ccc(Br)cc2)n1 ZINC000352836637 265189763 /nfs/dbraw/zinc/18/97/63/265189763.db2.gz VTIYNCDPPLWJDS-UHFFFAOYSA-N 1 1 308.204 3.067 10 30 DGEEMO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ccc(C#N)cc1Br ZINC000191184528 432232705 /nfs/dbraw/zinc/23/27/05/432232705.db2.gz JGDZIEFNRMTKDR-QWRGUYRKSA-N 1 1 323.234 3.054 10 30 DGEEMO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)N1CCC(C)CC1 ZINC000358594772 267162107 /nfs/dbraw/zinc/16/21/07/267162107.db2.gz UDUVMJORIXSOAO-CABCVRRESA-N 1 1 303.425 3.468 10 30 DGEEMO C[C@H](NCC[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000358578615 267182378 /nfs/dbraw/zinc/18/23/78/267182378.db2.gz VSCKSYNPWMDOCL-HNNXBMFYSA-N 1 1 311.404 3.480 10 30 DGEEMO C[C@H](NCC[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000358578615 267182380 /nfs/dbraw/zinc/18/23/80/267182380.db2.gz VSCKSYNPWMDOCL-HNNXBMFYSA-N 1 1 311.404 3.480 10 30 DGEEMO N#Cc1ncccc1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000357192917 268327513 /nfs/dbraw/zinc/32/75/13/268327513.db2.gz ULDFNIGYNBXAIA-QGZVFWFLSA-N 1 1 306.413 3.420 10 30 DGEEMO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000180515625 275379118 /nfs/dbraw/zinc/37/91/18/275379118.db2.gz WBAHMLMNCPYWAB-AEFFLSMTSA-N 1 1 318.848 3.395 10 30 DGEEMO C#CCCCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000180515625 275379119 /nfs/dbraw/zinc/37/91/19/275379119.db2.gz WBAHMLMNCPYWAB-AEFFLSMTSA-N 1 1 318.848 3.395 10 30 DGEEMO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177168045 276092744 /nfs/dbraw/zinc/09/27/44/276092744.db2.gz HRMQLTLWJJXHFU-QGZVFWFLSA-N 1 1 318.848 3.024 10 30 DGEEMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177168045 276092745 /nfs/dbraw/zinc/09/27/45/276092745.db2.gz HRMQLTLWJJXHFU-QGZVFWFLSA-N 1 1 318.848 3.024 10 30 DGEEMO CCC[N@H+](Cc1c(C)nn(C)c1OC)Cc1ccc(C#N)cc1 ZINC000119266492 276255551 /nfs/dbraw/zinc/25/55/51/276255551.db2.gz ATLVYJNKWXVLCE-UHFFFAOYSA-N 1 1 312.417 3.021 10 30 DGEEMO CCC[N@@H+](Cc1c(C)nn(C)c1OC)Cc1ccc(C#N)cc1 ZINC000119266492 276255553 /nfs/dbraw/zinc/25/55/53/276255553.db2.gz ATLVYJNKWXVLCE-UHFFFAOYSA-N 1 1 312.417 3.021 10 30 DGEEMO C=CC(C)(C)CCNC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000623627191 429926883 /nfs/dbraw/zinc/92/68/83/429926883.db2.gz UFBWOGHXWSXQGA-UHFFFAOYSA-N 1 1 304.438 3.094 10 30 DGEEMO C=CCCC[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000076737162 431561859 /nfs/dbraw/zinc/56/18/59/431561859.db2.gz JMUGKONLMGOXIT-UHFFFAOYSA-N 1 1 305.809 3.438 10 30 DGEEMO C=CCCC[N@@H+](C)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000076736024 431562785 /nfs/dbraw/zinc/56/27/85/431562785.db2.gz RWVBPTBDJDZRLD-ZDUSSCGKSA-N 1 1 312.421 3.156 10 30 DGEEMO C=CCCC[N@H+](C)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000076736024 431562793 /nfs/dbraw/zinc/56/27/93/431562793.db2.gz RWVBPTBDJDZRLD-ZDUSSCGKSA-N 1 1 312.421 3.156 10 30 DGEEMO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000076903577 431564900 /nfs/dbraw/zinc/56/49/00/431564900.db2.gz BBMLZAZZRCYSKT-ZDUSSCGKSA-N 1 1 307.825 3.095 10 30 DGEEMO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000076903577 431564907 /nfs/dbraw/zinc/56/49/07/431564907.db2.gz BBMLZAZZRCYSKT-ZDUSSCGKSA-N 1 1 307.825 3.095 10 30 DGEEMO C=CCOc1cccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000121157831 431746771 /nfs/dbraw/zinc/74/67/71/431746771.db2.gz BQYNZMOVHRWYDF-YOEHRIQHSA-N 1 1 317.433 3.102 10 30 DGEEMO C[C@@H](CC#N)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000081306493 431789316 /nfs/dbraw/zinc/78/93/16/431789316.db2.gz IVCLEUJUOJVMLZ-KRWDZBQOSA-N 1 1 321.424 3.107 10 30 DGEEMO O[C@H](C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000121924971 431808299 /nfs/dbraw/zinc/80/82/99/431808299.db2.gz CQZFMAQTGWBIHM-VHSXEESVSA-N 1 1 319.220 3.332 10 30 DGEEMO Cc1ccc(NC(=S)N/[NH+]=C\c2ccc(N(C)C)cc2)cc1 ZINC000033319099 431813137 /nfs/dbraw/zinc/81/31/37/431813137.db2.gz YHHMOFBXKAZYNE-PDGQHHTCSA-N 1 1 312.442 3.382 10 30 DGEEMO N#Cc1cccnc1N1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000122917632 431848988 /nfs/dbraw/zinc/84/89/88/431848988.db2.gz SQIIUBNRAOPRRY-UHFFFAOYSA-N 1 1 318.380 3.022 10 30 DGEEMO C=CCOc1c(Br)cc(C[N@H+](C)CC)cc1OC ZINC000126288415 431946294 /nfs/dbraw/zinc/94/62/94/431946294.db2.gz XBBISOQNZKDHSX-UHFFFAOYSA-N 1 1 314.223 3.474 10 30 DGEEMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(Cl)cc2C#N)[C@@H](C)C1 ZINC000248570398 432301456 /nfs/dbraw/zinc/30/14/56/432301456.db2.gz QNROQMQWWBVMEU-GUYCJALGSA-N 1 1 305.853 3.374 10 30 DGEEMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000191974559 432320111 /nfs/dbraw/zinc/32/01/11/432320111.db2.gz GXBPEGMMAPPGMI-IEBWSBKVSA-N 1 1 312.457 3.055 10 30 DGEEMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000255871539 432413863 /nfs/dbraw/zinc/41/38/63/432413863.db2.gz IUUKLCJNDNUUDA-UONOGXRCSA-N 1 1 321.852 3.341 10 30 DGEEMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000255871539 432413866 /nfs/dbraw/zinc/41/38/66/432413866.db2.gz IUUKLCJNDNUUDA-UONOGXRCSA-N 1 1 321.852 3.341 10 30 DGEEMO N#Cc1cnc(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)cn1 ZINC000185112470 432467103 /nfs/dbraw/zinc/46/71/03/432467103.db2.gz KNDDFWXDPWMUGF-UHFFFAOYSA-N 1 1 304.357 3.168 10 30 DGEEMO CN(C)Cc1cc(C[NH2+]Cc2ccc(C#N)s2)ccc1F ZINC000176970564 432571427 /nfs/dbraw/zinc/57/14/27/432571427.db2.gz DGMAMZDJDRYKHM-UHFFFAOYSA-N 1 1 303.406 3.110 10 30 DGEEMO C=CCCC[N@H+](C)Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000156146201 432589551 /nfs/dbraw/zinc/58/95/51/432589551.db2.gz QJHKOFUHGFKOFD-UHFFFAOYSA-N 1 1 301.390 3.452 10 30 DGEEMO C=CCNC(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000156480766 432598581 /nfs/dbraw/zinc/59/85/81/432598581.db2.gz LQTRQHGQPNXJCT-DOTOQJQBSA-N 1 1 301.434 3.039 10 30 DGEEMO C=C(C)CC[N@@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000274766861 432706380 /nfs/dbraw/zinc/70/63/80/432706380.db2.gz GKMVPOMIPUJYKK-HNNXBMFYSA-N 1 1 323.506 3.324 10 30 DGEEMO Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000178626871 432759296 /nfs/dbraw/zinc/75/92/96/432759296.db2.gz CNEWVFSTSLBNQI-MRXNPFEDSA-N 1 1 314.433 3.109 10 30 DGEEMO C[C@@H]1C[N@H+](CCCSCC#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000245493194 432837117 /nfs/dbraw/zinc/83/71/17/432837117.db2.gz LAOIDNKEWAADJY-CJNGLKHVSA-N 1 1 308.422 3.234 10 30 DGEEMO C[C@@H]1C[N@@H+](CCCSCC#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000245493194 432837118 /nfs/dbraw/zinc/83/71/18/432837118.db2.gz LAOIDNKEWAADJY-CJNGLKHVSA-N 1 1 308.422 3.234 10 30 DGEEMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000179013576 432796412 /nfs/dbraw/zinc/79/64/12/432796412.db2.gz PJOFTVDUSMKQJX-MSOLQXFVSA-N 1 1 320.396 3.125 10 30 DGEEMO CN(CCC#N)c1ccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000245788203 432863227 /nfs/dbraw/zinc/86/32/27/432863227.db2.gz VPUVDOJERYLVPM-IBGZPJMESA-N 1 1 323.444 3.487 10 30 DGEEMO C=CCN(Cc1ccccc1F)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000279124690 432937437 /nfs/dbraw/zinc/93/74/37/432937437.db2.gz DEIQILBUYRQSCO-GJZGRUSLSA-N 1 1 304.409 3.071 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]([C@@H](C)C(=O)OC)C2CCC2)cc1 ZINC000361644426 433309164 /nfs/dbraw/zinc/30/91/64/433309164.db2.gz ADDFFTYUHXVRGM-AWEZNQCLSA-N 1 1 303.402 3.167 10 30 DGEEMO C=CCOc1ccc(C[N@H+]([C@@H](C)C(=O)OC)C2CCC2)cc1 ZINC000361644426 433309171 /nfs/dbraw/zinc/30/91/71/433309171.db2.gz ADDFFTYUHXVRGM-AWEZNQCLSA-N 1 1 303.402 3.167 10 30 DGEEMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c(OC(F)F)c1 ZINC000341983064 433394189 /nfs/dbraw/zinc/39/41/89/433394189.db2.gz DWMLMOXQGOYBKA-QGZVFWFLSA-N 1 1 322.355 3.162 10 30 DGEEMO C=C(C)[C@H](CC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)OCC ZINC000375245846 433395768 /nfs/dbraw/zinc/39/57/68/433395768.db2.gz POIPBSADNMMMLF-SFHVURJKSA-N 1 1 314.429 3.474 10 30 DGEEMO N#Cc1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)cc1C(F)(F)F ZINC000301225178 433459679 /nfs/dbraw/zinc/45/96/79/433459679.db2.gz FTIOZKIMESHNBL-CQSZACIVSA-N 1 1 309.335 3.252 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000362456683 433729549 /nfs/dbraw/zinc/72/95/49/433729549.db2.gz WSKGQAMAVLMBFE-HOTGVXAUSA-N 1 1 302.418 3.253 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000362456683 433729555 /nfs/dbraw/zinc/72/95/55/433729555.db2.gz WSKGQAMAVLMBFE-HOTGVXAUSA-N 1 1 302.418 3.253 10 30 DGEEMO C=C(C)CC[N@@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000352016757 433864687 /nfs/dbraw/zinc/86/46/87/433864687.db2.gz ZODLLKQGOLCTIV-CYBMUJFWSA-N 1 1 306.372 3.075 10 30 DGEEMO C=CC(C)(C)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000449906214 433865284 /nfs/dbraw/zinc/86/52/84/433865284.db2.gz XFIIIWSWZJQFRX-GJZGRUSLSA-N 1 1 316.445 3.447 10 30 DGEEMO C=C(CNC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000416234106 434065775 /nfs/dbraw/zinc/06/57/75/434065775.db2.gz LZGQLRXBSBJLML-UHFFFAOYSA-N 1 1 320.436 3.264 10 30 DGEEMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)CCC1 ZINC000364375193 434269854 /nfs/dbraw/zinc/26/98/54/434269854.db2.gz OMDRIYKDARFWJJ-IAGOWNOFSA-N 1 1 316.420 3.434 10 30 DGEEMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)CCC1 ZINC000364375193 434269862 /nfs/dbraw/zinc/26/98/62/434269862.db2.gz OMDRIYKDARFWJJ-IAGOWNOFSA-N 1 1 316.420 3.434 10 30 DGEEMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCCCC(=O)N2)C1 ZINC000328675976 434296166 /nfs/dbraw/zinc/29/61/66/434296166.db2.gz RGRBRJGKVSJPPZ-CABCVRRESA-N 1 1 309.454 3.353 10 30 DGEEMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328652908 434296775 /nfs/dbraw/zinc/29/67/75/434296775.db2.gz KESZDKBJKOIIIM-ILXRZTDVSA-N 1 1 309.454 3.353 10 30 DGEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000393889687 434398161 /nfs/dbraw/zinc/39/81/61/434398161.db2.gz YYGZSUVUCPJKIZ-AWEZNQCLSA-N 1 1 324.384 3.399 10 30 DGEEMO C[C@@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000358576386 434398184 /nfs/dbraw/zinc/39/81/84/434398184.db2.gz UCYNLZQXJNWKPT-DIFFPNOSSA-N 1 1 302.324 3.221 10 30 DGEEMO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358562620 434399288 /nfs/dbraw/zinc/39/92/88/434399288.db2.gz HPVKOQQBNUQGAL-GFCCVEGCSA-N 1 1 314.408 3.406 10 30 DGEEMO Cc1cc(C#N)nc(N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000398144188 434457665 /nfs/dbraw/zinc/45/76/65/434457665.db2.gz NFVGETVNCDXCRK-SFHVURJKSA-N 1 1 323.444 3.225 10 30 DGEEMO CC(C)(C)OC(=O)[C@]12CCC[C@H]1C[N@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000407993911 434535705 /nfs/dbraw/zinc/53/57/05/434535705.db2.gz WDJRJMQTYYJDEE-FSZRXZPDSA-N 1 1 304.434 3.122 10 30 DGEEMO C=C[C@@H]1OCC[C@H]1C[NH2+]CC(C)(C)CN(C)Cc1ccccc1 ZINC000424176845 434646824 /nfs/dbraw/zinc/64/68/24/434646824.db2.gz RXRKLGLCWDVDNX-OALUTQOASA-N 1 1 316.489 3.325 10 30 DGEEMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000424294316 434681284 /nfs/dbraw/zinc/68/12/84/434681284.db2.gz KNTBFNDLMYYKAI-GTAWCEEGSA-N 1 1 314.473 3.078 10 30 DGEEMO C=CC[C@@H](C(=O)N1CCC(c2cnc[nH]2)CC1)c1ccccc1 ZINC000372491319 434834049 /nfs/dbraw/zinc/83/40/49/434834049.db2.gz OEQOOEXGQYUGPG-QGZVFWFLSA-N 1 1 309.413 3.476 10 30 DGEEMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](c3cccc(F)c3)C2(C)C)C1=O ZINC000528773085 435029218 /nfs/dbraw/zinc/02/92/18/435029218.db2.gz GTGBLLFWTUCCIU-IRXDYDNUSA-N 1 1 316.420 3.181 10 30 DGEEMO C=CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000565205703 435277907 /nfs/dbraw/zinc/27/79/07/435277907.db2.gz CUDLYIAVZHOJIE-SFHVURJKSA-N 1 1 315.461 3.156 10 30 DGEEMO C=CCCC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000537186137 435428954 /nfs/dbraw/zinc/42/89/54/435428954.db2.gz IZFHEIHEYQHDHY-CGTJXYLNSA-N 1 1 315.461 3.476 10 30 DGEEMO C=CCCC[C@@H](C)[N@@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000538150960 435486008 /nfs/dbraw/zinc/48/60/08/435486008.db2.gz TYBIAJYDMUVEPR-MRXNPFEDSA-N 1 1 310.445 3.429 10 30 DGEEMO C=CCCC[C@@H](C)[N@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000538150960 435486014 /nfs/dbraw/zinc/48/60/14/435486014.db2.gz TYBIAJYDMUVEPR-MRXNPFEDSA-N 1 1 310.445 3.429 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000539850833 435575378 /nfs/dbraw/zinc/57/53/78/435575378.db2.gz SAGYEKKYONZTPG-SFHVURJKSA-N 1 1 301.430 3.500 10 30 DGEEMO CC#CC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000484529476 435545531 /nfs/dbraw/zinc/54/55/31/435545531.db2.gz DQEWDKIOBOTVHU-QGZVFWFLSA-N 1 1 306.400 3.493 10 30 DGEEMO C=CCCCCC[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459511079 339033308 /nfs/dbraw/zinc/03/33/08/339033308.db2.gz XSZHQSYKERCWGL-AWEZNQCLSA-N 1 1 307.463 3.036 10 30 DGEEMO C=CCOc1cccc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000544609301 341088632 /nfs/dbraw/zinc/08/86/32/341088632.db2.gz KKSDGVWKULAIAH-ZWKOTPCHSA-N 1 1 303.446 3.480 10 30 DGEEMO C=CCN(CC(F)(F)F)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000546016460 341151196 /nfs/dbraw/zinc/15/11/96/341151196.db2.gz ZRURBQQMCXEFGO-UHFFFAOYSA-N 1 1 306.372 3.218 10 30 DGEEMO C=CCCCN(C)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000076943995 341216096 /nfs/dbraw/zinc/21/60/96/341216096.db2.gz GEYDRGDOXJVZRP-INIZCTEOSA-N 1 1 315.461 3.041 10 30 DGEEMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134823719 341224745 /nfs/dbraw/zinc/22/47/45/341224745.db2.gz POJAHZUBKIYHHM-IAGOWNOFSA-N 1 1 305.393 3.190 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)cc1OC ZINC000249153355 341394792 /nfs/dbraw/zinc/39/47/92/341394792.db2.gz HSWKJQUDTAHBDS-RDTXWAMCSA-N 1 1 305.418 3.117 10 30 DGEEMO C=CCC[C@@H](O)C[N@H+](CCCOC)Cc1ccc(F)cc1F ZINC000036099720 518716745 /nfs/dbraw/zinc/71/67/45/518716745.db2.gz UACOBKLYZITDAB-MRXNPFEDSA-N 1 1 313.388 3.130 10 30 DGEEMO C=C(CC)C[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494291004 534377944 /nfs/dbraw/zinc/37/79/44/534377944.db2.gz RPQXICASVYKZJY-UHFFFAOYSA-N 1 1 304.253 3.271 10 30 DGEEMO C=CC[N@H+](CCc1ccccc1)Cc1cc(-c2cnn(C)c2)no1 ZINC000184989531 526313513 /nfs/dbraw/zinc/31/35/13/526313513.db2.gz FBYJUUAFWZLAKX-UHFFFAOYSA-N 1 1 322.412 3.306 10 30 DGEEMO C=CC[N@@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)C1CC1 ZINC000360212836 526381244 /nfs/dbraw/zinc/38/12/44/526381244.db2.gz LGAFLHGNWVRHJH-UHFFFAOYSA-N 1 1 312.369 3.279 10 30 DGEEMO C=CC[N@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)C1CC1 ZINC000360212836 526381251 /nfs/dbraw/zinc/38/12/51/526381251.db2.gz LGAFLHGNWVRHJH-UHFFFAOYSA-N 1 1 312.369 3.279 10 30 DGEEMO C=C(C)C[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000441218888 526607215 /nfs/dbraw/zinc/60/72/15/526607215.db2.gz UORFKOLKHUPYKI-VQIMIIECSA-N 1 1 301.478 3.498 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000185094360 526711036 /nfs/dbraw/zinc/71/10/36/526711036.db2.gz JUTKQNGRIVIZQF-INIZCTEOSA-N 1 1 300.446 3.153 10 30 DGEEMO C=C(C)Cn1c(C(C)C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000359101134 526720811 /nfs/dbraw/zinc/72/08/11/526720811.db2.gz JQEZTKSUVQPKJR-HOTGVXAUSA-N 1 1 319.497 3.144 10 30 DGEEMO C=CCOc1ccc(C[NH+]2CCN(c3cnccc3C)CC2)cc1 ZINC000343637976 526869306 /nfs/dbraw/zinc/86/93/06/526869306.db2.gz KNRUDBWQAYFOJT-UHFFFAOYSA-N 1 1 323.440 3.277 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000353669484 526871318 /nfs/dbraw/zinc/87/13/18/526871318.db2.gz COGYFFHAICOPGC-FQEVSTJZSA-N 1 1 309.409 3.343 10 30 DGEEMO C=CCOc1cccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000246283050 526916462 /nfs/dbraw/zinc/91/64/62/526916462.db2.gz BQYNZMOVHRWYDF-RHSMWYFYSA-N 1 1 317.433 3.102 10 30 DGEEMO C=CCOc1ccccc1C[N@H+](CCOC)Cc1cccnc1 ZINC000349010964 526929588 /nfs/dbraw/zinc/92/95/88/526929588.db2.gz QYOWJBQSUJAEKD-UHFFFAOYSA-N 1 1 312.413 3.295 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+](CCOC)Cc1cccnc1 ZINC000349010964 526929595 /nfs/dbraw/zinc/92/95/95/526929595.db2.gz QYOWJBQSUJAEKD-UHFFFAOYSA-N 1 1 312.413 3.295 10 30 DGEEMO C=CCOc1ccccc1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000353504899 526936773 /nfs/dbraw/zinc/93/67/73/526936773.db2.gz VERUJKPNWRBOKL-KRWDZBQOSA-N 1 1 316.445 3.132 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000346970710 527191457 /nfs/dbraw/zinc/19/14/57/527191457.db2.gz YEKWECGUEWMEQT-UHFFFAOYSA-N 1 1 300.446 3.384 10 30 DGEEMO C=CCCC[N@H+](C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000346957147 527191644 /nfs/dbraw/zinc/19/16/44/527191644.db2.gz FRWJGNINLZYBFA-SFHVURJKSA-N 1 1 300.446 3.468 10 30 DGEEMO C=CCc1cc(C[N@@H+](C)Cc2cnccc2C)cc(OC)c1O ZINC000355582065 527235100 /nfs/dbraw/zinc/23/51/00/527235100.db2.gz JQXREUZWIWRMMS-UHFFFAOYSA-N 1 1 312.413 3.465 10 30 DGEEMO C=CCC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000338569806 527325585 /nfs/dbraw/zinc/32/55/85/527325585.db2.gz WTIXQVHMJLLNOJ-APWZRJJASA-N 1 1 301.478 3.498 10 30 DGEEMO C=CCn1c([C@H](C)CC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000351078904 527356001 /nfs/dbraw/zinc/35/60/01/527356001.db2.gz ZKRAFKCNQIGFTO-OWCLPIDISA-N 1 1 319.497 3.144 10 30 DGEEMO CC[C@](C)(C#N)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000354831707 529349804 /nfs/dbraw/zinc/34/98/04/529349804.db2.gz ZOGIITSUYNKTMP-MOPGFXCFSA-N 1 1 313.445 3.097 10 30 DGEEMO COc1cccc2c1CC[N@@H+](Cc1ccc(C#N)c(C)c1)CC2 ZINC000489565776 536942559 /nfs/dbraw/zinc/94/25/59/536942559.db2.gz GEURYAAPMSKOIG-UHFFFAOYSA-N 1 1 306.409 3.476 10 30 DGEEMO C=CCOc1ccccc1C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000093863989 545860309 /nfs/dbraw/zinc/86/03/09/545860309.db2.gz GIRQUNGFZYVGFR-QGZVFWFLSA-N 1 1 311.429 3.494 10 30 DGEEMO C#Cc1cccc(NC(=S)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000741493145 574557816 /nfs/dbraw/zinc/55/78/16/574557816.db2.gz ROMUXSIQEMGIOC-YOEHRIQHSA-N 1 1 315.486 3.027 10 30 DGEEMO C=C(Cl)CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000736399221 574747699 /nfs/dbraw/zinc/74/76/99/574747699.db2.gz VZWLRFNYZYHPTL-MRXNPFEDSA-N 1 1 321.852 3.093 10 30 DGEEMO C#CCCOc1ccc(CNCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000113322175 620904421 /nfs/dbraw/zinc/90/44/21/620904421.db2.gz XPPTWTPICBFXJK-QGZVFWFLSA-N 1 1 300.446 3.053 10 30 DGEEMO C#CCCOc1ccc(CNCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000113322175 620904423 /nfs/dbraw/zinc/90/44/23/620904423.db2.gz XPPTWTPICBFXJK-QGZVFWFLSA-N 1 1 300.446 3.053 10 30 DGEEMO CCOc1ccc(O)c(/C=N/C[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000129622342 625707363 /nfs/dbraw/zinc/70/73/63/625707363.db2.gz ITICGHFVEGKRBL-YDDPGSGASA-N 1 1 304.434 3.330 10 30 DGEEMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCCC(C)(C)C1 ZINC000131165522 625958976 /nfs/dbraw/zinc/95/89/76/625958976.db2.gz RPDRSLOKGHXVDH-UHFFFAOYSA-N 1 1 309.417 3.205 10 30 DGEEMO C#CCCOc1ccc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@H]2C)cc1 ZINC000093639256 660537541 /nfs/dbraw/zinc/53/75/41/660537541.db2.gz CEYMSMKWTPPUSF-YLJYHZDGSA-N 1 1 314.473 3.251 10 30 DGEEMO C#CCCOc1ccc(C[N@H+](C)[C@@H]2CCN(CC)C[C@H]2C)cc1 ZINC000093639256 660537542 /nfs/dbraw/zinc/53/75/42/660537542.db2.gz CEYMSMKWTPPUSF-YLJYHZDGSA-N 1 1 314.473 3.251 10 30 DGEEMO C#CCCOc1ccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000093639256 660537544 /nfs/dbraw/zinc/53/75/44/660537544.db2.gz CEYMSMKWTPPUSF-YLJYHZDGSA-N 1 1 314.473 3.251 10 30 DGEEMO C#CCCOc1ccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000093639256 660537545 /nfs/dbraw/zinc/53/75/45/660537545.db2.gz CEYMSMKWTPPUSF-YLJYHZDGSA-N 1 1 314.473 3.251 10 30 DGEEMO Cc1cccc2nc(CNC(=[NH2+])Nc3ccc(C)c(C)c3)[nH]c21 ZINC000305713019 657921687 /nfs/dbraw/zinc/92/16/87/657921687.db2.gz KTGUYFVHYITCNE-UHFFFAOYSA-N 1 1 307.401 3.415 10 30 DGEEMO C=CCc1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c(O)c(OC)c1 ZINC000164141993 658918750 /nfs/dbraw/zinc/91/87/50/658918750.db2.gz XFAOGNTWANQAOQ-IRXDYDNUSA-N 1 1 317.429 3.273 10 30 DGEEMO CCc1nc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cs1 ZINC000171768393 659298029 /nfs/dbraw/zinc/29/80/29/659298029.db2.gz ZCLPZACDKIAQQW-LBPRGKRZSA-N 1 1 301.415 3.459 10 30 DGEEMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccccc1 ZINC000063288355 659376982 /nfs/dbraw/zinc/37/69/82/659376982.db2.gz SMEJASXBSBYAGT-GOSISDBHSA-N 1 1 312.369 3.316 10 30 DGEEMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCCC2(C)C)cc1C ZINC000175172126 659916689 /nfs/dbraw/zinc/91/66/89/659916689.db2.gz SIGILRJEPSMXPN-UHFFFAOYSA-N 1 1 313.445 3.425 10 30 DGEEMO CC(C)[N@@H+](CCc1nccs1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000159902306 661897608 /nfs/dbraw/zinc/89/76/08/661897608.db2.gz XVPLQQRUBPDZHH-MRXNPFEDSA-N 1 1 315.442 3.001 10 30 DGEEMO CC[C@H](C#N)C(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000719960388 662299852 /nfs/dbraw/zinc/29/98/52/662299852.db2.gz VZQZHBBUUCUJFR-MSOLQXFVSA-N 1 1 313.445 3.049 10 30 DGEEMO C#CCCOc1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000093585717 662357588 /nfs/dbraw/zinc/35/75/88/662357588.db2.gz QLTKIIQPUJTDLT-UYAOXDASSA-N 1 1 313.441 3.216 10 30 DGEEMO C[C@@H]1C[C@H](Nc2cc(Br)ccc2C#N)C[N@H+]1C1CC1 ZINC000235384739 1202604450 /nfs/dbraw/zinc/60/44/50/1202604450.db2.gz DPTREDQAMXMOSI-MFKMUULPSA-N 1 1 320.234 3.358 10 30 DGEEMO N#Cc1nccnc1N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000709625351 1083918993 /nfs/dbraw/zinc/91/89/93/1083918993.db2.gz MIARZVYIQFRALP-KRWDZBQOSA-N 1 1 321.428 3.205 10 30 DGEEMO CC[C@@](C)(C#N)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000354831721 529489533 /nfs/dbraw/zinc/48/95/33/529489533.db2.gz ZOGIITSUYNKTMP-RBUKOAKNSA-N 1 1 313.445 3.097 10 30 DGEEMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000092585963 185327203 /nfs/dbraw/zinc/32/72/03/185327203.db2.gz NBLYLLBTYDBHCI-ZDUSSCGKSA-N 1 1 319.405 3.030 10 30 DGEEMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000092585963 185327204 /nfs/dbraw/zinc/32/72/04/185327204.db2.gz NBLYLLBTYDBHCI-ZDUSSCGKSA-N 1 1 319.405 3.030 10 30 DGEEMO C=C(C)C[NH+]1CCC(NC/C=C/c2ccccc2OC)CC1 ZINC000106245229 432020483 /nfs/dbraw/zinc/02/04/83/432020483.db2.gz VJLOLZNTDKNZKJ-SOFGYWHQSA-N 1 1 300.446 3.339 10 30 DGEEMO C=CCCCN(C)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000152601974 186088661 /nfs/dbraw/zinc/08/86/61/186088661.db2.gz GGCVXSAXBFWEMO-UHFFFAOYSA-N 1 1 303.450 3.246 10 30 DGEEMO Cc1cc(C#N)ccc1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000182073525 199383719 /nfs/dbraw/zinc/38/37/19/199383719.db2.gz ZOAVXDWWMZXKTO-INIZCTEOSA-N 1 1 321.424 3.117 10 30 DGEEMO N#CC1(NC(=O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)CCCCC1 ZINC000114494860 283047902 /nfs/dbraw/zinc/04/79/02/283047902.db2.gz QMGIFBFIKQGPMK-SFHVURJKSA-N 1 1 315.461 3.151 10 30 DGEEMO N#Cc1ccc2ncc(C[N@@H+](CCC(F)(F)F)CC3CC3)n2c1 ZINC000091901566 193124616 /nfs/dbraw/zinc/12/46/16/193124616.db2.gz LGABMWSKKFOSDU-UHFFFAOYSA-N 1 1 322.334 3.370 10 30 DGEEMO C=CCCc1ccccc1NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000455384111 242185875 /nfs/dbraw/zinc/18/58/75/242185875.db2.gz NWIFBHHDIQQQNL-LJQANCHMSA-N 1 1 313.445 3.365 10 30 DGEEMO C=CCCc1ccccc1NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000455387734 242188192 /nfs/dbraw/zinc/18/81/92/242188192.db2.gz UDICJKSPALGIDT-GASCZTMLSA-N 1 1 301.434 3.362 10 30 DGEEMO C=CC(C)(C)CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458982517 243218300 /nfs/dbraw/zinc/21/83/00/243218300.db2.gz AZNHHFLRCMJBMH-KRWDZBQOSA-N 1 1 315.461 3.115 10 30 DGEEMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000093868674 193320865 /nfs/dbraw/zinc/32/08/65/193320865.db2.gz SIFIHDYLNQSMIM-ZBFHGGJFSA-N 1 1 314.458 3.312 10 30 DGEEMO C=C(CNC(=O)NCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000490191866 245388934 /nfs/dbraw/zinc/38/89/34/245388934.db2.gz XZKTVPATWOTRPL-UHFFFAOYSA-N 1 1 315.461 3.264 10 30 DGEEMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171382816 432128449 /nfs/dbraw/zinc/12/84/49/432128449.db2.gz KRVAQXJGAHKNQA-CQSZACIVSA-N 1 1 310.376 3.026 10 30 DGEEMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171382816 432128453 /nfs/dbraw/zinc/12/84/53/432128453.db2.gz KRVAQXJGAHKNQA-CQSZACIVSA-N 1 1 310.376 3.026 10 30 DGEEMO CCOCC[N@H+]1CCN([C@H](C)c2ccc(C#N)cc2)C[C@H]1CC ZINC000246476734 432136764 /nfs/dbraw/zinc/13/67/64/432136764.db2.gz XZWKDHJEEQEWRX-VQIMIIECSA-N 1 1 315.461 3.052 10 30 DGEEMO CCOCCN1CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C[C@H]1CC ZINC000246476734 432136766 /nfs/dbraw/zinc/13/67/66/432136766.db2.gz XZWKDHJEEQEWRX-VQIMIIECSA-N 1 1 315.461 3.052 10 30 DGEEMO CCOCCN1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C[C@H]1CC ZINC000246476734 432136769 /nfs/dbraw/zinc/13/67/69/432136769.db2.gz XZWKDHJEEQEWRX-VQIMIIECSA-N 1 1 315.461 3.052 10 30 DGEEMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000061892218 184193017 /nfs/dbraw/zinc/19/30/17/184193017.db2.gz OKMWVAHERGOLNT-ZYHUDNBSSA-N 1 1 324.178 3.139 10 30 DGEEMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1cc(C#N)ccc1Br ZINC000248858977 285033187 /nfs/dbraw/zinc/03/31/87/285033187.db2.gz WYCGPFCRPFDNBP-GNXNZQSNSA-N 1 1 323.234 3.054 10 30 DGEEMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000248858977 285033190 /nfs/dbraw/zinc/03/31/90/285033190.db2.gz WYCGPFCRPFDNBP-GNXNZQSNSA-N 1 1 323.234 3.054 10 30 DGEEMO C[N@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Cl)cc1 ZINC000031005212 400336717 /nfs/dbraw/zinc/33/67/17/400336717.db2.gz RGYSJCLVHUQEST-UHFFFAOYSA-N 1 1 319.836 3.114 10 30 DGEEMO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)Cc1ccc(Cl)cc1 ZINC000031005212 400336721 /nfs/dbraw/zinc/33/67/21/400336721.db2.gz RGYSJCLVHUQEST-UHFFFAOYSA-N 1 1 319.836 3.114 10 30 DGEEMO N#Cc1ccc(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)c(F)c1 ZINC000611118747 400346893 /nfs/dbraw/zinc/34/68/93/400346893.db2.gz HQLAMYHCNYHTMG-OAHLLOKOSA-N 1 1 317.389 3.295 10 30 DGEEMO N#C[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000611551532 400420222 /nfs/dbraw/zinc/42/02/22/400420222.db2.gz MKLGTVIIDVWMKU-LJQANCHMSA-N 1 1 309.388 3.208 10 30 DGEEMO C=C(C)C[C@H]([NH2+][C@H]1CCC[C@@H](c2cccnc2)C1)C(=O)OC ZINC000602735317 400558842 /nfs/dbraw/zinc/55/88/42/400558842.db2.gz UTYXXOWWROHXDH-PVAVHDDUSA-N 1 1 302.418 3.205 10 30 DGEEMO C=C(C)C[C@H]([NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)C(=O)OC ZINC000602739048 400559774 /nfs/dbraw/zinc/55/97/74/400559774.db2.gz PHBUILLZARXBPV-LIRZEXBASA-N 1 1 317.429 3.285 10 30 DGEEMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000076737090 400669249 /nfs/dbraw/zinc/66/92/49/400669249.db2.gz AKVZQYUREDEEFE-AWEZNQCLSA-N 1 1 304.459 3.412 10 30 DGEEMO C=CCCCN(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000076974267 400682522 /nfs/dbraw/zinc/68/25/22/400682522.db2.gz JHERJAFNDUIYHS-MRXNPFEDSA-N 1 1 303.450 3.115 10 30 DGEEMO CC(C)(C)c1nc(C[NH2+]CCOc2ccc(C#N)cc2)cs1 ZINC000174558839 400859457 /nfs/dbraw/zinc/85/94/57/400859457.db2.gz UJBDKNBFQLJCQZ-UHFFFAOYSA-N 1 1 315.442 3.481 10 30 DGEEMO C=CCNC(=O)C[N@H+]1CCCCC[C@H]1/C=C/c1cccs1 ZINC000181950920 400891213 /nfs/dbraw/zinc/89/12/13/400891213.db2.gz KNBCWOMZMFSZSM-FEAKQIBJSA-N 1 1 304.459 3.308 10 30 DGEEMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000620309723 401054194 /nfs/dbraw/zinc/05/41/94/401054194.db2.gz CTZDKRUBEYJNHM-LZQZEXGQSA-N 1 1 310.441 3.143 10 30 DGEEMO CCc1cc(N2CCC(Oc3ccc(C#N)cc3)CC2)nc(C)[nH+]1 ZINC000272899246 401139205 /nfs/dbraw/zinc/13/92/05/401139205.db2.gz PCIGSWXFZUZMTH-UHFFFAOYSA-N 1 1 322.412 3.267 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)N(C)c2nc3ccccc3s2)C1 ZINC000625704558 401188435 /nfs/dbraw/zinc/18/84/35/401188435.db2.gz ONQFENAMRXXYKS-CYBMUJFWSA-N 1 1 315.442 3.157 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC000625701377 401186013 /nfs/dbraw/zinc/18/60/13/401186013.db2.gz QPHZOSXOBMEVCB-KGLIPLIRSA-N 1 1 322.399 3.382 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000625701378 401186157 /nfs/dbraw/zinc/18/61/57/401186157.db2.gz QPHZOSXOBMEVCB-UONOGXRCSA-N 1 1 322.399 3.382 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](C)c2ccccc2OC)C1 ZINC000625701407 401186472 /nfs/dbraw/zinc/18/64/72/401186472.db2.gz RDVYEXHVRMMTEZ-HOTGVXAUSA-N 1 1 316.445 3.113 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CCCS(=O)(=O)c2cccc(C)c2)C1 ZINC000625702990 401188292 /nfs/dbraw/zinc/18/82/92/401188292.db2.gz PIJWBIPPCKJEPJ-MRXNPFEDSA-N 1 1 307.459 3.057 10 30 DGEEMO C=CCCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000626710611 401400931 /nfs/dbraw/zinc/40/09/31/401400931.db2.gz LCELPWQMFZIOHD-RBUKOAKNSA-N 1 1 312.457 3.227 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000628406343 401591982 /nfs/dbraw/zinc/59/19/82/401591982.db2.gz HXPKMEKOYIVVBT-IAGOWNOFSA-N 1 1 300.446 3.310 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000623597071 401552761 /nfs/dbraw/zinc/55/27/61/401552761.db2.gz VUTQUODANHDPTL-IAGOWNOFSA-N 1 1 315.461 3.115 10 30 DGEEMO C=C1CC(C)(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000632335226 401601697 /nfs/dbraw/zinc/60/16/97/401601697.db2.gz YNTYRGGDODAWCT-WMZOPIPTSA-N 1 1 312.457 3.370 10 30 DGEEMO C=C[C@H](CC(=O)NC[C@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC000628965194 401651040 /nfs/dbraw/zinc/65/10/40/401651040.db2.gz KOKIXOJGUYEKQG-VQIMIIECSA-N 1 1 312.457 3.479 10 30 DGEEMO Cc1ccc(C[NH+]2CCN(c3cccc(F)c3C#N)CC2)c(C)n1 ZINC000186444021 165043120 /nfs/dbraw/zinc/04/31/20/165043120.db2.gz KUWFJBRVAYCCHL-UHFFFAOYSA-N 1 1 324.403 3.031 10 30 DGEEMO Cn1cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)cc1C#N ZINC000191438025 165249676 /nfs/dbraw/zinc/24/96/76/165249676.db2.gz WUZYAUDNSXQOIR-HOCLYGCPSA-N 1 1 315.442 3.046 10 30 DGEEMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000247024511 432192083 /nfs/dbraw/zinc/19/20/83/432192083.db2.gz YCXIPXNVGIWSPU-OKZBNKHCSA-N 1 1 307.409 3.041 10 30 DGEEMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)C[C@H](C)C2)c(C#N)c1C ZINC000246947260 432183052 /nfs/dbraw/zinc/18/30/52/432183052.db2.gz ZOSDOVHKKIOZEN-DYEKYZERSA-N 1 1 317.433 3.463 10 30 DGEEMO C[C@@]1(CNc2ccc(C#N)nc2)CCC[N@H+]1Cc1ccccc1 ZINC000302377809 230226952 /nfs/dbraw/zinc/22/69/52/230226952.db2.gz GBYWTQVCHATEMD-IBGZPJMESA-N 1 1 306.413 3.420 10 30 DGEEMO CC[N@H+]1CCC[C@@H](Nc2ccc(C#N)cc2Br)C1 ZINC000213324183 263834938 /nfs/dbraw/zinc/83/49/38/263834938.db2.gz IXFJGNGAZYEGAF-GFCCVEGCSA-N 1 1 308.223 3.217 10 30 DGEEMO C=CCC[C@H](O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000247434654 432230110 /nfs/dbraw/zinc/23/01/10/432230110.db2.gz NYESCJCVKDUHJH-ULQDDVLXSA-N 1 1 307.434 3.275 10 30 DGEEMO Cc1cc(C)c2ncc(C#N)c(N3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000172757302 432233270 /nfs/dbraw/zinc/23/32/70/432233270.db2.gz NSGIWIMTVICCGN-MRXNPFEDSA-N 1 1 306.413 3.008 10 30 DGEEMO C[C@@H]1CCCC[N@H+]1CCC1CCN(c2ccncc2C#N)CC1 ZINC000364347071 267010826 /nfs/dbraw/zinc/01/08/26/267010826.db2.gz KWJYZFXZHHRFLH-MRXNPFEDSA-N 1 1 312.461 3.434 10 30 DGEEMO C[C@@H]1CCN(c2ccncc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000369963554 267024775 /nfs/dbraw/zinc/02/47/75/267024775.db2.gz GGVJQQNTSPIRQA-MRXNPFEDSA-N 1 1 306.413 3.054 10 30 DGEEMO CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000120043245 279239900 /nfs/dbraw/zinc/23/99/00/279239900.db2.gz JKAREFQJAXLUDA-OAHLLOKOSA-N 1 1 307.397 3.407 10 30 DGEEMO COc1ccc(CC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000112560145 431285677 /nfs/dbraw/zinc/28/56/77/431285677.db2.gz IFSOFIZYPYSLPB-GOSISDBHSA-N 1 1 311.429 3.393 10 30 DGEEMO CC1(C)CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072605146 431342524 /nfs/dbraw/zinc/34/25/24/431342524.db2.gz VIDHOQSWOUJBGH-UHFFFAOYSA-N 1 1 303.431 3.115 10 30 DGEEMO CC1(C)CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072605146 431342528 /nfs/dbraw/zinc/34/25/28/431342528.db2.gz VIDHOQSWOUJBGH-UHFFFAOYSA-N 1 1 303.431 3.115 10 30 DGEEMO CC1(C)CN(Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000119456341 431694247 /nfs/dbraw/zinc/69/42/47/431694247.db2.gz IJKTUAJHXNLBCH-UHFFFAOYSA-N 1 1 309.413 3.248 10 30 DGEEMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000123052641 431853338 /nfs/dbraw/zinc/85/33/38/431853338.db2.gz SIWXJNJYBIQREQ-GOSISDBHSA-N 1 1 309.413 3.041 10 30 DGEEMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000093438118 431913978 /nfs/dbraw/zinc/91/39/78/431913978.db2.gz KSXOVUMSJICXDJ-RDTXWAMCSA-N 1 1 310.401 3.428 10 30 DGEEMO CC(C)[N@@H+](C)CC(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000091101225 431903356 /nfs/dbraw/zinc/90/33/56/431903356.db2.gz GHRAWZUWBHBHHR-UHFFFAOYSA-N 1 1 321.424 3.182 10 30 DGEEMO CC[N@H+]1CC[C@H](N(C)CC#Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000125786305 431936232 /nfs/dbraw/zinc/93/62/32/431936232.db2.gz JKMHUVOCLQPBPF-QAPCUYQASA-N 1 1 304.865 3.354 10 30 DGEEMO CC(=O)Nc1cccc2c1CC[N@H+](CC#Cc1ccccc1)C2 ZINC000191955800 432317880 /nfs/dbraw/zinc/31/78/80/432317880.db2.gz CJCCSXBMSZORRG-UHFFFAOYSA-N 1 1 304.393 3.055 10 30 DGEEMO CC(=O)Nc1cccc2c1CC[N@@H+](CC#Cc1ccccc1)C2 ZINC000191955800 432317881 /nfs/dbraw/zinc/31/78/81/432317881.db2.gz CJCCSXBMSZORRG-UHFFFAOYSA-N 1 1 304.393 3.055 10 30 DGEEMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000191974571 432320377 /nfs/dbraw/zinc/32/03/77/432320377.db2.gz GXBPEGMMAPPGMI-MJGOQNOKSA-N 1 1 312.457 3.055 10 30 DGEEMO N#Cc1cc(N2CCC[N@H+](C3CC3)CC2)ccc1C(F)(F)F ZINC000183993300 432343756 /nfs/dbraw/zinc/34/37/56/432343756.db2.gz JQTIAPMLLLIWLL-UHFFFAOYSA-N 1 1 309.335 3.252 10 30 DGEEMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000249402951 432347319 /nfs/dbraw/zinc/34/73/19/432347319.db2.gz VOLFHEDFIKMSTH-CZUORRHYSA-N 1 1 300.402 3.283 10 30 DGEEMO CO[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1C ZINC000251944476 432374013 /nfs/dbraw/zinc/37/40/13/432374013.db2.gz UXGDBOMZDFKNET-XJKSGUPXSA-N 1 1 311.347 3.414 10 30 DGEEMO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)CC[C@H]1C ZINC000251589405 432369838 /nfs/dbraw/zinc/36/98/38/432369838.db2.gz FLJZEJULJGHARL-IAQYHMDHSA-N 1 1 323.234 3.178 10 30 DGEEMO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)CC[C@H]1C ZINC000251589405 432369842 /nfs/dbraw/zinc/36/98/42/432369842.db2.gz FLJZEJULJGHARL-IAQYHMDHSA-N 1 1 323.234 3.178 10 30 DGEEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)o1 ZINC000193043880 432441705 /nfs/dbraw/zinc/44/17/05/432441705.db2.gz DDVVLGRPJZOEGT-OAHLLOKOSA-N 1 1 311.385 3.186 10 30 DGEEMO CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCN1CC(F)F ZINC000153478024 432414188 /nfs/dbraw/zinc/41/41/88/432414188.db2.gz FOFCAIFPQICGPK-XJKSGUPXSA-N 1 1 307.388 3.281 10 30 DGEEMO CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCN1CC(F)F ZINC000153478024 432414192 /nfs/dbraw/zinc/41/41/92/432414192.db2.gz FOFCAIFPQICGPK-XJKSGUPXSA-N 1 1 307.388 3.281 10 30 DGEEMO COc1ccc(C#N)cc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000153524283 432416443 /nfs/dbraw/zinc/41/64/43/432416443.db2.gz NZXIPJJXEYJNLI-SFHVURJKSA-N 1 1 314.429 3.490 10 30 DGEEMO C=CCCCN(C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194457274 432551869 /nfs/dbraw/zinc/55/18/69/432551869.db2.gz XQHUNQYPHQCHPJ-GOSISDBHSA-N 1 1 315.461 3.116 10 30 DGEEMO Cc1cccc(NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194966520 432590312 /nfs/dbraw/zinc/59/03/12/432590312.db2.gz YUGFTDCXGRFHHM-UHFFFAOYSA-N 1 1 319.408 3.470 10 30 DGEEMO Cc1cccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000194966520 432590315 /nfs/dbraw/zinc/59/03/15/432590315.db2.gz YUGFTDCXGRFHHM-UHFFFAOYSA-N 1 1 319.408 3.470 10 30 DGEEMO COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000195314873 432618545 /nfs/dbraw/zinc/61/85/45/432618545.db2.gz LXRKXEOXSZISGY-MRXNPFEDSA-N 1 1 322.408 3.370 10 30 DGEEMO CC(C)[N@@H+](CCOc1ccc(C#N)cc1)CCc1nccs1 ZINC000159837215 432697808 /nfs/dbraw/zinc/69/78/08/432697808.db2.gz VLYOKNUIIAFVIW-UHFFFAOYSA-N 1 1 315.442 3.347 10 30 DGEEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000160005232 432703559 /nfs/dbraw/zinc/70/35/59/432703559.db2.gz WQLVBOLJZSDANE-QGZVFWFLSA-N 1 1 324.428 3.163 10 30 DGEEMO C=CCC[C@@H](C(=O)N1CCC[N@H+](C2CC2)CC1)c1ccccc1 ZINC000188814000 432746782 /nfs/dbraw/zinc/74/67/82/432746782.db2.gz YVVCBSMPCJRTBQ-LJQANCHMSA-N 1 1 312.457 3.433 10 30 DGEEMO C=C(C)CN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245514957 432839035 /nfs/dbraw/zinc/83/90/35/432839035.db2.gz CUQNUEQUZCOFOF-CVEARBPZSA-N 1 1 321.852 3.303 10 30 DGEEMO C=C(C)CN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245514957 432839036 /nfs/dbraw/zinc/83/90/36/432839036.db2.gz CUQNUEQUZCOFOF-CVEARBPZSA-N 1 1 321.852 3.303 10 30 DGEEMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1sccc1C#N ZINC000245439395 432830200 /nfs/dbraw/zinc/83/02/00/432830200.db2.gz FUNIBACSDAICIN-MBNYWOFBSA-N 1 1 303.431 3.211 10 30 DGEEMO Cc1cc(C#N)ccc1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000161745649 432795345 /nfs/dbraw/zinc/79/53/45/432795345.db2.gz QWJJOFFAJGMZTI-INIZCTEOSA-N 1 1 313.445 3.251 10 30 DGEEMO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)c1 ZINC000245770231 432861769 /nfs/dbraw/zinc/86/17/69/432861769.db2.gz ROMXXRKEXKTKDV-AEFFLSMTSA-N 1 1 324.428 3.320 10 30 DGEEMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000245694931 432856940 /nfs/dbraw/zinc/85/69/40/432856940.db2.gz CDNHPFREVVLPPQ-DNVCBOLYSA-N 1 1 323.396 3.026 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000446711494 433083903 /nfs/dbraw/zinc/08/39/03/433083903.db2.gz MRJDKPJYXMTJMQ-FXAWDEMLSA-N 1 1 312.457 3.239 10 30 DGEEMO C=CCCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000448028512 433351199 /nfs/dbraw/zinc/35/11/99/433351199.db2.gz DDJZTUYWHHFBDF-GDBMZVCRSA-N 1 1 321.490 3.396 10 30 DGEEMO C=CCCCNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000448034831 433356495 /nfs/dbraw/zinc/35/64/95/433356495.db2.gz LRWSKEXUCVIXGA-KRWDZBQOSA-N 1 1 315.461 3.259 10 30 DGEEMO N#Cc1cccnc1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000301124597 433426484 /nfs/dbraw/zinc/42/64/84/433426484.db2.gz XWYAMHUNDCQSNW-GOSISDBHSA-N 1 1 306.413 3.420 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000448368593 433397463 /nfs/dbraw/zinc/39/74/63/433397463.db2.gz WSUSYGHBZLLREA-FRQCXROJSA-N 1 1 317.429 3.020 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)cc1 ZINC000448377198 433405847 /nfs/dbraw/zinc/40/58/47/433405847.db2.gz RGWQWYGVLKCYBN-FCEWJHQRSA-N 1 1 317.429 3.020 10 30 DGEEMO C=CCCCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000448391725 433406109 /nfs/dbraw/zinc/40/61/09/433406109.db2.gz UUTUWGPXSRUOQW-SFHVURJKSA-N 1 1 315.461 3.259 10 30 DGEEMO Cc1cc(C#N)cc(N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000342047243 433435518 /nfs/dbraw/zinc/43/55/18/433435518.db2.gz UPBKNYBOTZFNQO-UHFFFAOYSA-N 1 1 320.440 3.363 10 30 DGEEMO CC(C)(C#N)CCC[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000361986106 433485578 /nfs/dbraw/zinc/48/55/78/433485578.db2.gz PNAPMMFRMXRSOP-KRWDZBQOSA-N 1 1 302.418 3.096 10 30 DGEEMO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000361986106 433485569 /nfs/dbraw/zinc/48/55/69/433485569.db2.gz PNAPMMFRMXRSOP-KRWDZBQOSA-N 1 1 302.418 3.096 10 30 DGEEMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000362143849 433544523 /nfs/dbraw/zinc/54/45/23/433544523.db2.gz YLDPINDFUXVABP-ROUUACIJSA-N 1 1 316.420 3.456 10 30 DGEEMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000362143849 433544530 /nfs/dbraw/zinc/54/45/30/433544530.db2.gz YLDPINDFUXVABP-ROUUACIJSA-N 1 1 316.420 3.456 10 30 DGEEMO C=CCc1cc(C[N@@H+]2CCO[C@H](C3CCC3)C2)cc(OC)c1O ZINC000414467438 433635447 /nfs/dbraw/zinc/63/54/47/433635447.db2.gz BDXQXNZKIRGRDK-SFHVURJKSA-N 1 1 317.429 3.130 10 30 DGEEMO C=CCc1cc(C[N@H+]2CCO[C@H](C3CCC3)C2)cc(OC)c1O ZINC000414467438 433635456 /nfs/dbraw/zinc/63/54/56/433635456.db2.gz BDXQXNZKIRGRDK-SFHVURJKSA-N 1 1 317.429 3.130 10 30 DGEEMO C=C[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000362368294 433662788 /nfs/dbraw/zinc/66/27/88/433662788.db2.gz ACRAJCUMKWLSCZ-KCQAQPDRSA-N 1 1 307.463 3.005 10 30 DGEEMO C=CCc1cc(C[N@@H+]2CCC[C@@H](COC)CC2)cc(OC)c1O ZINC000449768660 433779774 /nfs/dbraw/zinc/77/97/74/433779774.db2.gz AQHYUSTZYNYJPN-OAHLLOKOSA-N 1 1 319.445 3.378 10 30 DGEEMO C#CCC(CC#C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000376851176 433829600 /nfs/dbraw/zinc/82/96/00/433829600.db2.gz WUHLFCDMCZDBMR-HNNXBMFYSA-N 1 1 319.408 3.021 10 30 DGEEMO C=CC(C)(C)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000449906215 433865939 /nfs/dbraw/zinc/86/59/39/433865939.db2.gz XFIIIWSWZJQFRX-HUUCEWRRSA-N 1 1 316.445 3.447 10 30 DGEEMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)C1 ZINC000294194104 434035203 /nfs/dbraw/zinc/03/52/03/434035203.db2.gz RDRFENQUSOBWLJ-UTUOFQBUSA-N 1 1 312.339 3.300 10 30 DGEEMO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)C1 ZINC000294194104 434035210 /nfs/dbraw/zinc/03/52/10/434035210.db2.gz RDRFENQUSOBWLJ-UTUOFQBUSA-N 1 1 312.339 3.300 10 30 DGEEMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)C1 ZINC000294194104 434035215 /nfs/dbraw/zinc/03/52/15/434035215.db2.gz RDRFENQUSOBWLJ-UTUOFQBUSA-N 1 1 312.339 3.300 10 30 DGEEMO CC(=O)Nc1ccn([C@H]2CC[N@@H+](C/C=C/c3ccccc3)C2)n1 ZINC000328630817 434294112 /nfs/dbraw/zinc/29/41/12/434294112.db2.gz QFVBNQGZOXERBY-JZLODUJNSA-N 1 1 310.401 3.451 10 30 DGEEMO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328717894 434300041 /nfs/dbraw/zinc/30/00/41/434300041.db2.gz UULLYKJMNBTREZ-ZBFHGGJFSA-N 1 1 304.438 3.198 10 30 DGEEMO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H](n3cccn3)C2)[C@H]1C ZINC000328687708 434301247 /nfs/dbraw/zinc/30/12/47/434301247.db2.gz HEQSZARRFXLKDY-QZWWFDLISA-N 1 1 318.465 3.301 10 30 DGEEMO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H](n3cccn3)C2)[C@H]1C ZINC000328687708 434301254 /nfs/dbraw/zinc/30/12/54/434301254.db2.gz HEQSZARRFXLKDY-QZWWFDLISA-N 1 1 318.465 3.301 10 30 DGEEMO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](n2cccn2)C1)c1cccs1 ZINC000328700676 434301689 /nfs/dbraw/zinc/30/16/89/434301689.db2.gz MWDHGCPIXCBOGA-KBPBESRZSA-N 1 1 318.446 3.299 10 30 DGEEMO C[C@H](NC(=O)C[N@H+]1CCC[C@H](n2cccn2)C1)c1cccs1 ZINC000328700676 434301693 /nfs/dbraw/zinc/30/16/93/434301693.db2.gz MWDHGCPIXCBOGA-KBPBESRZSA-N 1 1 318.446 3.299 10 30 DGEEMO CC(=O)N[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)C1CCCC1 ZINC000329192939 434369031 /nfs/dbraw/zinc/36/90/31/434369031.db2.gz TVZQEVGTZZOPDA-WBVHZDCISA-N 1 1 321.465 3.495 10 30 DGEEMO C[C@@H](NCC[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000358578616 434398340 /nfs/dbraw/zinc/39/83/40/434398340.db2.gz VSCKSYNPWMDOCL-OAHLLOKOSA-N 1 1 311.404 3.480 10 30 DGEEMO C[C@@H](NCC[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1F ZINC000358578616 434398349 /nfs/dbraw/zinc/39/83/49/434398349.db2.gz VSCKSYNPWMDOCL-OAHLLOKOSA-N 1 1 311.404 3.480 10 30 DGEEMO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000358572473 434398736 /nfs/dbraw/zinc/39/87/36/434398736.db2.gz QBLSEBYPLDJJOQ-DIFFPNOSSA-N 1 1 302.324 3.221 10 30 DGEEMO C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(C#N)cc1F ZINC000358585001 434398860 /nfs/dbraw/zinc/39/88/60/434398860.db2.gz IFOUXHFDAWSPQF-ACJLOTCBSA-N 1 1 323.371 3.153 10 30 DGEEMO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358562621 434399247 /nfs/dbraw/zinc/39/92/47/434399247.db2.gz HPVKOQQBNUQGAL-LBPRGKRZSA-N 1 1 314.408 3.406 10 30 DGEEMO C=CCOc1ccc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000359455089 434418544 /nfs/dbraw/zinc/41/85/44/434418544.db2.gz FDSNYLWLRUJZSQ-QGZVFWFLSA-N 1 1 316.445 3.132 10 30 DGEEMO CCc1nnc(C)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000329543162 434428883 /nfs/dbraw/zinc/42/88/83/434428883.db2.gz YDPIBXPULSPSEH-MSOLQXFVSA-N 1 1 324.428 3.097 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cc1OC ZINC000438373245 434475060 /nfs/dbraw/zinc/47/50/60/434475060.db2.gz JFPLIJSCLPZURD-ZNMIVQPWSA-N 1 1 305.418 3.258 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cc1OC ZINC000438373245 434475071 /nfs/dbraw/zinc/47/50/71/434475071.db2.gz JFPLIJSCLPZURD-ZNMIVQPWSA-N 1 1 305.418 3.258 10 30 DGEEMO CN(c1ccncc1C#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000399461380 434477281 /nfs/dbraw/zinc/47/72/81/434477281.db2.gz RGBLAQGENQFDLB-GOSISDBHSA-N 1 1 306.413 3.054 10 30 DGEEMO Cc1cc(C)n([C@@H](C)CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC000329804979 434484892 /nfs/dbraw/zinc/48/48/92/434484892.db2.gz KNVCVMYDXGUSCH-XYTVBORESA-N 1 1 318.465 3.423 10 30 DGEEMO CC(C)(C)OC(=O)[C@]12CCC[C@H]1C[N@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000407993913 434534140 /nfs/dbraw/zinc/53/41/40/434534140.db2.gz WDJRJMQTYYJDEE-XSWJXKHESA-N 1 1 304.434 3.122 10 30 DGEEMO CC(C)(C)OC(=O)[C@]12CCC[C@H]1C[N@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000407993912 434534912 /nfs/dbraw/zinc/53/49/12/434534912.db2.gz WDJRJMQTYYJDEE-LLDVTBCESA-N 1 1 304.434 3.122 10 30 DGEEMO C#CCC[N@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000371195661 434653011 /nfs/dbraw/zinc/65/30/11/434653011.db2.gz ODWOTLFEAUNBJM-UHFFFAOYSA-N 1 1 314.477 3.222 10 30 DGEEMO C=CCOc1cccc(CNC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527810010 435015989 /nfs/dbraw/zinc/01/59/89/435015989.db2.gz TUBDZUJBWRTWOP-GOSISDBHSA-N 1 1 300.446 3.358 10 30 DGEEMO C=CCOc1cccc(CNC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527810010 435015991 /nfs/dbraw/zinc/01/59/91/435015991.db2.gz TUBDZUJBWRTWOP-GOSISDBHSA-N 1 1 300.446 3.358 10 30 DGEEMO C=CCN1CCC([NH2+][C@@H](C)c2cc(-c3ccccc3)n(C)n2)CC1 ZINC000527860790 435016284 /nfs/dbraw/zinc/01/62/84/435016284.db2.gz XUEYGLSDOARFPK-INIZCTEOSA-N 1 1 324.472 3.388 10 30 DGEEMO C=CCCN(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000467103891 435108588 /nfs/dbraw/zinc/10/85/88/435108588.db2.gz KTFFYRSBVGUWNY-HOCLYGCPSA-N 1 1 321.490 3.349 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)cc1 ZINC000467387154 435119759 /nfs/dbraw/zinc/11/97/59/435119759.db2.gz FGAMQMHXBIEJLK-JQHSSLGASA-N 1 1 315.413 3.025 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)cc1 ZINC000467387154 435119760 /nfs/dbraw/zinc/11/97/60/435119760.db2.gz FGAMQMHXBIEJLK-JQHSSLGASA-N 1 1 315.413 3.025 10 30 DGEEMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000532124865 435141834 /nfs/dbraw/zinc/14/18/34/435141834.db2.gz LHPLPRUNAKMBHK-CQSZACIVSA-N 1 1 312.479 3.077 10 30 DGEEMO C=CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000565205701 435277285 /nfs/dbraw/zinc/27/72/85/435277285.db2.gz CUDLYIAVZHOJIE-GOSISDBHSA-N 1 1 315.461 3.156 10 30 DGEEMO C=CCCC[C@@H](C)[N@H+]1CCCN(c2nccc(OCC)n2)CC1 ZINC000537047833 435424323 /nfs/dbraw/zinc/42/43/23/435424323.db2.gz QBIQYQOFJKYAPV-MRXNPFEDSA-N 1 1 318.465 3.132 10 30 DGEEMO C=CCOc1ccccc1CN(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000539817321 435569550 /nfs/dbraw/zinc/56/95/50/435569550.db2.gz NSMAKJGEQAXRIC-FUHWJXTLSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCCCCCNc1ncnc2c1cnn2-c1cc[nH+]cc1 ZINC000565488418 331700555 /nfs/dbraw/zinc/70/05/55/331700555.db2.gz HXMQBFMHJNTOGG-UHFFFAOYSA-N 1 1 308.389 3.369 10 30 DGEEMO C=CCCCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000569375721 332067220 /nfs/dbraw/zinc/06/72/20/332067220.db2.gz BIBAEXVIHVOVIS-SJORKVTESA-N 1 1 307.482 3.390 10 30 DGEEMO C=C(C)C[N@@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000181273366 332188836 /nfs/dbraw/zinc/18/88/36/332188836.db2.gz JWRHYVOUVDCXHC-NSHDSACASA-N 1 1 304.217 3.241 10 30 DGEEMO C=CC[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000188409299 333365640 /nfs/dbraw/zinc/36/56/40/333365640.db2.gz DHVSMGLSQDURRP-MSOLQXFVSA-N 1 1 300.446 3.289 10 30 DGEEMO C=CC[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000188409324 333365657 /nfs/dbraw/zinc/36/56/57/333365657.db2.gz DHVSMGLSQDURRP-ROUUACIJSA-N 1 1 300.446 3.289 10 30 DGEEMO N#Cc1ccc(-c2c[nH]c3[nH+]ccc(N4CCOCC4)c23)c(F)c1 ZINC000584598795 337370627 /nfs/dbraw/zinc/37/06/27/337370627.db2.gz JYIATLREBRAJGZ-UHFFFAOYSA-N 1 1 322.343 3.077 10 30 DGEEMO C=CCOc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000552268478 341382458 /nfs/dbraw/zinc/38/24/58/341382458.db2.gz KVMFBCVMPYSRLS-KURKYZTESA-N 1 1 300.446 3.214 10 30 DGEEMO C=CCOc1ccccc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000552268478 341382459 /nfs/dbraw/zinc/38/24/59/341382459.db2.gz KVMFBCVMPYSRLS-KURKYZTESA-N 1 1 300.446 3.214 10 30 DGEEMO C=CCC[C@H](C[N@@H+]1CCCN(C)CC1)Oc1ccc(Cl)cn1 ZINC000067641692 518720086 /nfs/dbraw/zinc/72/00/86/518720086.db2.gz GVTIGZHAFKRCKD-MRXNPFEDSA-N 1 1 323.868 3.086 10 30 DGEEMO C=CCC[C@H](CN1CCC[N@@H+](C)CC1)Oc1ccc(Cl)cn1 ZINC000067641692 518720096 /nfs/dbraw/zinc/72/00/96/518720096.db2.gz GVTIGZHAFKRCKD-MRXNPFEDSA-N 1 1 323.868 3.086 10 30 DGEEMO C=CCC[C@H](CN1CCC[N@H+](C)CC1)Oc1ccc(Cl)cn1 ZINC000067641692 518720103 /nfs/dbraw/zinc/72/01/03/518720103.db2.gz GVTIGZHAFKRCKD-MRXNPFEDSA-N 1 1 323.868 3.086 10 30 DGEEMO N#CCSCCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000074990215 534706410 /nfs/dbraw/zinc/70/64/10/534706410.db2.gz ZXRMRVWABXNYKH-CQSZACIVSA-N 1 1 304.415 3.199 10 30 DGEEMO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000179909771 525525852 /nfs/dbraw/zinc/52/58/52/525525852.db2.gz ZANFHMZXFLBFID-CQSZACIVSA-N 1 1 302.381 3.153 10 30 DGEEMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000179909771 525525860 /nfs/dbraw/zinc/52/58/60/525525860.db2.gz ZANFHMZXFLBFID-CQSZACIVSA-N 1 1 302.381 3.153 10 30 DGEEMO C=CC[N@H+](Cc1ccc(CO)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000182697870 526334157 /nfs/dbraw/zinc/33/41/57/526334157.db2.gz SQKIDQZHMMNCHN-UHFFFAOYSA-N 1 1 312.369 3.275 10 30 DGEEMO C=CC[N@@H+](Cc1nc2cc(Br)ccc2[nH]1)C1CC1 ZINC000360140306 526383255 /nfs/dbraw/zinc/38/32/55/526383255.db2.gz OFLSDTDEPAJSLO-UHFFFAOYSA-N 1 1 306.207 3.476 10 30 DGEEMO C=CC[N@H+](Cc1nc2cc(Br)ccc2[nH]1)C1CC1 ZINC000360140306 526383258 /nfs/dbraw/zinc/38/32/58/526383258.db2.gz OFLSDTDEPAJSLO-UHFFFAOYSA-N 1 1 306.207 3.476 10 30 DGEEMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H]1CCO[C@H](CC)C1 ZINC000348639808 526560856 /nfs/dbraw/zinc/56/08/56/526560856.db2.gz ZMCGMXJNRCGPHU-JKSUJKDBSA-N 1 1 307.434 3.355 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000430150438 526868962 /nfs/dbraw/zinc/86/89/62/526868962.db2.gz RZSJZOYYAIUFOY-SFHVURJKSA-N 1 1 301.430 3.500 10 30 DGEEMO C=CCOc1cccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000431751090 526911214 /nfs/dbraw/zinc/91/12/14/526911214.db2.gz CEVIJKAGOROMHH-INIZCTEOSA-N 1 1 302.418 3.454 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+](CCO)Cc1ccc(C)o1 ZINC000355654455 526929936 /nfs/dbraw/zinc/92/99/36/526929936.db2.gz LLSHDSPZGVMXBD-UHFFFAOYSA-N 1 1 301.386 3.147 10 30 DGEEMO C=CCOc1ccccc1C[N@H+](CCO)Cc1ccc(C)o1 ZINC000355654455 526929941 /nfs/dbraw/zinc/92/99/41/526929941.db2.gz LLSHDSPZGVMXBD-UHFFFAOYSA-N 1 1 301.386 3.147 10 30 DGEEMO C=CCCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000351639586 527159202 /nfs/dbraw/zinc/15/92/02/527159202.db2.gz QJJWVOCARZNDRY-IAGOWNOFSA-N 1 1 301.434 3.087 10 30 DGEEMO C=CCCC[C@@H](C)[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000341126143 527249945 /nfs/dbraw/zinc/24/99/45/527249945.db2.gz NFAUWKJBDXIXPT-OAHLLOKOSA-N 1 1 322.474 3.013 10 30 DGEEMO C=CCCN(C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000342371650 527310631 /nfs/dbraw/zinc/31/06/31/527310631.db2.gz FYEAXXKXYOJZRI-AWEZNQCLSA-N 1 1 312.417 3.459 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000444698653 527625654 /nfs/dbraw/zinc/62/56/54/527625654.db2.gz CYHYIWNEXOJEMY-QGZVFWFLSA-N 1 1 300.446 3.324 10 30 DGEEMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177168030 528055264 /nfs/dbraw/zinc/05/52/64/528055264.db2.gz HRMQLTLWJJXHFU-KRWDZBQOSA-N 1 1 318.848 3.024 10 30 DGEEMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177168030 528055269 /nfs/dbraw/zinc/05/52/69/528055269.db2.gz HRMQLTLWJJXHFU-KRWDZBQOSA-N 1 1 318.848 3.024 10 30 DGEEMO CC[N@H+]1CCC[C@@H](Nc2cccc(Br)c2C#N)C1 ZINC000168495345 529059660 /nfs/dbraw/zinc/05/96/60/529059660.db2.gz KYRGRUVHIZDSQR-LLVKDONJSA-N 1 1 308.223 3.217 10 30 DGEEMO C#Cc1cccc(NC(=S)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000730731943 574535023 /nfs/dbraw/zinc/53/50/23/574535023.db2.gz SMUMKUFUUZNFMV-GASCZTMLSA-N 1 1 315.486 3.217 10 30 DGEEMO C#CCOc1ccc(CNCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000733327651 574616383 /nfs/dbraw/zinc/61/63/83/574616383.db2.gz ALSQZFDVJRDTDO-CALCHBBNSA-N 1 1 300.446 3.051 10 30 DGEEMO C#CCOc1ccc(CNCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000733327651 574616385 /nfs/dbraw/zinc/61/63/85/574616385.db2.gz ALSQZFDVJRDTDO-CALCHBBNSA-N 1 1 300.446 3.051 10 30 DGEEMO Cc1cc(C)nc(N=NC2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000734363340 574657874 /nfs/dbraw/zinc/65/78/74/574657874.db2.gz ZABPQBYJGOAEMY-CQSZACIVSA-N 1 1 323.444 3.403 10 30 DGEEMO C[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H]1CCCOC1 ZINC000735310064 574697005 /nfs/dbraw/zinc/69/70/05/574697005.db2.gz YXHKQSBBIDWJDB-ZDUSSCGKSA-N 1 1 308.809 3.101 10 30 DGEEMO CCCC[N@@H+](CCOC)Cc1cc(Cl)ccc1OCC#N ZINC000735309965 574697072 /nfs/dbraw/zinc/69/70/72/574697072.db2.gz XMIRBGYDNJCMOM-UHFFFAOYSA-N 1 1 310.825 3.491 10 30 DGEEMO CCOC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735311472 574697152 /nfs/dbraw/zinc/69/71/52/574697152.db2.gz QNHVIIJBDJKSCX-CQSZACIVSA-N 1 1 322.836 3.491 10 30 DGEEMO C=C(C)CNC(=S)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000741500520 574960185 /nfs/dbraw/zinc/96/01/85/574960185.db2.gz ZCGFKRLGXUNTSS-ZFWWWQNUSA-N 1 1 323.531 3.171 10 30 DGEEMO CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000741779155 574970125 /nfs/dbraw/zinc/97/01/25/574970125.db2.gz QOBJQAIMLDTONM-HOTGVXAUSA-N 1 1 306.450 3.121 10 30 DGEEMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)/C=C(/C)c1ccccc1Cl ZINC000729812181 575263825 /nfs/dbraw/zinc/26/38/25/575263825.db2.gz OGJBEKCVIOGCTM-IKESIWSLSA-N 1 1 317.816 3.384 10 30 DGEEMO C=CCc1cc(OCC)cc(C[N@@H+](C)C[C@@H]2CCCO2)c1O ZINC000151719465 620472099 /nfs/dbraw/zinc/47/20/99/620472099.db2.gz VJYYAHHSTHNNDU-INIZCTEOSA-N 1 1 305.418 3.130 10 30 DGEEMO C#CCOc1ccccc1C[N@@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000122916653 622428592 /nfs/dbraw/zinc/42/85/92/622428592.db2.gz IRUVKSZRCJCVKS-GOSISDBHSA-N 1 1 323.440 3.295 10 30 DGEEMO CC[C@H]1CCC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000131048424 625937341 /nfs/dbraw/zinc/93/73/41/625937341.db2.gz NDGSEPDROQYJNL-HNNXBMFYSA-N 1 1 309.417 3.205 10 30 DGEEMO N#CCc1ccc(C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC000721450957 655655871 /nfs/dbraw/zinc/65/58/71/655655871.db2.gz RCZARPASEXMQSA-CYBMUJFWSA-N 1 1 300.349 3.232 10 30 DGEEMO N#CCc1ccc(C[N@H+]2CCS[C@@H](C(F)(F)F)C2)cc1 ZINC000721450957 655655873 /nfs/dbraw/zinc/65/58/73/655655873.db2.gz RCZARPASEXMQSA-CYBMUJFWSA-N 1 1 300.349 3.232 10 30 DGEEMO C#CC[N@H+](Cc1cc(=O)oc2c(C)c(O)ccc12)C1CCCC1 ZINC000155786798 655760709 /nfs/dbraw/zinc/76/07/09/655760709.db2.gz OWZPVOMTPLZQSK-UHFFFAOYSA-N 1 1 311.381 3.185 10 30 DGEEMO C[N@@H+](CCCOC(=O)c1cc(C#N)cs1)Cc1ccccc1 ZINC000177195978 655916978 /nfs/dbraw/zinc/91/69/78/655916978.db2.gz RRSSXENMDRUHGR-UHFFFAOYSA-N 1 1 314.410 3.299 10 30 DGEEMO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ncc(Br)s1 ZINC000714949010 661204645 /nfs/dbraw/zinc/20/46/45/661204645.db2.gz BMLTTWCWIPVEBY-QMMMGPOBSA-N 1 1 302.241 3.324 10 30 DGEEMO CCc1cccc(CC)c1NC(=O)CO[NH+]=C(N)CCC(C)C ZINC000066374530 655948665 /nfs/dbraw/zinc/94/86/65/655948665.db2.gz NKBCGXFLGJYVJA-UHFFFAOYSA-N 1 1 319.449 3.475 10 30 DGEEMO C=CCc1cc(OCC)cc(C[N@H+]2CCCSCC2)c1O ZINC000098051529 657793876 /nfs/dbraw/zinc/79/38/76/657793876.db2.gz MTLYORJJHPSXGV-UHFFFAOYSA-N 1 1 307.459 3.458 10 30 DGEEMO CC(C)Cn1ccnc1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000181809644 660020944 /nfs/dbraw/zinc/02/09/44/660020944.db2.gz UTPKUIAAGNTQSZ-HNNXBMFYSA-N 1 1 312.417 3.292 10 30 DGEEMO C#CC[N@@H+](CC(=O)Nc1cccc2c1N=S=N2)C1CCCC1 ZINC000155807362 661853066 /nfs/dbraw/zinc/85/30/66/661853066.db2.gz NOWSIZLRAYIJCU-UHFFFAOYSA-N 1 1 314.414 3.229 10 30 DGEEMO C#CC[N@H+](CC(=O)Nc1cccc2c1N=S=N2)C1CCCC1 ZINC000155807362 661853069 /nfs/dbraw/zinc/85/30/69/661853069.db2.gz NOWSIZLRAYIJCU-UHFFFAOYSA-N 1 1 314.414 3.229 10 30 DGEEMO C#CCOc1ccccc1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000092812759 662336112 /nfs/dbraw/zinc/33/61/12/662336112.db2.gz PJRCTNLSHMJKBH-QGZVFWFLSA-N 1 1 321.424 3.028 10 30 DGEEMO C[N@H+]1CCCC[C@@H]1CNc1cc(Br)ccc1C#N ZINC000123210880 1199379205 /nfs/dbraw/zinc/37/92/05/1199379205.db2.gz LGVRFAHTKKLFOM-CYBMUJFWSA-N 1 1 308.223 3.217 10 30 DGEEMO C=CCCC[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000429167227 1199823754 /nfs/dbraw/zinc/82/37/54/1199823754.db2.gz KUDCJASGCOHTQF-JKSUJKDBSA-N 1 1 307.821 3.495 10 30 DGEEMO C[C@H]1C[C@@H](Nc2cc(Br)ccc2C#N)C[N@H+]1C1CC1 ZINC000235735261 1202604644 /nfs/dbraw/zinc/60/46/44/1202604644.db2.gz DPTREDQAMXMOSI-GXFFZTMASA-N 1 1 320.234 3.358 10 30 DGEEMO C[C@H](Cc1ccsc1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000246068391 1203707912 /nfs/dbraw/zinc/70/79/12/1203707912.db2.gz RVWICCHRAKLVOK-CXAGYDPISA-N 1 1 300.427 3.216 10 30 DGEEMO C[N@H+](Cc1ccc(Cl)s1)C[C@H](O)c1cccc(C#N)c1 ZINC000402219734 1093992377 /nfs/dbraw/zinc/99/23/77/1093992377.db2.gz QURUPCZVVYRRJP-AWEZNQCLSA-N 1 1 306.818 3.439 10 30 DGEEMO CC[C@@](C)(C#N)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000354831719 529489509 /nfs/dbraw/zinc/48/95/09/529489509.db2.gz ZOGIITSUYNKTMP-OALUTQOASA-N 1 1 313.445 3.097 10 30 DGEEMO C=CCOc1ccccc1C[NH2+]C1CCN(CC(=C)C)CC1 ZINC000106246192 432020877 /nfs/dbraw/zinc/02/08/77/432020877.db2.gz PPKRVUIADUIUOW-UHFFFAOYSA-N 1 1 300.446 3.382 10 30 DGEEMO N#CC1(NC(=O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)CCCCC1 ZINC000114494862 283047862 /nfs/dbraw/zinc/04/78/62/283047862.db2.gz QMGIFBFIKQGPMK-GOSISDBHSA-N 1 1 315.461 3.151 10 30 DGEEMO CC[N@H+](Cc1c(C)nn(C)c1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463819 199040593 /nfs/dbraw/zinc/04/05/93/199040593.db2.gz UBQXWPNXMSOQTR-AWEZNQCLSA-N 1 1 312.417 3.192 10 30 DGEEMO CC[N@@H+](Cc1c(C)nn(C)c1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463819 199040594 /nfs/dbraw/zinc/04/05/94/199040594.db2.gz UBQXWPNXMSOQTR-AWEZNQCLSA-N 1 1 312.417 3.192 10 30 DGEEMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1 ZINC000246113967 432097190 /nfs/dbraw/zinc/09/71/90/432097190.db2.gz XXBIJOVGICXEAE-YLJYHZDGSA-N 1 1 324.399 3.295 10 30 DGEEMO C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000275482059 212363409 /nfs/dbraw/zinc/36/34/09/212363409.db2.gz BAVJGQJEOJPNOA-LJQANCHMSA-N 1 1 320.440 3.444 10 30 DGEEMO C=CC[N@@H+](CCC1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246243309 432112337 /nfs/dbraw/zinc/11/23/37/432112337.db2.gz OHOFZSWVADRIST-INMHGKMJSA-N 1 1 313.507 3.124 10 30 DGEEMO C=CC[N@H+](CCC1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246243309 432112341 /nfs/dbraw/zinc/11/23/41/432112341.db2.gz OHOFZSWVADRIST-INMHGKMJSA-N 1 1 313.507 3.124 10 30 DGEEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000120175261 195111684 /nfs/dbraw/zinc/11/16/84/195111684.db2.gz IEBBCOWHHWOGCK-MRXNPFEDSA-N 1 1 312.392 3.293 10 30 DGEEMO CC[N@@H+](CCc1nccs1)Cc1cn2ccccc2c1C#N ZINC000159302196 197343664 /nfs/dbraw/zinc/34/36/64/197343664.db2.gz RPILLKMNIKMGRX-UHFFFAOYSA-N 1 1 310.426 3.332 10 30 DGEEMO COc1cc2c(c(C[NH+]3CCC(C)(C#N)CC3)c1)O[C@H](C)C2 ZINC000356942815 533149669 /nfs/dbraw/zinc/14/96/69/533149669.db2.gz ABXULNRMNQXFDY-CYBMUJFWSA-N 1 1 300.402 3.144 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000581888213 400083246 /nfs/dbraw/zinc/08/32/46/400083246.db2.gz VUOYDRDIGGQKKC-QFBILLFUSA-N 1 1 300.446 3.370 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000581864002 400083359 /nfs/dbraw/zinc/08/33/59/400083359.db2.gz ZWIDWFCIABFGRQ-QGZVFWFLSA-N 1 1 302.462 3.282 10 30 DGEEMO C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C(C)(C)c1ccccc1 ZINC000585754296 400138524 /nfs/dbraw/zinc/13/85/24/400138524.db2.gz GCODODYMIDFDOL-UHFFFAOYSA-N 1 1 321.424 3.042 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)cc1 ZINC000092095342 400153273 /nfs/dbraw/zinc/15/32/73/400153273.db2.gz SLUMQJVXUJQHFN-IPMKNSEASA-N 1 1 317.429 3.020 10 30 DGEEMO C=CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617009013 400271286 /nfs/dbraw/zinc/27/12/86/400271286.db2.gz QGJZKXIHXGDLKK-DLBZAZTESA-N 1 1 300.446 3.335 10 30 DGEEMO Cn1cc[nH+]c1C[C@@H](Nc1ccc(C#N)nc1)c1ccccc1 ZINC000610541754 400272728 /nfs/dbraw/zinc/27/27/28/400272728.db2.gz NRBRGJBFXMCZKH-QGZVFWFLSA-N 1 1 303.369 3.083 10 30 DGEEMO C=CC[C@H]1CCCC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000617043992 400292160 /nfs/dbraw/zinc/29/21/60/400292160.db2.gz HMCMVMYIJAWFLD-WMLDXEAASA-N 1 1 310.401 3.132 10 30 DGEEMO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000617044042 400292304 /nfs/dbraw/zinc/29/23/04/400292304.db2.gz IBEXTDRIDNADAZ-BFYDXBDKSA-N 1 1 301.434 3.005 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000093870212 400261175 /nfs/dbraw/zinc/26/11/75/400261175.db2.gz KEPMHACEUHVKSK-INIZCTEOSA-N 1 1 311.429 3.050 10 30 DGEEMO C=CCOc1ccccc1C[NH2+]Cc1ccc(C(=O)OCC)o1 ZINC000611439545 400402149 /nfs/dbraw/zinc/40/21/49/400402149.db2.gz CARXWKPFJLVIQX-UHFFFAOYSA-N 1 1 315.369 3.311 10 30 DGEEMO CCCN1C(=S)SC(C)(C)[C@@H]1/[N+](O)=C/c1cccs1 ZINC000143949233 400638632 /nfs/dbraw/zinc/63/86/32/400638632.db2.gz MYNBYMHCAHQSQB-GPILYODUSA-N 1 1 315.509 3.417 10 30 DGEEMO C=CCN1C(=S)SC(C)(C)[C@@H]1/[N+](O)=C/c1cccs1 ZINC000138116908 400596670 /nfs/dbraw/zinc/59/66/70/400596670.db2.gz IIEYGHIPMKZZBG-GPILYODUSA-N 1 1 313.493 3.193 10 30 DGEEMO C=CCC1(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)CCCCC1 ZINC000614105538 400838462 /nfs/dbraw/zinc/83/84/62/400838462.db2.gz LLFFWWWKZZLUFL-CVEARBPZSA-N 1 1 308.441 3.158 10 30 DGEEMO C=CCC1(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)CCCCC1 ZINC000614105539 400838528 /nfs/dbraw/zinc/83/85/28/400838528.db2.gz LLFFWWWKZZLUFL-HOTGVXAUSA-N 1 1 308.441 3.158 10 30 DGEEMO C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000633433302 400950017 /nfs/dbraw/zinc/95/00/17/400950017.db2.gz GAEYXAHBPMDINS-FGTMMUONSA-N 1 1 300.446 3.020 10 30 DGEEMO CC(C)[N@H+]1CCc2nc(/C=C\c3ccc(C#N)cn3)sc2C1 ZINC000606441643 400913418 /nfs/dbraw/zinc/91/34/18/400913418.db2.gz HPCDCRBSRVOTSO-WAYWQWQTSA-N 1 1 310.426 3.347 10 30 DGEEMO C=CCOc1ccccc1C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000593875522 400918111 /nfs/dbraw/zinc/91/81/11/400918111.db2.gz MWFWLBZTZWAOPR-IYBDPMFKSA-N 1 1 316.445 3.244 10 30 DGEEMO C[C@@]1(/[N+](O)=C/c2ccccc2C(F)(F)F)CCCCC1=O ZINC000225400776 400956488 /nfs/dbraw/zinc/95/64/88/400956488.db2.gz OWZQUHOZRLQLPZ-SAGYFLTASA-N 1 1 300.300 3.428 10 30 DGEEMO C#C[C@@H]([NH2+]C)c1ccc(Br)cc1Br ZINC000234448727 400974573 /nfs/dbraw/zinc/97/45/73/400974573.db2.gz MEKFMBRYTMHIMS-SNVBAGLBSA-N 1 1 302.997 3.105 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)c2cc(C)n([C@H](C)COC)c2C)C1 ZINC000625702891 401185580 /nfs/dbraw/zinc/18/55/80/401185580.db2.gz JNPWPNVEOKRJFY-WBVHZDCISA-N 1 1 318.461 3.393 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)N2CCc3sccc3[C@@H]2CC)C1 ZINC000625702843 401185772 /nfs/dbraw/zinc/18/57/72/401185772.db2.gz JFJBWWNFESBKGU-ZBFHGGJFSA-N 1 1 318.486 3.482 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C1 ZINC000625703357 401188061 /nfs/dbraw/zinc/18/80/61/401188061.db2.gz KBBUKYQZBOTELV-LLVKDONJSA-N 1 1 315.442 3.284 10 30 DGEEMO C=CC[C@@H]1CC[N@@H+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C1 ZINC000625703357 401188068 /nfs/dbraw/zinc/18/80/68/401188068.db2.gz KBBUKYQZBOTELV-LLVKDONJSA-N 1 1 315.442 3.284 10 30 DGEEMO C=C1CC(C)(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000630497772 401278673 /nfs/dbraw/zinc/27/86/73/401278673.db2.gz PFQLPZGGMVQHEO-HNNXBMFYSA-N 1 1 306.837 3.415 10 30 DGEEMO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000630860744 401343707 /nfs/dbraw/zinc/34/37/07/401343707.db2.gz PIQKVDVAHJYODP-HNNXBMFYSA-N 1 1 318.486 3.433 10 30 DGEEMO C=C1CC(C)(C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)C1 ZINC000631595524 401509260 /nfs/dbraw/zinc/50/92/60/401509260.db2.gz BUKXUNWIIOGXIZ-KRWDZBQOSA-N 1 1 312.457 3.466 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000623494154 401531954 /nfs/dbraw/zinc/53/19/54/401531954.db2.gz DMNAVERQGGIQIB-HOTGVXAUSA-N 1 1 307.482 3.105 10 30 DGEEMO C=CCOc1c(Cl)cc(C[N@H+]2CCC3(COC3)C2)cc1OC ZINC000628351484 401581666 /nfs/dbraw/zinc/58/16/66/401581666.db2.gz GPEDFXTYNNAGCL-UHFFFAOYSA-N 1 1 323.820 3.136 10 30 DGEEMO CCc1n[nH]c(C2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000190664493 165211485 /nfs/dbraw/zinc/21/14/85/165211485.db2.gz SGZAVDJZGPDBNI-ZDUSSCGKSA-N 1 1 309.417 3.179 10 30 DGEEMO CCc1nc(C2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000190664493 165211492 /nfs/dbraw/zinc/21/14/92/165211492.db2.gz SGZAVDJZGPDBNI-ZDUSSCGKSA-N 1 1 309.417 3.179 10 30 DGEEMO N#Cc1cccc(OCC[N@@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000171620711 432152123 /nfs/dbraw/zinc/15/21/23/432152123.db2.gz SGGLKECPCXPFOL-UHFFFAOYSA-N 1 1 317.392 3.477 10 30 DGEEMO N#Cc1cccc(OCC[N@H+]2CCc3[nH]c4ccccc4c3C2)c1 ZINC000171620711 432152127 /nfs/dbraw/zinc/15/21/27/432152127.db2.gz SGGLKECPCXPFOL-UHFFFAOYSA-N 1 1 317.392 3.477 10 30 DGEEMO N#CCCCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181285382 228360983 /nfs/dbraw/zinc/36/09/83/228360983.db2.gz PXTIBJHRDWXYHG-MRXNPFEDSA-N 1 1 309.417 3.345 10 30 DGEEMO N#Cc1cc(C[N@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)ccc1F ZINC000299753757 229398838 /nfs/dbraw/zinc/39/88/38/229398838.db2.gz ZFUIZGPHJOLNDX-MRXNPFEDSA-N 1 1 324.403 3.220 10 30 DGEEMO Cc1ccc(NC[C@@H](C)[N@H+]2CCc3sccc3C2)nc1C#N ZINC000302609493 230316853 /nfs/dbraw/zinc/31/68/53/230316853.db2.gz DTWVBVQGHSTYPE-CYBMUJFWSA-N 1 1 312.442 3.182 10 30 DGEEMO C=CCC[C@H](O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000247434647 432230264 /nfs/dbraw/zinc/23/02/64/432230264.db2.gz NYESCJCVKDUHJH-IXDOHACOSA-N 1 1 307.434 3.275 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182882978 432237980 /nfs/dbraw/zinc/23/79/80/432237980.db2.gz CDFRKFGOQVQCKB-JKSUJKDBSA-N 1 1 307.482 3.247 10 30 DGEEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)o1 ZINC000183071581 432255572 /nfs/dbraw/zinc/25/55/72/432255572.db2.gz NQQBKGNANPLXJP-LLVKDONJSA-N 1 1 317.414 3.427 10 30 DGEEMO C#CCOc1ccc(CN[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000113315798 431341845 /nfs/dbraw/zinc/34/18/45/431341845.db2.gz AGIHDCRFWHLDJQ-FQEVSTJZSA-N 1 1 308.425 3.091 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000121053946 431739689 /nfs/dbraw/zinc/73/96/89/431739689.db2.gz VDVJQKRTNLYSJX-UHFFFAOYSA-N 1 1 305.403 3.240 10 30 DGEEMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000121110511 431742667 /nfs/dbraw/zinc/74/26/67/431742667.db2.gz CTXKQACFZLZGDV-ZDUSSCGKSA-N 1 1 305.378 3.128 10 30 DGEEMO C=CCCC[N@@H+](C)Cc1nc(COc2ccc(F)cc2)no1 ZINC000121110003 431745558 /nfs/dbraw/zinc/74/55/58/431745558.db2.gz LYIFHPMYFCPJEV-UHFFFAOYSA-N 1 1 305.353 3.186 10 30 DGEEMO C=CCCC[N@H+](C)Cc1nc(COc2ccc(F)cc2)no1 ZINC000121110003 431745562 /nfs/dbraw/zinc/74/55/62/431745562.db2.gz LYIFHPMYFCPJEV-UHFFFAOYSA-N 1 1 305.353 3.186 10 30 DGEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2C)C1 ZINC000121164674 431747515 /nfs/dbraw/zinc/74/75/15/431747515.db2.gz FXUUDRMCUIENJU-MRXNPFEDSA-N 1 1 322.412 3.103 10 30 DGEEMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000093757813 431917089 /nfs/dbraw/zinc/91/70/89/431917089.db2.gz LPAKKSFBCURQFS-ZDUSSCGKSA-N 1 1 321.446 3.109 10 30 DGEEMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000093757813 431917091 /nfs/dbraw/zinc/91/70/91/431917091.db2.gz LPAKKSFBCURQFS-ZDUSSCGKSA-N 1 1 321.446 3.109 10 30 DGEEMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000093690984 431917366 /nfs/dbraw/zinc/91/73/66/431917366.db2.gz CDNHPFREVVLPPQ-KXBFYZLASA-N 1 1 323.396 3.026 10 30 DGEEMO CCN(C[C@H](C)C#N)C(=O)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000125855198 431937404 /nfs/dbraw/zinc/93/74/04/431937404.db2.gz WUJVJICCWJFKKS-OAHLLOKOSA-N 1 1 317.433 3.032 10 30 DGEEMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000125855198 431937407 /nfs/dbraw/zinc/93/74/07/431937407.db2.gz WUJVJICCWJFKKS-OAHLLOKOSA-N 1 1 317.433 3.032 10 30 DGEEMO N#Cc1ccc2[nH]c(C[NH+]3CCN(c4ccccc4)CC3)cc2c1 ZINC000053218685 431962357 /nfs/dbraw/zinc/96/23/57/431962357.db2.gz TWVIJESEEXGVPP-UHFFFAOYSA-N 1 1 316.408 3.362 10 30 DGEEMO COc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)c2nccn2C)cc1 ZINC000248864529 432325357 /nfs/dbraw/zinc/32/53/57/432325357.db2.gz PZSYSSUYHWACTH-KYJSFNMBSA-N 1 1 324.428 3.190 10 30 DGEEMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000248894205 432327687 /nfs/dbraw/zinc/32/76/87/432327687.db2.gz GIVGHZQFVRKYFY-JEBQAFNWSA-N 1 1 312.438 3.389 10 30 DGEEMO C#CCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000192195523 432344496 /nfs/dbraw/zinc/34/44/96/432344496.db2.gz DROYADBBXMNHKW-WBVHZDCISA-N 1 1 304.821 3.005 10 30 DGEEMO C#CCCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000192195523 432344499 /nfs/dbraw/zinc/34/44/99/432344499.db2.gz DROYADBBXMNHKW-WBVHZDCISA-N 1 1 304.821 3.005 10 30 DGEEMO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000174008039 432314436 /nfs/dbraw/zinc/31/44/36/432314436.db2.gz ZYEXPCWFJGZSNW-NEPJUHHUSA-N 1 1 305.809 3.271 10 30 DGEEMO C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000174008039 432314443 /nfs/dbraw/zinc/31/44/43/432314443.db2.gz ZYEXPCWFJGZSNW-NEPJUHHUSA-N 1 1 305.809 3.271 10 30 DGEEMO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000174008067 432314535 /nfs/dbraw/zinc/31/45/35/432314535.db2.gz ZYEXPCWFJGZSNW-VXGBXAGGSA-N 1 1 305.809 3.271 10 30 DGEEMO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000174008067 432314538 /nfs/dbraw/zinc/31/45/38/432314538.db2.gz ZYEXPCWFJGZSNW-VXGBXAGGSA-N 1 1 305.809 3.271 10 30 DGEEMO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NCc1ccc(C#N)o1 ZINC000184536638 432403393 /nfs/dbraw/zinc/40/33/93/432403393.db2.gz VVKSIHDHRBMDHY-LJQANCHMSA-N 1 1 311.429 3.397 10 30 DGEEMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NCc1ccc(C#N)o1 ZINC000184536638 432403394 /nfs/dbraw/zinc/40/33/94/432403394.db2.gz VVKSIHDHRBMDHY-LJQANCHMSA-N 1 1 311.429 3.397 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193197980 432458346 /nfs/dbraw/zinc/45/83/46/432458346.db2.gz OLOLXFAWBBCOGK-OLZOCXBDSA-N 1 1 306.372 3.074 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193197980 432458349 /nfs/dbraw/zinc/45/83/49/432458349.db2.gz OLOLXFAWBBCOGK-OLZOCXBDSA-N 1 1 306.372 3.074 10 30 DGEEMO CC(C)C[N@H+]1Cc2cccc(NC(=O)c3ccnc(C#N)c3)c2C1 ZINC000193619409 432484125 /nfs/dbraw/zinc/48/41/25/432484125.db2.gz BKEMBLLBWIPUIS-UHFFFAOYSA-N 1 1 320.396 3.177 10 30 DGEEMO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)o1 ZINC000193641218 432487032 /nfs/dbraw/zinc/48/70/32/432487032.db2.gz JBGJEEZZGYNEEL-NSHDSACASA-N 1 1 317.776 3.402 10 30 DGEEMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000186237330 432572906 /nfs/dbraw/zinc/57/29/06/432572906.db2.gz UIVQVXVYICSRKB-QGZVFWFLSA-N 1 1 306.413 3.196 10 30 DGEEMO Cc1nccn1C[C@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177372740 432617197 /nfs/dbraw/zinc/61/71/97/432617197.db2.gz ULFJKPDFUMEDCL-GOSISDBHSA-N 1 1 313.832 3.361 10 30 DGEEMO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C)CCN1CC(F)F ZINC000186315982 432581094 /nfs/dbraw/zinc/58/10/94/432581094.db2.gz ZPJCKMNLKBKMTI-MRXNPFEDSA-N 1 1 307.388 3.028 10 30 DGEEMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C)CCN1CC(F)F ZINC000186315982 432581097 /nfs/dbraw/zinc/58/10/97/432581097.db2.gz ZPJCKMNLKBKMTI-MRXNPFEDSA-N 1 1 307.388 3.028 10 30 DGEEMO CC[N@@H+](CCc1nccs1)Cc1cc(C#N)ccc1OC ZINC000159247344 432676342 /nfs/dbraw/zinc/67/63/42/432676342.db2.gz RRHLWDGBRBFCPL-UHFFFAOYSA-N 1 1 301.415 3.088 10 30 DGEEMO CC[C@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCN1CC(F)F ZINC000187706714 432678876 /nfs/dbraw/zinc/67/88/76/432678876.db2.gz SLWLPJJKOMWRQO-BBRMVZONSA-N 1 1 307.388 3.281 10 30 DGEEMO CC[C@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCN1CC(F)F ZINC000187706714 432678877 /nfs/dbraw/zinc/67/88/77/432678877.db2.gz SLWLPJJKOMWRQO-BBRMVZONSA-N 1 1 307.388 3.281 10 30 DGEEMO C#Cc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000245499873 432838109 /nfs/dbraw/zinc/83/81/09/432838109.db2.gz YZRZNQRSHCPDAT-MSOLQXFVSA-N 1 1 311.429 3.147 10 30 DGEEMO O[C@@]12CCCC[C@H]1C[N@@H+](CC#Cc1cccc(Cl)c1)CC2 ZINC000245980117 432873021 /nfs/dbraw/zinc/87/30/21/432873021.db2.gz YDGKDRVOZGEVNR-FUHWJXTLSA-N 1 1 303.833 3.319 10 30 DGEEMO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000245978536 432873160 /nfs/dbraw/zinc/87/31/60/432873160.db2.gz GPOTXNHQENVQQP-JKSUJKDBSA-N 1 1 313.426 3.275 10 30 DGEEMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000245978536 432873163 /nfs/dbraw/zinc/87/31/63/432873163.db2.gz GPOTXNHQENVQQP-JKSUJKDBSA-N 1 1 313.426 3.275 10 30 DGEEMO CC[N@H+]1CCC[C@H](NC(=O)C2CCC(NC(=O)C3CC3)CC2)C1 ZINC000329992081 432886319 /nfs/dbraw/zinc/88/63/19/432886319.db2.gz ALGBUOUCIAMAHO-GPANFISMSA-N 1 1 321.465 3.353 10 30 DGEEMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@](C)(CO)C1CCCCC1)C2 ZINC000330125838 432894495 /nfs/dbraw/zinc/89/44/95/432894495.db2.gz BTUCOCJHQNURLA-KBXCAEBGSA-N 1 1 319.449 3.042 10 30 DGEEMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000245568735 432846904 /nfs/dbraw/zinc/84/69/04/432846904.db2.gz VPMAEYIUDHOQNN-HOTGVXAUSA-N 1 1 301.434 3.238 10 30 DGEEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C#N)c2C)[C@@H](C)C1 ZINC000245677315 432855894 /nfs/dbraw/zinc/85/58/94/432855894.db2.gz IGTIPYLAYHPDJA-SUMWQHHRSA-N 1 1 314.433 3.061 10 30 DGEEMO N#Cc1ccc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)cc1 ZINC000341255670 433008038 /nfs/dbraw/zinc/00/80/38/433008038.db2.gz IZVMJBCTZXUUBM-UHFFFAOYSA-N 1 1 302.381 3.093 10 30 DGEEMO CC#CCCCC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425037514 433079407 /nfs/dbraw/zinc/07/94/07/433079407.db2.gz KOTQAVYVFZAMOZ-UHFFFAOYSA-N 1 1 319.474 3.432 10 30 DGEEMO C=CC(C)(C)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425046070 433084871 /nfs/dbraw/zinc/08/48/71/433084871.db2.gz TVMMBEPWEQKXTH-UHFFFAOYSA-N 1 1 307.463 3.450 10 30 DGEEMO CN(Cc1cccc(C#N)c1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336701135 433182060 /nfs/dbraw/zinc/18/20/60/433182060.db2.gz JVFJOWTZRYLMFG-IBGZPJMESA-N 1 1 323.415 3.404 10 30 DGEEMO N#Cc1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000374600426 433233512 /nfs/dbraw/zinc/23/35/12/433233512.db2.gz BOKGTZRASSCKHP-FFZOFVMBSA-N 1 1 321.424 3.151 10 30 DGEEMO C=C(C)C[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000374788417 433278798 /nfs/dbraw/zinc/27/87/98/433278798.db2.gz OIZUVUWNBIDCBC-INIZCTEOSA-N 1 1 324.428 3.418 10 30 DGEEMO C=CCCCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000448012513 433347006 /nfs/dbraw/zinc/34/70/06/433347006.db2.gz UANHPYYGZKXERS-UHFFFAOYSA-N 1 1 319.474 3.323 10 30 DGEEMO C=CCCCNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000447990468 433342321 /nfs/dbraw/zinc/34/23/21/433342321.db2.gz RUJGXQFEAJCSTC-RDJZCZTQSA-N 1 1 301.434 3.087 10 30 DGEEMO C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000425982952 433395855 /nfs/dbraw/zinc/39/58/55/433395855.db2.gz YVNMDYISZVDORE-KURKYZTESA-N 1 1 313.445 3.182 10 30 DGEEMO C=C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000425982951 433396084 /nfs/dbraw/zinc/39/60/84/433396084.db2.gz YVNMDYISZVDORE-FGTMMUONSA-N 1 1 313.445 3.182 10 30 DGEEMO C=CCCCNC(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000448391726 433404286 /nfs/dbraw/zinc/40/42/86/433404286.db2.gz UVLKTYVZRSMEPB-UHFFFAOYSA-N 1 1 321.509 3.496 10 30 DGEEMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375467721 433473389 /nfs/dbraw/zinc/47/33/89/433473389.db2.gz ZARUGNNKVSBKEZ-CQSZACIVSA-N 1 1 302.422 3.456 10 30 DGEEMO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)cc1C#N ZINC000374182785 293363386 /nfs/dbraw/zinc/36/33/86/293363386.db2.gz KOFRRBRWFMOCAJ-QGZVFWFLSA-N 1 1 310.401 3.028 10 30 DGEEMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)cc1C#N ZINC000374182785 293363389 /nfs/dbraw/zinc/36/33/89/293363389.db2.gz KOFRRBRWFMOCAJ-QGZVFWFLSA-N 1 1 310.401 3.028 10 30 DGEEMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000449934143 433878887 /nfs/dbraw/zinc/87/88/87/433878887.db2.gz HTFGHAYTANVPFS-UKRRQHHQSA-N 1 1 306.475 3.459 10 30 DGEEMO C=CC[C@H](CC)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000346178564 434173918 /nfs/dbraw/zinc/17/39/18/434173918.db2.gz QINSWFLEOJZXFQ-BBWFWOEESA-N 1 1 301.434 3.086 10 30 DGEEMO C[C@H](CNC(=O)C[C@H]1CCCCC(=O)N1)[N@H+]1CCC[C@@H](C)C1 ZINC000328643159 434291639 /nfs/dbraw/zinc/29/16/39/434291639.db2.gz GFDAZTXVMANUOE-RBSFLKMASA-N 1 1 309.454 3.353 10 30 DGEEMO CC(=O)Nc1ccn([C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)n1 ZINC000328626330 434293454 /nfs/dbraw/zinc/29/34/54/434293454.db2.gz LOIVVNFFBNJPHB-ZDUSSCGKSA-N 1 1 304.419 3.308 10 30 DGEEMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CCCCC(=O)N2)C1 ZINC000328675977 434295081 /nfs/dbraw/zinc/29/50/81/434295081.db2.gz RGRBRJGKVSJPPZ-HUUCEWRRSA-N 1 1 309.454 3.353 10 30 DGEEMO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000328680748 434297880 /nfs/dbraw/zinc/29/78/80/434297880.db2.gz CDOVMTCVKSTYKW-KGLIPLIRSA-N 1 1 318.446 3.127 10 30 DGEEMO C[C@H](C(=O)NCc1cccs1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328680748 434297887 /nfs/dbraw/zinc/29/78/87/434297887.db2.gz CDOVMTCVKSTYKW-KGLIPLIRSA-N 1 1 318.446 3.127 10 30 DGEEMO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cccn2)C1)c1cccs1 ZINC000328700677 434299864 /nfs/dbraw/zinc/29/98/64/434299864.db2.gz MWDHGCPIXCBOGA-UONOGXRCSA-N 1 1 318.446 3.299 10 30 DGEEMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](n2cccn2)C1)c1cccs1 ZINC000328700677 434299877 /nfs/dbraw/zinc/29/98/77/434299877.db2.gz MWDHGCPIXCBOGA-UONOGXRCSA-N 1 1 318.446 3.299 10 30 DGEEMO Cc1oc(C(C)C)nc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000329186273 434370274 /nfs/dbraw/zinc/37/02/74/434370274.db2.gz PULQGSQFMDZLRG-AGUYFDCRSA-N 1 1 305.422 3.426 10 30 DGEEMO C[C@@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1ccc(C#N)cc1F ZINC000358594776 434400091 /nfs/dbraw/zinc/40/00/91/434400091.db2.gz UDUVMJORIXSOAO-LSDHHAIUSA-N 1 1 303.425 3.468 10 30 DGEEMO C#CCC1(C(=O)N2CCC(n3c[nH+]cc3C)CC2)CCCCC1 ZINC000366402346 434407047 /nfs/dbraw/zinc/40/70/47/434407047.db2.gz UIYKDUDYHJNXQX-UHFFFAOYSA-N 1 1 313.445 3.329 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1OC ZINC000438373241 434473929 /nfs/dbraw/zinc/47/39/29/434473929.db2.gz JFPLIJSCLPZURD-SOUVJXGZSA-N 1 1 305.418 3.258 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1OC ZINC000438373241 434473941 /nfs/dbraw/zinc/47/39/41/434473941.db2.gz JFPLIJSCLPZURD-SOUVJXGZSA-N 1 1 305.418 3.258 10 30 DGEEMO CC#CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000370423819 434613692 /nfs/dbraw/zinc/61/36/92/434613692.db2.gz VZDBJNHEGJVEGW-UXHICEINSA-N 1 1 324.468 3.446 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000574030554 434943676 /nfs/dbraw/zinc/94/36/76/434943676.db2.gz ZQDBMLRRMMEBHS-KRWDZBQOSA-N 1 1 300.446 3.058 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000575896296 435053326 /nfs/dbraw/zinc/05/33/26/435053326.db2.gz JFJYOTCEGZIDPE-WMZOPIPTSA-N 1 1 315.461 3.257 10 30 DGEEMO C=CCCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000466782253 435092271 /nfs/dbraw/zinc/09/22/71/435092271.db2.gz JGKSDYHHUVZFMF-HZPDHXFCSA-N 1 1 321.852 3.303 10 30 DGEEMO C=CCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000466782253 435092275 /nfs/dbraw/zinc/09/22/75/435092275.db2.gz JGKSDYHHUVZFMF-HZPDHXFCSA-N 1 1 321.852 3.303 10 30 DGEEMO C=CCOc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000565117625 435277120 /nfs/dbraw/zinc/27/71/20/435277120.db2.gz VRRYFWRTFHAEDN-IEBWSBKVSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCOc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000565117625 435277125 /nfs/dbraw/zinc/27/71/25/435277125.db2.gz VRRYFWRTFHAEDN-IEBWSBKVSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000535806059 435354794 /nfs/dbraw/zinc/35/47/94/435354794.db2.gz CDAQGQXKMGQDMG-WMZOPIPTSA-N 1 1 301.430 3.500 10 30 DGEEMO C=C(C)COc1cc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)ccc1OC ZINC000517436296 435595007 /nfs/dbraw/zinc/59/50/07/435595007.db2.gz QXKVIHFIWWFZOA-IYBDPMFKSA-N 1 1 305.418 3.259 10 30 DGEEMO C=CCCC[N@@H+](C)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000541173003 435641586 /nfs/dbraw/zinc/64/15/86/435641586.db2.gz KLRIGCDOGHFOHJ-UHFFFAOYSA-N 1 1 308.788 3.458 10 30 DGEEMO C=CCCC[N@H+](C)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000541173003 435641591 /nfs/dbraw/zinc/64/15/91/435641591.db2.gz KLRIGCDOGHFOHJ-UHFFFAOYSA-N 1 1 308.788 3.458 10 30 DGEEMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000489447080 435648496 /nfs/dbraw/zinc/64/84/96/435648496.db2.gz JOOKRWSRJCLJQS-YMVOSSCXSA-N 1 1 302.462 3.112 10 30 DGEEMO C=C[C@@H]1CCCC[N@H+]1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000489447080 435648500 /nfs/dbraw/zinc/64/85/00/435648500.db2.gz JOOKRWSRJCLJQS-YMVOSSCXSA-N 1 1 302.462 3.112 10 30 DGEEMO N#Cc1ccc2ncc(C[N@@H+](C[C@@H]3CCCO3)C3CCCC3)n2c1 ZINC000093665872 303201725 /nfs/dbraw/zinc/20/17/25/303201725.db2.gz ARAONUKHTYIONE-SFHVURJKSA-N 1 1 324.428 3.130 10 30 DGEEMO COc1ccc(C[N@@H+](Cc2ccccc2)CC(C)(C)O)cc1C#N ZINC000181146047 323247455 /nfs/dbraw/zinc/24/74/55/323247455.db2.gz ABPWHUOLAQVUMC-UHFFFAOYSA-N 1 1 324.424 3.340 10 30 DGEEMO C=CCOc1ccccc1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000131819233 332036836 /nfs/dbraw/zinc/03/68/36/332036836.db2.gz FWFOODDIGQVBEX-AYHJJNSGSA-N 1 1 300.446 3.356 10 30 DGEEMO C=CCOc1ccccc1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000131819233 332036838 /nfs/dbraw/zinc/03/68/38/332036838.db2.gz FWFOODDIGQVBEX-AYHJJNSGSA-N 1 1 300.446 3.356 10 30 DGEEMO C=CCCCC[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000580282401 333056820 /nfs/dbraw/zinc/05/68/20/333056820.db2.gz NCCSYKJFEGDJEB-MRXNPFEDSA-N 1 1 301.434 3.397 10 30 DGEEMO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH+]1CCN(CC#N)CC1 ZINC000518836531 335393742 /nfs/dbraw/zinc/39/37/42/335393742.db2.gz FKYCKZWWYUKFGK-SDNWHVSQSA-N 1 1 323.362 3.250 10 30 DGEEMO N#Cc1cccc(-c2c[nH]c3[nH+]ccc(N4CCC(O)CC4)c23)c1 ZINC000584598773 337370538 /nfs/dbraw/zinc/37/05/38/337370538.db2.gz JFRRQNXJDOYCFB-UHFFFAOYSA-N 1 1 318.380 3.063 10 30 DGEEMO COC[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000537175309 337907216 /nfs/dbraw/zinc/90/72/16/337907216.db2.gz CJZYJUFZPLVABM-SFHVURJKSA-N 1 1 301.336 3.294 10 30 DGEEMO C=CCN(Cc1cccs1)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000545858670 341143456 /nfs/dbraw/zinc/14/34/56/341143456.db2.gz JSKPZQBLQGCJAI-UHFFFAOYSA-N 1 1 319.474 3.098 10 30 DGEEMO C=CC[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000134251675 341210981 /nfs/dbraw/zinc/21/09/81/341210981.db2.gz FCALLUCPUZILIX-VBNZEHGJSA-N 1 1 321.852 3.349 10 30 DGEEMO C=CC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000134251675 341210982 /nfs/dbraw/zinc/21/09/82/341210982.db2.gz FCALLUCPUZILIX-VBNZEHGJSA-N 1 1 321.852 3.349 10 30 DGEEMO CO[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC[C@@H]1C ZINC000249139897 341394578 /nfs/dbraw/zinc/39/45/78/341394578.db2.gz FKVVQQZIZVADNC-MAUKXSAKSA-N 1 1 302.418 3.226 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249328766 341396502 /nfs/dbraw/zinc/39/65/02/341396502.db2.gz OLOLXFAWBBCOGK-CHWSQXEVSA-N 1 1 306.372 3.074 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249328766 341396501 /nfs/dbraw/zinc/39/65/01/341396501.db2.gz OLOLXFAWBBCOGK-CHWSQXEVSA-N 1 1 306.372 3.074 10 30 DGEEMO C#CCOC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1C ZINC000036104455 518312186 /nfs/dbraw/zinc/31/21/86/518312186.db2.gz KAUKFOFVAXKEBC-OAQYLSRUSA-N 1 1 323.436 3.008 10 30 DGEEMO C=CCC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CCCC1 ZINC000459051502 534598480 /nfs/dbraw/zinc/59/84/80/534598480.db2.gz ORUNUPQCYWAUMY-MRXNPFEDSA-N 1 1 305.466 3.001 10 30 DGEEMO CC#CCC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000360485321 526308537 /nfs/dbraw/zinc/30/85/37/526308537.db2.gz BRILJHVQVVSASZ-YLJYHZDGSA-N 1 1 313.489 3.336 10 30 DGEEMO C=CC[N@H+](CCc1ccco1)Cc1cnc2nc(C)cc(C)n12 ZINC000352929710 526327623 /nfs/dbraw/zinc/32/76/23/526327623.db2.gz HYFQYCLJWUIMMZ-UHFFFAOYSA-N 1 1 310.401 3.170 10 30 DGEEMO C=C(C)CN(C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183258731 526489888 /nfs/dbraw/zinc/48/98/88/526489888.db2.gz YJIUYPJICWZISV-AWEZNQCLSA-N 1 1 312.417 3.459 10 30 DGEEMO C#CCCCCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000363725050 526690532 /nfs/dbraw/zinc/69/05/32/526690532.db2.gz PEJYYXYGURXRJL-HSALFYBXSA-N 1 1 324.468 3.207 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193771699 526699084 /nfs/dbraw/zinc/69/90/84/526699084.db2.gz LQMFQEDZAQRMNA-SJLPKXTDSA-N 1 1 300.446 3.227 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000185590437 526713600 /nfs/dbraw/zinc/71/36/00/526713600.db2.gz VTVNPHWGFHOGTG-BQFCYCMXSA-N 1 1 315.461 3.011 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](C)CCC(=O)OC(C)(C)C)cc1 ZINC000351604851 526862305 /nfs/dbraw/zinc/86/23/05/526862305.db2.gz XSNWZVDFNCRITB-UHFFFAOYSA-N 1 1 305.418 3.415 10 30 DGEEMO C=CCOc1cccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c1 ZINC000180813729 526899705 /nfs/dbraw/zinc/89/97/05/526899705.db2.gz YWPVOUANRPSJRJ-QXAKKESOSA-N 1 1 317.429 3.020 10 30 DGEEMO C=C1CC[NH+]([C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000341999072 526908325 /nfs/dbraw/zinc/90/83/25/526908325.db2.gz WSRWUNGHWQPAIY-KRWDZBQOSA-N 1 1 300.446 3.464 10 30 DGEEMO C=CC[C@H](CC)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000346178567 527157324 /nfs/dbraw/zinc/15/73/24/527157324.db2.gz QINSWFLEOJZXFQ-GVDBMIGSSA-N 1 1 301.434 3.086 10 30 DGEEMO C=CC[C@H](CO)[NH2+]Cc1csc(COc2ccc(C)cc2)n1 ZINC000184282171 527209590 /nfs/dbraw/zinc/20/95/90/527209590.db2.gz XFFCEAMRDIBFKU-CQSZACIVSA-N 1 1 318.442 3.057 10 30 DGEEMO C=CCCCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000448380992 527218008 /nfs/dbraw/zinc/21/80/08/527218008.db2.gz IFFIRVOWPGGCJG-IAGOWNOFSA-N 1 1 307.482 3.249 10 30 DGEEMO C=CCCCNC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000447965555 527220310 /nfs/dbraw/zinc/22/03/10/527220310.db2.gz PQPZDBFTLSPVDI-MRXNPFEDSA-N 1 1 303.450 3.162 10 30 DGEEMO C=CCCN(C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000342371652 527312242 /nfs/dbraw/zinc/31/22/42/527312242.db2.gz FYEAXXKXYOJZRI-CQSZACIVSA-N 1 1 312.417 3.459 10 30 DGEEMO C=CC[N@@H+](CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)C1CC1 ZINC000357550888 527582098 /nfs/dbraw/zinc/58/20/98/527582098.db2.gz HSWWEWWYTSVBBO-INIZCTEOSA-N 1 1 312.457 3.464 10 30 DGEEMO C=CC[N@H+](CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)C1CC1 ZINC000357550888 527582104 /nfs/dbraw/zinc/58/21/04/527582104.db2.gz HSWWEWWYTSVBBO-INIZCTEOSA-N 1 1 312.457 3.464 10 30 DGEEMO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000076903578 528354934 /nfs/dbraw/zinc/35/49/34/528354934.db2.gz BBMLZAZZRCYSKT-CYBMUJFWSA-N 1 1 307.825 3.095 10 30 DGEEMO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000076903578 528354940 /nfs/dbraw/zinc/35/49/40/528354940.db2.gz BBMLZAZZRCYSKT-CYBMUJFWSA-N 1 1 307.825 3.095 10 30 DGEEMO C=CCOc1ccccc1C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000093863990 545859855 /nfs/dbraw/zinc/85/98/55/545859855.db2.gz GIRQUNGFZYVGFR-KRWDZBQOSA-N 1 1 311.429 3.494 10 30 DGEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000328921761 546482014 /nfs/dbraw/zinc/48/20/14/546482014.db2.gz BRAGGGGURCRAOP-BZZMCLGOSA-N 1 1 311.429 3.403 10 30 DGEEMO Cc1cc2c[nH]nc2c(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000329179134 546483335 /nfs/dbraw/zinc/48/33/35/546483335.db2.gz NUNLDYPTCZNCCF-CQSZACIVSA-N 1 1 312.417 3.193 10 30 DGEEMO Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000329176434 546483522 /nfs/dbraw/zinc/48/35/22/546483522.db2.gz MVMWENYODQOULV-WFASDCNBSA-N 1 1 318.465 3.114 10 30 DGEEMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000585159406 547025959 /nfs/dbraw/zinc/02/59/59/547025959.db2.gz NZKJOEAYACKSDF-YDVWWWKISA-N 1 1 323.440 3.253 10 30 DGEEMO C=CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccc(OC)cc1 ZINC000733897599 574642052 /nfs/dbraw/zinc/64/20/52/574642052.db2.gz KBTALOJFCFHREW-UHFFFAOYSA-N 1 1 320.433 3.208 10 30 DGEEMO C=CCCC[N@@H+](C)Cn1cc(C)n(-c2ccc(Cl)cc2)c1=O ZINC000736582084 574759587 /nfs/dbraw/zinc/75/95/87/574759587.db2.gz HNEWPHMATFMBCO-UHFFFAOYSA-N 1 1 319.836 3.456 10 30 DGEEMO C=CCCC[N@H+](C)Cn1cc(C)n(-c2ccc(Cl)cc2)c1=O ZINC000736582084 574759590 /nfs/dbraw/zinc/75/95/90/574759590.db2.gz HNEWPHMATFMBCO-UHFFFAOYSA-N 1 1 319.836 3.456 10 30 DGEEMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CCSc1ccc(C)cc1 ZINC000729808471 575263474 /nfs/dbraw/zinc/26/34/74/575263474.db2.gz CDFUJONJUWVRKM-MRXNPFEDSA-N 1 1 317.454 3.118 10 30 DGEEMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(CSCC)cc1 ZINC000729812157 575263791 /nfs/dbraw/zinc/26/37/91/575263791.db2.gz NLVRTNCGFFKQLT-KRWDZBQOSA-N 1 1 317.454 3.194 10 30 DGEEMO C#CCCOc1ccc(CNCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000113322177 620904636 /nfs/dbraw/zinc/90/46/36/620904636.db2.gz XPPTWTPICBFXJK-KRWDZBQOSA-N 1 1 300.446 3.053 10 30 DGEEMO C#CCCOc1ccc(CNCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000113322177 620904638 /nfs/dbraw/zinc/90/46/38/620904638.db2.gz XPPTWTPICBFXJK-KRWDZBQOSA-N 1 1 300.446 3.053 10 30 DGEEMO COc1ccc(O)c(/C=N/[C@@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000183390895 660109938 /nfs/dbraw/zinc/10/99/38/660109938.db2.gz XEJZSHPIIZAPHQ-SLDJAQPHSA-N 1 1 312.413 3.340 10 30 DGEEMO COc1ccccc1OCC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000091900245 662324390 /nfs/dbraw/zinc/32/43/90/662324390.db2.gz HBRAFWLPNFKDAT-UHFFFAOYSA-N 1 1 302.399 3.139 10 30 DGEEMO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000092594302 662332954 /nfs/dbraw/zinc/33/29/54/662332954.db2.gz XTYCWQIWTVHCCL-QGZVFWFLSA-N 1 1 313.422 3.334 10 30 DGEEMO C#CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000092594302 662332956 /nfs/dbraw/zinc/33/29/56/662332956.db2.gz XTYCWQIWTVHCCL-QGZVFWFLSA-N 1 1 313.422 3.334 10 30 DGEEMO Cc1nc(C#N)cc(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000308274833 1199702880 /nfs/dbraw/zinc/70/28/80/1199702880.db2.gz UXNPGEXMJYFWCS-SFHVURJKSA-N 1 1 321.428 3.123 10 30 DGEEMO N#Cc1ccc(Br)cc1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000123180125 1200275864 /nfs/dbraw/zinc/27/58/64/1200275864.db2.gz OOVJOXIUQJOSHZ-DZGCQCFKSA-N 1 1 320.234 3.359 10 30 DGEEMO N#Cc1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c(F)c1Br ZINC000231845519 1202600300 /nfs/dbraw/zinc/60/03/00/1202600300.db2.gz MWQIJYZVXVUWPT-SNVBAGLBSA-N 1 1 324.197 3.108 10 30 DGEEMO C[C@@H]1C[C@@H](Nc2cc(Br)ccc2C#N)C[N@H+]1C1CC1 ZINC000235440067 1202604505 /nfs/dbraw/zinc/60/45/05/1202604505.db2.gz DPTREDQAMXMOSI-ZWNOBZJWSA-N 1 1 320.234 3.358 10 30 DGEEMO C=CCOc1ccc(CNCC[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000237170173 1202653117 /nfs/dbraw/zinc/65/31/17/1202653117.db2.gz OKLZCIVGTGWGGG-INIZCTEOSA-N 1 1 318.461 3.082 10 30 DGEEMO C=CCOc1ccc(CNCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000237170173 1202653118 /nfs/dbraw/zinc/65/31/18/1202653118.db2.gz OKLZCIVGTGWGGG-INIZCTEOSA-N 1 1 318.461 3.082 10 30 DGEEMO C[C@@H](Cc1ccsc1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000246068399 1203707740 /nfs/dbraw/zinc/70/77/40/1203707740.db2.gz RVWICCHRAKLVOK-SUMWQHHRSA-N 1 1 300.427 3.216 10 30 DGEEMO C#Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000174786616 1203910497 /nfs/dbraw/zinc/91/04/97/1203910497.db2.gz QSWGFEJROHMWTM-GOSISDBHSA-N 1 1 311.429 3.054 10 30 DGEEMO C[N@H+]1CCN(c2ccc(C#N)c(Br)c2)CCC1(C)C ZINC000712627007 1085768678 /nfs/dbraw/zinc/76/86/78/1085768678.db2.gz KVBWXAVOCWZHBJ-UHFFFAOYSA-N 1 1 322.250 3.241 10 30 DGEEMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccnc(C#N)c1 ZINC000719883561 1105032320 /nfs/dbraw/zinc/03/23/20/1105032320.db2.gz NGMCGORQGHJTKI-FQEVSTJZSA-N 1 1 320.440 3.444 10 30 DGEEMO N#Cc1ccncc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000310201941 231113470 /nfs/dbraw/zinc/11/34/70/231113470.db2.gz BXUQQBOIYXIRSM-GUDVDZBRSA-N 1 1 318.424 3.276 10 30 DGEEMO N#Cc1ccncc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000310201940 231113581 /nfs/dbraw/zinc/11/35/81/231113581.db2.gz BXUQQBOIYXIRSM-GBESFXJTSA-N 1 1 318.424 3.276 10 30 DGEEMO C[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(F)c(F)c1 ZINC000130455786 432025954 /nfs/dbraw/zinc/02/59/54/432025954.db2.gz LGFWDAWUFUKJKM-UHFFFAOYSA-N 1 1 312.323 3.116 10 30 DGEEMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(F)c(F)c1 ZINC000130455786 432025956 /nfs/dbraw/zinc/02/59/56/432025956.db2.gz LGFWDAWUFUKJKM-UHFFFAOYSA-N 1 1 312.323 3.116 10 30 DGEEMO C=CCC[C@@H](C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1nccc(C)n1 ZINC000072468074 191175258 /nfs/dbraw/zinc/17/52/58/191175258.db2.gz QBEKYGUIFFHYPU-KSZLIROESA-N 1 1 313.445 3.397 10 30 DGEEMO C#CCCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000174599106 198357229 /nfs/dbraw/zinc/35/72/29/198357229.db2.gz HHEBVBJHNHPLDW-YQQQUEKLSA-N 1 1 312.457 3.194 10 30 DGEEMO C#CCCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC000174599106 198357231 /nfs/dbraw/zinc/35/72/31/198357231.db2.gz HHEBVBJHNHPLDW-YQQQUEKLSA-N 1 1 312.457 3.194 10 30 DGEEMO C#CCCOc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000174599106 198357232 /nfs/dbraw/zinc/35/72/32/198357232.db2.gz HHEBVBJHNHPLDW-YQQQUEKLSA-N 1 1 312.457 3.194 10 30 DGEEMO C#CCCOc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000174599106 198357234 /nfs/dbraw/zinc/35/72/34/198357234.db2.gz HHEBVBJHNHPLDW-YQQQUEKLSA-N 1 1 312.457 3.194 10 30 DGEEMO C[NH+]1CCC(NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000091412138 193053159 /nfs/dbraw/zinc/05/31/59/193053159.db2.gz LZDRGQUDHRHMPO-UHFFFAOYSA-N 1 1 305.425 3.409 10 30 DGEEMO Cn1cc([C@H]2CC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)cn1 ZINC000135236155 432107449 /nfs/dbraw/zinc/10/74/49/432107449.db2.gz FQCPTTLGLQWSIB-HNNXBMFYSA-N 1 1 308.429 3.211 10 30 DGEEMO CN(Cc1ccc(C#N)o1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000091932316 193128856 /nfs/dbraw/zinc/12/88/56/193128856.db2.gz BUUFMSUFFWCSNE-KRWDZBQOSA-N 1 1 309.413 3.248 10 30 DGEEMO CN(Cc1ccc(C#N)o1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000091932314 193129219 /nfs/dbraw/zinc/12/92/19/193129219.db2.gz BUUFMSUFFWCSNE-QGZVFWFLSA-N 1 1 309.413 3.248 10 30 DGEEMO C=CC[N@@H+](CC[C@H]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000246243322 432112420 /nfs/dbraw/zinc/11/24/20/432112420.db2.gz OHOFZSWVADRIST-LTIDMASMSA-N 1 1 313.507 3.124 10 30 DGEEMO C=CC[N@H+](CC[C@H]1C[C@H](C)C[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000246243322 432112422 /nfs/dbraw/zinc/11/24/22/432112422.db2.gz OHOFZSWVADRIST-LTIDMASMSA-N 1 1 313.507 3.124 10 30 DGEEMO CN(Cc1ccc(C#N)o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336834 193232763 /nfs/dbraw/zinc/23/27/63/193232763.db2.gz CMIGESPBAGJBTC-KRWDZBQOSA-N 1 1 309.413 3.105 10 30 DGEEMO CCSCC[C@H](C)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000093870925 193320515 /nfs/dbraw/zinc/32/05/15/193320515.db2.gz QLSXSYOLFLXGNC-ZDUSSCGKSA-N 1 1 302.447 3.169 10 30 DGEEMO Cc1cnn([C@H]2CCC[N@@H+](CCCOc3ccc(C#N)cc3)C2)c1 ZINC000171530100 432141523 /nfs/dbraw/zinc/14/15/23/432141523.db2.gz WGAVALAXJXICIG-SFHVURJKSA-N 1 1 324.428 3.169 10 30 DGEEMO [NH2+]=C1NC(=Nc2cccc(Br)c2)c2ccccc21 ZINC000040802665 183136138 /nfs/dbraw/zinc/13/61/38/183136138.db2.gz ZCBQTSTUXVLDSW-UHFFFAOYSA-N 1 1 300.159 3.246 10 30 DGEEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000105897140 194161683 /nfs/dbraw/zinc/16/16/83/194161683.db2.gz WTUSABCCTOHNHI-INIZCTEOSA-N 1 1 312.392 3.293 10 30 DGEEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000120161812 195109272 /nfs/dbraw/zinc/10/92/72/195109272.db2.gz UBCRSGMZIMAKEI-QGZVFWFLSA-N 1 1 312.392 3.385 10 30 DGEEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000120161812 195109274 /nfs/dbraw/zinc/10/92/74/195109274.db2.gz UBCRSGMZIMAKEI-QGZVFWFLSA-N 1 1 312.392 3.385 10 30 DGEEMO Cc1cnc(CC[N@H+](C)Cc2cn3ccccc3c2C#N)s1 ZINC000157524217 197193927 /nfs/dbraw/zinc/19/39/27/197193927.db2.gz HXIQNUNTTWTWBI-UHFFFAOYSA-N 1 1 310.426 3.250 10 30 DGEEMO C[C@@H](C#N)Oc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC000174599157 533162311 /nfs/dbraw/zinc/16/23/11/533162311.db2.gz BEGASRGUWNFSEB-MIGBEJBISA-N 1 1 313.445 3.082 10 30 DGEEMO C[C@@H](C#N)Oc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000174599157 533162319 /nfs/dbraw/zinc/16/23/19/533162319.db2.gz BEGASRGUWNFSEB-MIGBEJBISA-N 1 1 313.445 3.082 10 30 DGEEMO C[C@@H](C#N)Oc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000174599157 533162326 /nfs/dbraw/zinc/16/23/26/533162326.db2.gz BEGASRGUWNFSEB-MIGBEJBISA-N 1 1 313.445 3.082 10 30 DGEEMO C=CCOC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccc(OC)cc2)O1 ZINC000247876646 257114908 /nfs/dbraw/zinc/11/49/08/257114908.db2.gz HDCBIOYQFFXWCH-FHWLQOOXSA-N 1 1 317.429 3.020 10 30 DGEEMO C=CCOC[C@@H]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2ccc(F)cc2)O1 ZINC000503719102 257208408 /nfs/dbraw/zinc/20/84/08/257208408.db2.gz XVNCDTMQCTXAGO-KSZLIROESA-N 1 1 305.393 3.150 10 30 DGEEMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000609625800 400182367 /nfs/dbraw/zinc/18/23/67/400182367.db2.gz CIIIUAOFQLZEEJ-BHIYHBOVSA-N 1 1 317.477 3.252 10 30 DGEEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H]1c1cccc(C#N)c1 ZINC000616633625 400189096 /nfs/dbraw/zinc/18/90/96/400189096.db2.gz OOJYRBZMNDTKIP-MRXNPFEDSA-N 1 1 315.417 3.220 10 30 DGEEMO N#Cc1ncccc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000310258776 400133683 /nfs/dbraw/zinc/13/36/83/400133683.db2.gz PYWJMASMGWODBF-OKZBNKHCSA-N 1 1 318.424 3.276 10 30 DGEEMO C=CCOc1ccccc1CN1CC[C@H](C[N@H+](C)CCC)C1 ZINC000093742176 400253742 /nfs/dbraw/zinc/25/37/42/400253742.db2.gz QNDPUSDPMDGKOP-QGZVFWFLSA-N 1 1 302.462 3.415 10 30 DGEEMO Cn1cc[nH+]c1C[C@H](Nc1ccc(C#N)nc1)c1ccccc1 ZINC000610541753 400273045 /nfs/dbraw/zinc/27/30/45/400273045.db2.gz NRBRGJBFXMCZKH-KRWDZBQOSA-N 1 1 303.369 3.083 10 30 DGEEMO C=C(C)COc1cccc(NC(=O)[C@H]2CCC[N@@H+]2CCC)c1 ZINC000589551562 400305496 /nfs/dbraw/zinc/30/54/96/400305496.db2.gz JJQBNZNVKKDEPF-QGZVFWFLSA-N 1 1 302.418 3.454 10 30 DGEEMO C#C[C@@H]([NH2+]C)c1cc(Br)ccc1Br ZINC000130329250 400536806 /nfs/dbraw/zinc/53/68/06/400536806.db2.gz NVUOHBOAUQFSQZ-SNVBAGLBSA-N 1 1 302.997 3.105 10 30 DGEEMO C=C(C)C[C@H]([NH2+][C@@H]1CCC[C@H](c2cccnc2)C1)C(=O)OC ZINC000602735318 400557934 /nfs/dbraw/zinc/55/79/34/400557934.db2.gz UTYXXOWWROHXDH-UAGQMJEPSA-N 1 1 302.418 3.205 10 30 DGEEMO C=C(C)C[C@H]([NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1)C(=O)OC ZINC000602735316 400558600 /nfs/dbraw/zinc/55/86/00/400558600.db2.gz UTYXXOWWROHXDH-OIISXLGYSA-N 1 1 302.418 3.205 10 30 DGEEMO C=CCCCN(C)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000076490993 400657720 /nfs/dbraw/zinc/65/77/20/400657720.db2.gz SHKILIDCVOMPTM-SFHVURJKSA-N 1 1 300.446 3.323 10 30 DGEEMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000076737918 400669194 /nfs/dbraw/zinc/66/91/94/400669194.db2.gz NKGORZINZAEXOF-LBPRGKRZSA-N 1 1 305.809 3.437 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C ZINC000605737484 400884281 /nfs/dbraw/zinc/88/42/81/400884281.db2.gz FPBZJZYIKAORBB-IBGZPJMESA-N 1 1 318.461 3.407 10 30 DGEEMO C=CC[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000624788555 400951939 /nfs/dbraw/zinc/95/19/39/400951939.db2.gz VSEJKLZFNMTTME-RDJZCZTQSA-N 1 1 305.466 3.001 10 30 DGEEMO CO[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC[C@@H]1C ZINC000188320083 400907974 /nfs/dbraw/zinc/90/79/74/400907974.db2.gz FKVVQQZIZVADNC-YJBOKZPZSA-N 1 1 302.418 3.226 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2ccc(O[C@@H](C)C(=O)OC)cc2)C1 ZINC000600186606 401213700 /nfs/dbraw/zinc/21/37/00/401213700.db2.gz RXURJNIYKHAJTN-LSDHHAIUSA-N 1 1 303.402 3.025 10 30 DGEEMO C=CC[C@@H]1CC[N@@H+](Cc2cc(Br)cnc2OC)C1 ZINC000625704697 401187662 /nfs/dbraw/zinc/18/76/62/401187662.db2.gz ZWUXMRDSTQABOY-LLVKDONJSA-N 1 1 311.223 3.251 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2cc(Br)cnc2OC)C1 ZINC000625704697 401187671 /nfs/dbraw/zinc/18/76/71/401187671.db2.gz ZWUXMRDSTQABOY-LLVKDONJSA-N 1 1 311.223 3.251 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000625703794 401187888 /nfs/dbraw/zinc/18/78/88/401187888.db2.gz PDNUGEXUBKSZDB-POAQFYNOSA-N 1 1 315.457 3.340 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000625705227 401188306 /nfs/dbraw/zinc/18/83/06/401188306.db2.gz SWPYXHUVCSVYGI-INIZCTEOSA-N 1 1 311.429 3.397 10 30 DGEEMO C=C(C)COCC[NH2+]Cc1ncc(Br)cc1Cl ZINC000631090387 401390075 /nfs/dbraw/zinc/39/00/75/401390075.db2.gz IHFCVEIOHHSSBB-UHFFFAOYSA-N 1 1 319.630 3.180 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000623466174 401524086 /nfs/dbraw/zinc/52/40/86/401524086.db2.gz UQLYUSINLWYAED-IRXDYDNUSA-N 1 1 307.482 3.249 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000628406342 401591825 /nfs/dbraw/zinc/59/18/25/401591825.db2.gz HXPKMEKOYIVVBT-DLBZAZTESA-N 1 1 300.446 3.310 10 30 DGEEMO C=CC[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000628405378 401592234 /nfs/dbraw/zinc/59/22/34/401592234.db2.gz KKMKXUAHWSXDRJ-CYBMUJFWSA-N 1 1 311.385 3.203 10 30 DGEEMO C=CCOc1c(Cl)cc(C[N@@H+](C)CCCCO)cc1OC ZINC000628249026 401559799 /nfs/dbraw/zinc/55/97/99/401559799.db2.gz MDSHRDKMJVUORE-UHFFFAOYSA-N 1 1 313.825 3.118 10 30 DGEEMO C=CC1CCN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC000623961243 401605460 /nfs/dbraw/zinc/60/54/60/401605460.db2.gz XRGPQOJFRHDNMG-UHFFFAOYSA-N 1 1 306.413 3.399 10 30 DGEEMO C=C[C@H](CC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC000628965190 401651122 /nfs/dbraw/zinc/65/11/22/401651122.db2.gz KOKIXOJGUYEKQG-APWZRJJASA-N 1 1 312.457 3.479 10 30 DGEEMO Cc1cc(C)c2c(c1)C[N@@H+](Cc1cnc3ccc(C#N)cn13)CC2 ZINC000188663340 165131911 /nfs/dbraw/zinc/13/19/11/165131911.db2.gz XBUOYGYNXPAIMU-UHFFFAOYSA-N 1 1 316.408 3.381 10 30 DGEEMO Cc1cc(C)c2c(c1)C[N@H+](Cc1cnc3ccc(C#N)cn13)CC2 ZINC000188663340 165131912 /nfs/dbraw/zinc/13/19/12/165131912.db2.gz XBUOYGYNXPAIMU-UHFFFAOYSA-N 1 1 316.408 3.381 10 30 DGEEMO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000190039137 165187400 /nfs/dbraw/zinc/18/74/00/165187400.db2.gz HPSZIUZJSAQEPH-CQSZACIVSA-N 1 1 321.428 3.042 10 30 DGEEMO C[N@H+](Cc1cccnc1)C[C@H]1CCN(c2cccc(F)c2C#N)C1 ZINC000190450892 432159187 /nfs/dbraw/zinc/15/91/87/432159187.db2.gz JTICCNFLDVEGPM-MRXNPFEDSA-N 1 1 324.403 3.051 10 30 DGEEMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000247024503 432192817 /nfs/dbraw/zinc/19/28/17/432192817.db2.gz YCXIPXNVGIWSPU-FGTMMUONSA-N 1 1 307.409 3.041 10 30 DGEEMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1cc(C#N)ccc1Br ZINC000191135431 432224866 /nfs/dbraw/zinc/22/48/66/432224866.db2.gz WYCGPFCRPFDNBP-GHMZBOCLSA-N 1 1 323.234 3.054 10 30 DGEEMO C[C@H](C#N)Oc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC000174599169 228292543 /nfs/dbraw/zinc/29/25/43/228292543.db2.gz BEGASRGUWNFSEB-CCNLRDMRSA-N 1 1 313.445 3.082 10 30 DGEEMO C[C@H](C#N)Oc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000174599169 228292544 /nfs/dbraw/zinc/29/25/44/228292544.db2.gz BEGASRGUWNFSEB-CCNLRDMRSA-N 1 1 313.445 3.082 10 30 DGEEMO C[C@H](C#N)Oc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000174599169 228292546 /nfs/dbraw/zinc/29/25/46/228292546.db2.gz BEGASRGUWNFSEB-CCNLRDMRSA-N 1 1 313.445 3.082 10 30 DGEEMO COc1cccc2c1CC[N@@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000489544531 274151151 /nfs/dbraw/zinc/15/11/51/274151151.db2.gz IMGRVZQMUDGSRA-UHFFFAOYSA-N 1 1 309.384 3.287 10 30 DGEEMO C=C(C)C[N@H+](CC)CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000114712610 431406236 /nfs/dbraw/zinc/40/62/36/431406236.db2.gz VGVJMUOXBQQWPM-SFHVURJKSA-N 1 1 316.445 3.257 10 30 DGEEMO CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccco1)C1(C#N)CCCCC1 ZINC000116298988 431505042 /nfs/dbraw/zinc/50/50/42/431505042.db2.gz WIAAGYCCXADOSK-OAHLLOKOSA-N 1 1 315.417 3.101 10 30 DGEEMO CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccco1)C1(C#N)CCCCC1 ZINC000116298988 431505045 /nfs/dbraw/zinc/50/50/45/431505045.db2.gz WIAAGYCCXADOSK-OAHLLOKOSA-N 1 1 315.417 3.101 10 30 DGEEMO C=CCCC(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000078153596 431644797 /nfs/dbraw/zinc/64/47/97/431644797.db2.gz FPHTXBKRMCFQFN-GJZGRUSLSA-N 1 1 302.418 3.201 10 30 DGEEMO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000026325277 431670887 /nfs/dbraw/zinc/67/08/87/431670887.db2.gz INXPZHHIYDCSNS-HZPDHXFCSA-N 1 1 321.424 3.256 10 30 DGEEMO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000026325277 431670894 /nfs/dbraw/zinc/67/08/94/431670894.db2.gz INXPZHHIYDCSNS-HZPDHXFCSA-N 1 1 321.424 3.256 10 30 DGEEMO C=CCc1cc(CN(C)C[C@H]2CCC[N@@H+]2CC)cc(OC)c1O ZINC000123393817 431863724 /nfs/dbraw/zinc/86/37/24/431863724.db2.gz JNYDQDARIZVTEM-QGZVFWFLSA-N 1 1 318.461 3.045 10 30 DGEEMO C=CCCC[N@H+](C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000093533686 431915394 /nfs/dbraw/zinc/91/53/94/431915394.db2.gz LNOPZSCXUDVQNJ-UHFFFAOYSA-N 1 1 313.401 3.246 10 30 DGEEMO C#CCOc1ccccc1C[N@@H+](CC)CCc1nccs1 ZINC000093764620 431917973 /nfs/dbraw/zinc/91/79/73/431917973.db2.gz YTBQCYLIZBVVPP-UHFFFAOYSA-N 1 1 300.427 3.220 10 30 DGEEMO C#CCCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000248741571 432316690 /nfs/dbraw/zinc/31/66/90/432316690.db2.gz DROYADBBXMNHKW-DOTOQJQBSA-N 1 1 304.821 3.005 10 30 DGEEMO C#CCCCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000248741571 432316694 /nfs/dbraw/zinc/31/66/94/432316694.db2.gz DROYADBBXMNHKW-DOTOQJQBSA-N 1 1 304.821 3.005 10 30 DGEEMO COCC[N@H+](CC#Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000191971240 432320705 /nfs/dbraw/zinc/32/07/05/432320705.db2.gz QORMFTOSRRTERD-UHFFFAOYSA-N 1 1 304.393 3.058 10 30 DGEEMO COCC[N@@H+](CC#Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000191971240 432320716 /nfs/dbraw/zinc/32/07/16/432320716.db2.gz QORMFTOSRRTERD-UHFFFAOYSA-N 1 1 304.393 3.058 10 30 DGEEMO CCCCCCCCC[N@@H+]1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000192013333 432324271 /nfs/dbraw/zinc/32/42/71/432324271.db2.gz MSKWBTASEPMZPA-LJQANCHMSA-N 1 1 309.542 3.449 10 30 DGEEMO CCCCCCCCC[N@H+]1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000192013333 432324276 /nfs/dbraw/zinc/32/42/76/432324276.db2.gz MSKWBTASEPMZPA-LJQANCHMSA-N 1 1 309.542 3.449 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1OC ZINC000174223720 432330125 /nfs/dbraw/zinc/33/01/25/432330125.db2.gz URKNMXNMWDQSQN-KGLIPLIRSA-N 1 1 322.424 3.298 10 30 DGEEMO Cc1nc([C@H]2CCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)cs1 ZINC000249456313 432348280 /nfs/dbraw/zinc/34/82/80/432348280.db2.gz NRHDSDYHZZXGGU-IAGOWNOFSA-N 1 1 313.426 3.194 10 30 DGEEMO CC[N@H+](C[C@@H](O)COc1ccccc1C(C)C)C[C@H](C)C#N ZINC000249913669 432361527 /nfs/dbraw/zinc/36/15/27/432361527.db2.gz WTVUELXOZCLTDX-HZPDHXFCSA-N 1 1 304.434 3.031 10 30 DGEEMO CC[N@@H+](C[C@@H](O)COc1ccccc1C(C)C)C[C@H](C)C#N ZINC000249913669 432361530 /nfs/dbraw/zinc/36/15/30/432361530.db2.gz WTVUELXOZCLTDX-HZPDHXFCSA-N 1 1 304.434 3.031 10 30 DGEEMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000193282974 432462770 /nfs/dbraw/zinc/46/27/70/432462770.db2.gz OZEMLVNTYMBNFP-NWDGAFQWSA-N 1 1 315.373 3.347 10 30 DGEEMO C[C@H]1CCC[N@H+]1C1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000154896892 432526556 /nfs/dbraw/zinc/52/65/56/432526556.db2.gz YRHOURKCFRIMCT-LBPRGKRZSA-N 1 1 304.825 3.060 10 30 DGEEMO N#Cc1ccc2ncc(C[N@H+]3CC[C@@H](c4ccccc4)C3)n2c1 ZINC000155061318 432537349 /nfs/dbraw/zinc/53/73/49/432537349.db2.gz HTLOOBPDAVCBHN-QGZVFWFLSA-N 1 1 302.381 3.195 10 30 DGEEMO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CCCO1 ZINC000156230980 432591382 /nfs/dbraw/zinc/59/13/82/432591382.db2.gz MVICZJRQGQLIPP-OAHLLOKOSA-N 1 1 313.319 3.048 10 30 DGEEMO COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000195314867 432618133 /nfs/dbraw/zinc/61/81/33/432618133.db2.gz LXRKXEOXSZISGY-INIZCTEOSA-N 1 1 322.408 3.370 10 30 DGEEMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC000187954573 432694776 /nfs/dbraw/zinc/69/47/76/432694776.db2.gz WNPSRYVUCMTSRV-KXBFYZLASA-N 1 1 300.446 3.471 10 30 DGEEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000160005370 432702604 /nfs/dbraw/zinc/70/26/04/432702604.db2.gz WQLVBOLJZSDANE-KRWDZBQOSA-N 1 1 324.428 3.163 10 30 DGEEMO C=CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000188225142 432712746 /nfs/dbraw/zinc/71/27/46/432712746.db2.gz UYPRYXQTSFBOIN-NJAFHUGGSA-N 1 1 300.446 3.287 10 30 DGEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cccc(C#N)c1C ZINC000178568670 432754449 /nfs/dbraw/zinc/75/44/49/432754449.db2.gz BCFDJCFUIWHGLR-INIZCTEOSA-N 1 1 323.400 3.068 10 30 DGEEMO C[C@]1(CNc2ncccc2C#N)CCC[N@H+]1Cc1ccccc1 ZINC000160804322 432742735 /nfs/dbraw/zinc/74/27/35/432742735.db2.gz OQLMUFYTMYFWPF-LJQANCHMSA-N 1 1 306.413 3.420 10 30 DGEEMO C[C@@]1(CNc2ncccc2C#N)CCC[N@H+]1Cc1ccccc1 ZINC000160804460 432742779 /nfs/dbraw/zinc/74/27/79/432742779.db2.gz OQLMUFYTMYFWPF-IBGZPJMESA-N 1 1 306.413 3.420 10 30 DGEEMO Cc1nc([C@H]2CCC[N@H+]2C[C@H](O)c2ccc(C#N)cc2)cs1 ZINC000189784188 432819178 /nfs/dbraw/zinc/81/91/78/432819178.db2.gz NRHDSDYHZZXGGU-SJORKVTESA-N 1 1 313.426 3.194 10 30 DGEEMO COc1ccc([C@H]2CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000246023990 432874583 /nfs/dbraw/zinc/87/45/83/432874583.db2.gz MTNIWHQSEWJDBJ-AZUAARDMSA-N 1 1 322.408 3.090 10 30 DGEEMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000245544881 432841782 /nfs/dbraw/zinc/84/17/82/432841782.db2.gz STYPWLLSOCBLHC-OLMNPRSZSA-N 1 1 300.402 3.121 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425015584 433077181 /nfs/dbraw/zinc/07/71/81/433077181.db2.gz VUEKZTPLQVTSGE-YTQUADARSA-N 1 1 312.457 3.322 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000446711495 433083239 /nfs/dbraw/zinc/08/32/39/433083239.db2.gz MRJDKPJYXMTJMQ-PXNSSMCTSA-N 1 1 312.457 3.239 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000446736446 433096096 /nfs/dbraw/zinc/09/60/96/433096096.db2.gz ULNVAUJJURYTGU-LJQANCHMSA-N 1 1 300.446 3.075 10 30 DGEEMO C#CCCCCC(=O)NC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000373142389 433103261 /nfs/dbraw/zinc/10/32/61/433103261.db2.gz STPVVQLSCOQFQD-IBGZPJMESA-N 1 1 312.457 3.003 10 30 DGEEMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2c2ccc(F)cc2)C1=O ZINC000337194551 433214639 /nfs/dbraw/zinc/21/46/39/433214639.db2.gz VKOQCXYDBBYYKN-DLBZAZTESA-N 1 1 302.393 3.140 10 30 DGEEMO C[C@@H](NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(C#N)cc1F ZINC000447600482 433243802 /nfs/dbraw/zinc/24/38/02/433243802.db2.gz MGWNNLHOUNUMFY-CJNGLKHVSA-N 1 1 301.409 3.365 10 30 DGEEMO C[C@@H](NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc(C#N)cc1F ZINC000447600482 433243812 /nfs/dbraw/zinc/24/38/12/433243812.db2.gz MGWNNLHOUNUMFY-CJNGLKHVSA-N 1 1 301.409 3.365 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000291680162 433310506 /nfs/dbraw/zinc/31/05/06/433310506.db2.gz GWDVQFBWCCFXHM-KGLIPLIRSA-N 1 1 318.383 3.240 10 30 DGEEMO C=CCCCNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000448035778 433354262 /nfs/dbraw/zinc/35/42/62/433354262.db2.gz SGILPDBZQYZGHX-QGZVFWFLSA-N 1 1 315.461 3.259 10 30 DGEEMO C=CCCCNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000448035777 433355868 /nfs/dbraw/zinc/35/58/68/433355868.db2.gz SGILPDBZQYZGHX-KRWDZBQOSA-N 1 1 315.461 3.259 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000299602237 433374358 /nfs/dbraw/zinc/37/43/58/433374358.db2.gz LOIOWUYVGIQMDT-AWEZNQCLSA-N 1 1 319.474 3.009 10 30 DGEEMO C=C(C)[C@@H](CC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)OCC ZINC000375245845 433396297 /nfs/dbraw/zinc/39/62/97/433396297.db2.gz POIPBSADNMMMLF-GOSISDBHSA-N 1 1 314.429 3.474 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000448370492 433399322 /nfs/dbraw/zinc/39/93/22/433399322.db2.gz IPLCKAZTSYDGJS-INIZCTEOSA-N 1 1 317.429 3.021 10 30 DGEEMO C=CCOc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000355209772 433538637 /nfs/dbraw/zinc/53/86/37/433538637.db2.gz KENZSAUTGJSPCP-IEBWSBKVSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCOc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000355209772 433538645 /nfs/dbraw/zinc/53/86/45/433538645.db2.gz KENZSAUTGJSPCP-IEBWSBKVSA-N 1 1 300.446 3.168 10 30 DGEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)c1cccc(C#N)n1 ZINC000301871661 433771580 /nfs/dbraw/zinc/77/15/80/433771580.db2.gz WWLPKWCOJNLTNV-VQIMIIECSA-N 1 1 320.440 3.300 10 30 DGEEMO C[N@H+]1CC[C@H](Nc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)cc1 ZINC000301872978 433768864 /nfs/dbraw/zinc/76/88/64/433768864.db2.gz KYCUJCGSHAPASR-DOTOQJQBSA-N 1 1 312.804 3.464 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000362451423 433722620 /nfs/dbraw/zinc/72/26/20/433722620.db2.gz LQXBKQCFNBYGOI-HZPDHXFCSA-N 1 1 304.434 3.477 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000362451423 433722630 /nfs/dbraw/zinc/72/26/30/433722630.db2.gz LQXBKQCFNBYGOI-HZPDHXFCSA-N 1 1 304.434 3.477 10 30 DGEEMO CC(=O)Nc1ccn([C@@H]2CC[N@@H+](CCc3ccccc3F)C2)n1 ZINC000328617274 434290728 /nfs/dbraw/zinc/29/07/28/434290728.db2.gz CPRNITDGFNUCSH-OAHLLOKOSA-N 1 1 316.380 3.120 10 30 DGEEMO CC(=O)Nc1ccn([C@H]2CC[N@@H+](Cc3ccc(C)c(F)c3)C2)n1 ZINC000328636007 434292652 /nfs/dbraw/zinc/29/26/52/434292652.db2.gz VHGIYOHKDULOIF-HNNXBMFYSA-N 1 1 316.380 3.386 10 30 DGEEMO CC(=O)Nc1ccn([C@@H]2CC[N@@H+](Cc3ccc(C)c(F)c3)C2)n1 ZINC000328636009 434293201 /nfs/dbraw/zinc/29/32/01/434293201.db2.gz VHGIYOHKDULOIF-OAHLLOKOSA-N 1 1 316.380 3.386 10 30 DGEEMO Cn1ccc([C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2ccc(F)cc2)n1 ZINC000365812483 434310639 /nfs/dbraw/zinc/31/06/39/434310639.db2.gz DNUBEIFMBXDTNY-FDQGKXFDSA-N 1 1 312.392 3.321 10 30 DGEEMO Cn1ccc([C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)c2ccc(F)cc2)n1 ZINC000365812487 434310914 /nfs/dbraw/zinc/31/09/14/434310914.db2.gz DNUBEIFMBXDTNY-QANKJYHBSA-N 1 1 312.392 3.321 10 30 DGEEMO Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)[nH]1 ZINC000328871108 434320710 /nfs/dbraw/zinc/32/07/10/434320710.db2.gz IGXOACSHWIQVDH-HIFRSBDPSA-N 1 1 318.808 3.122 10 30 DGEEMO Cc1ncc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)[nH]1 ZINC000328871108 434320715 /nfs/dbraw/zinc/32/07/15/434320715.db2.gz IGXOACSHWIQVDH-HIFRSBDPSA-N 1 1 318.808 3.122 10 30 DGEEMO C=CCc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cc(OC)c1O ZINC000438362151 434468885 /nfs/dbraw/zinc/46/88/85/434468885.db2.gz WTPGECSCODSJGN-IHRRRGAJSA-N 1 1 305.418 3.127 10 30 DGEEMO C=CCc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cc(OC)c1O ZINC000438362151 434468894 /nfs/dbraw/zinc/46/88/94/434468894.db2.gz WTPGECSCODSJGN-IHRRRGAJSA-N 1 1 305.418 3.127 10 30 DGEEMO C=CCn1cc(C[NH2+][C@H](c2ccc(F)c(F)c2)C(C)C)nn1 ZINC000424295132 434682501 /nfs/dbraw/zinc/68/25/01/434682501.db2.gz MGZGWAMJWZQHNT-INIZCTEOSA-N 1 1 306.360 3.229 10 30 DGEEMO C=CCN(Cc1ccccc1)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000460228205 434750276 /nfs/dbraw/zinc/75/02/76/434750276.db2.gz MSDACDJNZVNBOA-UHFFFAOYSA-N 1 1 313.445 3.036 10 30 DGEEMO C=CCN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000554597312 434938265 /nfs/dbraw/zinc/93/82/65/434938265.db2.gz NDNBWMCPIIKCRQ-GFCCVEGCSA-N 1 1 312.866 3.258 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000523583132 434954240 /nfs/dbraw/zinc/95/42/40/434954240.db2.gz WDNAWCIIHBACNF-INIZCTEOSA-N 1 1 318.848 3.330 10 30 DGEEMO C=CCOc1cccc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527810012 435016060 /nfs/dbraw/zinc/01/60/60/435016060.db2.gz TUBDZUJBWRTWOP-SFHVURJKSA-N 1 1 300.446 3.358 10 30 DGEEMO C=CCOc1cccc(CNC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527810012 435016065 /nfs/dbraw/zinc/01/60/65/435016065.db2.gz TUBDZUJBWRTWOP-SFHVURJKSA-N 1 1 300.446 3.358 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000575896294 435052450 /nfs/dbraw/zinc/05/24/50/435052450.db2.gz JFJYOTCEGZIDPE-FUHWJXTLSA-N 1 1 315.461 3.257 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)cc1 ZINC000480621190 435386128 /nfs/dbraw/zinc/38/61/28/435386128.db2.gz JEKQIMNSJVGOML-IBGZPJMESA-N 1 1 311.425 3.287 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000537650071 435460252 /nfs/dbraw/zinc/46/02/52/435460252.db2.gz AVUFFGMUNFYILZ-QGZVFWFLSA-N 1 1 301.430 3.500 10 30 DGEEMO C=CCCCCCNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000517169769 435579843 /nfs/dbraw/zinc/57/98/43/435579843.db2.gz BPFKKTQRHCBXSG-MRXNPFEDSA-N 1 1 307.482 3.249 10 30 DGEEMO C=CCCCCCNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000517169766 435580161 /nfs/dbraw/zinc/58/01/61/435580161.db2.gz BPFKKTQRHCBXSG-INIZCTEOSA-N 1 1 307.482 3.249 10 30 DGEEMO C[C@@H]1CCCC[N@@H+]1CCNCc1cccc(OCCCC#N)c1 ZINC000237680415 332384982 /nfs/dbraw/zinc/38/49/82/332384982.db2.gz ZTZAMFSVUPUSMO-QGZVFWFLSA-N 1 1 315.461 3.333 10 30 DGEEMO C[C@@H]1CCCC[N@H+]1CCNCc1cccc(OCCCC#N)c1 ZINC000237680415 332384983 /nfs/dbraw/zinc/38/49/83/332384983.db2.gz ZTZAMFSVUPUSMO-QGZVFWFLSA-N 1 1 315.461 3.333 10 30 DGEEMO C=CCCCC[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000580282400 333056810 /nfs/dbraw/zinc/05/68/10/333056810.db2.gz NCCSYKJFEGDJEB-INIZCTEOSA-N 1 1 301.434 3.397 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1 ZINC000499255283 333235505 /nfs/dbraw/zinc/23/55/05/333235505.db2.gz MYVHXITXQKLUSK-ZWKOTPCHSA-N 1 1 303.446 3.480 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000521425083 333380937 /nfs/dbraw/zinc/38/09/37/333380937.db2.gz HQIXRGHALXTTGR-GOSISDBHSA-N 1 1 318.436 3.257 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000303753541 334330235 /nfs/dbraw/zinc/33/02/35/334330235.db2.gz MJWYJFKWRHSDTF-QGZVFWFLSA-N 1 1 300.446 3.058 10 30 DGEEMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000542248779 341001835 /nfs/dbraw/zinc/00/18/35/341001835.db2.gz WQGZDCYUPTUBOS-JKSUJKDBSA-N 1 1 303.450 3.006 10 30 DGEEMO C=CC[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000249274995 341395654 /nfs/dbraw/zinc/39/56/54/341395654.db2.gz LQOMNSPZZUPOMN-RYQLBKOJSA-N 1 1 300.446 3.191 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249328771 341396547 /nfs/dbraw/zinc/39/65/47/341396547.db2.gz OLOLXFAWBBCOGK-QWHCGFSZSA-N 1 1 306.372 3.074 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000249328771 341396548 /nfs/dbraw/zinc/39/65/48/341396548.db2.gz OLOLXFAWBBCOGK-QWHCGFSZSA-N 1 1 306.372 3.074 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000121138468 500574662 /nfs/dbraw/zinc/57/46/62/500574662.db2.gz KEDFSRRHLSFHDH-UHFFFAOYSA-N 1 1 303.431 3.157 10 30 DGEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000302218382 533745129 /nfs/dbraw/zinc/74/51/29/533745129.db2.gz QNWDEBLKXCLCHS-AWEZNQCLSA-N 1 1 324.384 3.399 10 30 DGEEMO Fc1ccc(C#CC[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000130362152 534463154 /nfs/dbraw/zinc/46/31/54/534463154.db2.gz VORSMJICJWHYMR-QGZVFWFLSA-N 1 1 309.388 3.006 10 30 DGEEMO Cc1oc(NC(=O)C[N@H+]2CC[C@@H](C)C[C@H](C)C2)c(C#N)c1C ZINC000127534353 534546297 /nfs/dbraw/zinc/54/62/97/534546297.db2.gz IEJDNIPMDCCHEZ-NEPJUHHUSA-N 1 1 303.406 3.075 10 30 DGEEMO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](C)C[C@H](C)C2)c(C#N)c1C ZINC000127534353 534546306 /nfs/dbraw/zinc/54/63/06/534546306.db2.gz IEJDNIPMDCCHEZ-NEPJUHHUSA-N 1 1 303.406 3.075 10 30 DGEEMO C=CCC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000459054728 534598115 /nfs/dbraw/zinc/59/81/15/534598115.db2.gz SPJKFRCWGMWKFZ-JKSUJKDBSA-N 1 1 307.482 3.247 10 30 DGEEMO C=CCC1(CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)CCCC1 ZINC000459055328 534600126 /nfs/dbraw/zinc/60/01/26/534600126.db2.gz UYQLXNFDQZFTEX-SJORKVTESA-N 1 1 321.509 3.495 10 30 DGEEMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000157964685 523523905 /nfs/dbraw/zinc/52/39/05/523523905.db2.gz MBDWBCDQVNGTNE-CQSZACIVSA-N 1 1 313.426 3.403 10 30 DGEEMO C=CC[N@@H+](CCC1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000177075368 526272999 /nfs/dbraw/zinc/27/29/99/526272999.db2.gz OHOFZSWVADRIST-BFYDXBDKSA-N 1 1 313.507 3.124 10 30 DGEEMO C=CC[N@H+](CCC1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000177075368 526273004 /nfs/dbraw/zinc/27/30/04/526273004.db2.gz OHOFZSWVADRIST-BFYDXBDKSA-N 1 1 313.507 3.124 10 30 DGEEMO CC#CCC[N@H+](CCC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000156636662 526306393 /nfs/dbraw/zinc/30/63/93/526306393.db2.gz MKNNFDJIPVHSGT-UHFFFAOYSA-N 1 1 314.477 3.188 10 30 DGEEMO C#CCCCCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000365767323 526687121 /nfs/dbraw/zinc/68/71/21/526687121.db2.gz XZBKIRZJVYXYDM-PMACEKPBSA-N 1 1 324.468 3.161 10 30 DGEEMO C=CCOCCN(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000338956373 526768350 /nfs/dbraw/zinc/76/83/50/526768350.db2.gz XVVSLBRWRWSOTI-MJGOQNOKSA-N 1 1 302.462 3.346 10 30 DGEEMO C=CCOCC[N@@H+](CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000338956373 526768352 /nfs/dbraw/zinc/76/83/52/526768352.db2.gz XVVSLBRWRWSOTI-MJGOQNOKSA-N 1 1 302.462 3.346 10 30 DGEEMO C=CCOCC[N@H+](CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000338956373 526768357 /nfs/dbraw/zinc/76/83/57/526768357.db2.gz XVVSLBRWRWSOTI-MJGOQNOKSA-N 1 1 302.462 3.346 10 30 DGEEMO C=CCOc1cccc(C[N@@H+](CCO)Cc2ccc(C)o2)c1 ZINC000355664782 526898495 /nfs/dbraw/zinc/89/84/95/526898495.db2.gz VFVHNZBMRMCMQQ-UHFFFAOYSA-N 1 1 301.386 3.147 10 30 DGEEMO C=CCOc1cccc(C[N@H+](CCO)Cc2ccc(C)o2)c1 ZINC000355664782 526898501 /nfs/dbraw/zinc/89/85/01/526898501.db2.gz VFVHNZBMRMCMQQ-UHFFFAOYSA-N 1 1 301.386 3.147 10 30 DGEEMO C=CCOc1ccccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000355202352 526933401 /nfs/dbraw/zinc/93/34/01/526933401.db2.gz CTQSFRMXZGGGGY-SJLPKXTDSA-N 1 1 300.446 3.168 10 30 DGEEMO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cc1 ZINC000130911694 527115910 /nfs/dbraw/zinc/11/59/10/527115910.db2.gz XYAWVDBJIHGCPU-LSDHHAIUSA-N 1 1 324.428 3.038 10 30 DGEEMO C=CCCCN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176364564 527189261 /nfs/dbraw/zinc/18/92/61/527189261.db2.gz BFYIFLJDCLYPEL-KRWDZBQOSA-N 1 1 304.409 3.215 10 30 DGEEMO C=CCCCN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000176364564 527189268 /nfs/dbraw/zinc/18/92/68/527189268.db2.gz BFYIFLJDCLYPEL-KRWDZBQOSA-N 1 1 304.409 3.215 10 30 DGEEMO C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000181414373 527261639 /nfs/dbraw/zinc/26/16/39/527261639.db2.gz SMEZBBPUHTYKOK-GDBMZVCRSA-N 1 1 304.438 3.110 10 30 DGEEMO C=CCCC[C@@H](C)NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000181406391 527262615 /nfs/dbraw/zinc/26/26/15/527262615.db2.gz CONDAXWBYLHXED-OAHLLOKOSA-N 1 1 318.465 3.129 10 30 DGEEMO C=CCN(C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000428282278 527569876 /nfs/dbraw/zinc/56/98/76/527569876.db2.gz PDXQPCVEPZBYLD-HNNXBMFYSA-N 1 1 301.434 3.138 10 30 DGEEMO C=C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000135654812 527572664 /nfs/dbraw/zinc/57/26/64/527572664.db2.gz AYEBZEPXHQIAJQ-LZLYRXPVSA-N 1 1 300.446 3.287 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1cc(C)ccc1C ZINC000429305861 527632611 /nfs/dbraw/zinc/63/26/11/527632611.db2.gz GZMPBPMDCSTRBG-KRWDZBQOSA-N 1 1 300.446 3.324 10 30 DGEEMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)cc1 ZINC000093863689 545857986 /nfs/dbraw/zinc/85/79/86/545857986.db2.gz GUQVRSSPKNPMAO-SFHVURJKSA-N 1 1 311.429 3.494 10 30 DGEEMO C=CCOc1cccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000129353627 545941356 /nfs/dbraw/zinc/94/13/56/545941356.db2.gz ROZKPNQRZGHJGI-MJGOQNOKSA-N 1 1 301.430 3.378 10 30 DGEEMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCCC[C@H]2CCO)c1C ZINC000342042815 546553994 /nfs/dbraw/zinc/55/39/94/546553994.db2.gz YMTKFVQDKNFITL-KRWDZBQOSA-N 1 1 318.461 3.101 10 30 DGEEMO CCC(C#N)(CC)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390796836 546755121 /nfs/dbraw/zinc/75/51/21/546755121.db2.gz KFPFTLJGWKYBPS-QGZVFWFLSA-N 1 1 313.445 3.049 10 30 DGEEMO C=CC[N@@H+](CC[C@H](CC)CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000437692466 546826292 /nfs/dbraw/zinc/82/62/92/546826292.db2.gz OPCMNXCFYSQDLF-HZPDHXFCSA-N 1 1 301.496 3.268 10 30 DGEEMO C=CC[N@H+](CC[C@H](CC)CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000437692466 546826297 /nfs/dbraw/zinc/82/62/97/546826297.db2.gz OPCMNXCFYSQDLF-HZPDHXFCSA-N 1 1 301.496 3.268 10 30 DGEEMO Cc1ccc(N=NC2CC[N@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000734364890 574658012 /nfs/dbraw/zinc/65/80/12/574658012.db2.gz JSPCHNZPNOPEOP-CQSZACIVSA-N 1 1 309.417 3.095 10 30 DGEEMO COc1ccc(OC)c(C[NH2+]Cc2cc(C#N)ccc2F)c1 ZINC000742381842 574994694 /nfs/dbraw/zinc/99/46/94/574994694.db2.gz NEUOSUNUYPMCHT-UHFFFAOYSA-N 1 1 300.333 3.004 10 30 DGEEMO C=CCSc1nc2ccccc2n1C[N@@H+](C)C[C@H]1CCCO1 ZINC000738061016 576076595 /nfs/dbraw/zinc/07/65/95/576076595.db2.gz JLCYHXSEDVYPLB-CQSZACIVSA-N 1 1 317.458 3.383 10 30 DGEEMO C#CCOc1ccccc1C[N@@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000122916876 622428749 /nfs/dbraw/zinc/42/87/49/622428749.db2.gz IRUVKSZRCJCVKS-SFHVURJKSA-N 1 1 323.440 3.295 10 30 DGEEMO C#CC[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)C1CCCC1 ZINC000135285448 626921563 /nfs/dbraw/zinc/92/15/63/626921563.db2.gz GKUWYPYOGBZITC-UHFFFAOYSA-N 1 1 317.339 3.393 10 30 DGEEMO C#CC[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)C1CCCC1 ZINC000135285448 626921569 /nfs/dbraw/zinc/92/15/69/626921569.db2.gz GKUWYPYOGBZITC-UHFFFAOYSA-N 1 1 317.339 3.393 10 30 DGEEMO C=C[C@](C)(CCOC)C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187602062 655553136 /nfs/dbraw/zinc/55/31/36/655553136.db2.gz HRNYCDDIPPUNMZ-PKOBYXMFSA-N 1 1 317.429 3.033 10 30 DGEEMO C=CCC1(O)CC[NH+](Cc2ccsc2Br)CC1 ZINC000717429923 661264617 /nfs/dbraw/zinc/26/46/17/661264617.db2.gz PMAQYAIDCJBBNF-UHFFFAOYSA-N 1 1 316.264 3.414 10 30 DGEEMO CC(C)Oc1ccc(NC(=[NH2+])NCCN2CCCC[C@@H]2C)cc1 ZINC000303910378 657578276 /nfs/dbraw/zinc/57/82/76/657578276.db2.gz YUWAJWKIIWVUNT-HNNXBMFYSA-N 1 1 318.465 3.075 10 30 DGEEMO C=CCc1cc(OC)cc(CN(C)C[C@@H]2CCC[N@@H+]2CC)c1O ZINC000164445859 658935479 /nfs/dbraw/zinc/93/54/79/658935479.db2.gz FFRVGERJAKLPLA-KRWDZBQOSA-N 1 1 318.461 3.045 10 30 DGEEMO C=CCc1cc(OC)cc(C[N@@H+](C)C[C@@H]2CCCN2CC)c1O ZINC000164445859 658935482 /nfs/dbraw/zinc/93/54/82/658935482.db2.gz FFRVGERJAKLPLA-KRWDZBQOSA-N 1 1 318.461 3.045 10 30 DGEEMO C=CCc1cc(OC)cc(C[N@H+](C)C[C@@H]2CCCN2CC)c1O ZINC000164445859 658935483 /nfs/dbraw/zinc/93/54/83/658935483.db2.gz FFRVGERJAKLPLA-KRWDZBQOSA-N 1 1 318.461 3.045 10 30 DGEEMO CC(C)Cn1ccnc1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000181809664 660020918 /nfs/dbraw/zinc/02/09/18/660020918.db2.gz UTPKUIAAGNTQSZ-OAHLLOKOSA-N 1 1 312.417 3.292 10 30 DGEEMO CC[N@@H+](Cc1ccc(SC(=O)N(C)C)cc1)C[C@@H](C)C#N ZINC000084071982 662199147 /nfs/dbraw/zinc/19/91/47/662199147.db2.gz RAYQQFROEQNUKC-ZDUSSCGKSA-N 1 1 305.447 3.442 10 30 DGEEMO CC[N@H+](Cc1ccc(SC(=O)N(C)C)cc1)C[C@@H](C)C#N ZINC000084071982 662199148 /nfs/dbraw/zinc/19/91/48/662199148.db2.gz RAYQQFROEQNUKC-ZDUSSCGKSA-N 1 1 305.447 3.442 10 30 DGEEMO CC[N@@H+](CCc1nccs1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000093764516 662359597 /nfs/dbraw/zinc/35/95/97/662359597.db2.gz UFWYJMGANUCRKB-CQSZACIVSA-N 1 1 315.442 3.499 10 30 DGEEMO N#Cc1ccc(Br)cc1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229384173 1176584842 /nfs/dbraw/zinc/58/48/42/1176584842.db2.gz OOVJOXIUQJOSHZ-ZFWWWQNUSA-N 1 1 320.234 3.359 10 30 DGEEMO CCC[N@H+]1CC[C@@H](Nc2cc(Br)ccc2C#N)C1 ZINC000328454660 1176640389 /nfs/dbraw/zinc/64/03/89/1176640389.db2.gz FAEFDVNHLNDPEP-CYBMUJFWSA-N 1 1 308.223 3.217 10 30 DGEEMO C=C(Br)C[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000125130223 1200363497 /nfs/dbraw/zinc/36/34/97/1200363497.db2.gz QMQAVELZOMBBKX-SNVBAGLBSA-N 1 1 300.196 3.263 10 30 DGEEMO N#Cc1nccnc1N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000709625353 1083918951 /nfs/dbraw/zinc/91/89/51/1083918951.db2.gz MIARZVYIQFRALP-QGZVFWFLSA-N 1 1 321.428 3.205 10 30 DGEEMO COc1ccc(C[N@@H+](C)Cc2cnc3ccc(C#N)cn23)cc1C ZINC000092787092 185341095 /nfs/dbraw/zinc/34/10/95/185341095.db2.gz NCPIJXIBJLWVEH-UHFFFAOYSA-N 1 1 320.396 3.155 10 30 DGEEMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](c4nccs4)C3)n2c1 ZINC000092788647 185341393 /nfs/dbraw/zinc/34/13/93/185341393.db2.gz BAKFASHITLDZLO-CQSZACIVSA-N 1 1 323.425 3.042 10 30 DGEEMO CCc1nccn1[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000160003091 529761481 /nfs/dbraw/zinc/76/14/81/529761481.db2.gz HGCWISOXSICKQQ-SFHVURJKSA-N 1 1 311.404 3.273 10 30 DGEEMO N#Cc1ccc2ncc(C[N@H+](Cc3cccs3)C3CC3)n2c1 ZINC000130245053 432018688 /nfs/dbraw/zinc/01/86/88/432018688.db2.gz KVKPUNUBSAEFAG-UHFFFAOYSA-N 1 1 308.410 3.432 10 30 DGEEMO N#Cc1ccc2ncc(C[N@@H+](Cc3cccs3)C3CC3)n2c1 ZINC000130245053 432018690 /nfs/dbraw/zinc/01/86/90/432018690.db2.gz KVKPUNUBSAEFAG-UHFFFAOYSA-N 1 1 308.410 3.432 10 30 DGEEMO N#CC1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000179605590 283050416 /nfs/dbraw/zinc/05/04/16/283050416.db2.gz RFQQATZHULGVAP-HNNXBMFYSA-N 1 1 303.793 3.069 10 30 DGEEMO C[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCCCC2)[C@@H]1c1ccccc1 ZINC000180176366 432079657 /nfs/dbraw/zinc/07/96/57/432079657.db2.gz NUNKYHZDOSAMBT-SJORKVTESA-N 1 1 311.429 3.022 10 30 DGEEMO Cc1[nH+]ccn1C[C@@H]1CCCN1Cc1ccc(Cl)cc1C#N ZINC000187125717 200065554 /nfs/dbraw/zinc/06/55/54/200065554.db2.gz IFJUZWLKGKBDOE-KRWDZBQOSA-N 1 1 314.820 3.381 10 30 DGEEMO C[N@@H+](Cc1ccccn1)[C@H]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000275482056 212363492 /nfs/dbraw/zinc/36/34/92/212363492.db2.gz BAVJGQJEOJPNOA-IBGZPJMESA-N 1 1 320.440 3.444 10 30 DGEEMO COC(=O)CCC[N@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000092045426 193147248 /nfs/dbraw/zinc/14/72/48/193147248.db2.gz WVSJTKWJZQMEOA-UHFFFAOYSA-N 1 1 312.369 3.107 10 30 DGEEMO COC(=O)CCC[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000092045426 193147250 /nfs/dbraw/zinc/14/72/50/193147250.db2.gz WVSJTKWJZQMEOA-UHFFFAOYSA-N 1 1 312.369 3.107 10 30 DGEEMO C=CCCc1ccccc1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000455384110 242185830 /nfs/dbraw/zinc/18/58/30/242185830.db2.gz NWIFBHHDIQQQNL-IBGZPJMESA-N 1 1 313.445 3.365 10 30 DGEEMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)o1 ZINC000093594218 193270825 /nfs/dbraw/zinc/27/08/25/193270825.db2.gz ISCXDTOWTMWCKQ-CQSZACIVSA-N 1 1 312.344 3.385 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)o1 ZINC000093594218 193270827 /nfs/dbraw/zinc/27/08/27/193270827.db2.gz ISCXDTOWTMWCKQ-CQSZACIVSA-N 1 1 312.344 3.385 10 30 DGEEMO COc1cc(OC)cc([C@@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)c1 ZINC000093837993 193314262 /nfs/dbraw/zinc/31/42/62/193314262.db2.gz NCCAGNZJFBCEEI-CYBMUJFWSA-N 1 1 312.369 3.158 10 30 DGEEMO CC[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000126068493 284292430 /nfs/dbraw/zinc/29/24/30/284292430.db2.gz SXPVHHRIVSMYMU-LJQANCHMSA-N 1 1 319.408 3.186 10 30 DGEEMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000171382813 432129620 /nfs/dbraw/zinc/12/96/20/432129620.db2.gz KRVAQXJGAHKNQA-AWEZNQCLSA-N 1 1 310.376 3.026 10 30 DGEEMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000171382813 432129622 /nfs/dbraw/zinc/12/96/22/432129622.db2.gz KRVAQXJGAHKNQA-AWEZNQCLSA-N 1 1 310.376 3.026 10 30 DGEEMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246436814 432131225 /nfs/dbraw/zinc/13/12/25/432131225.db2.gz CXSAIVOYNQLQHI-FHLIZLRMSA-N 1 1 315.392 3.157 10 30 DGEEMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246436814 432131226 /nfs/dbraw/zinc/13/12/26/432131226.db2.gz CXSAIVOYNQLQHI-FHLIZLRMSA-N 1 1 315.392 3.157 10 30 DGEEMO CCc1[nH+]ccn1[C@@H]1CCCN(Cc2ccc(F)cc2C#N)C1 ZINC000105897965 194163020 /nfs/dbraw/zinc/16/30/20/194163020.db2.gz QJOULDPTNRPTRB-QGZVFWFLSA-N 1 1 312.392 3.293 10 30 DGEEMO Cc1cc(C#N)cc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)n1 ZINC000342822945 254059482 /nfs/dbraw/zinc/05/94/82/254059482.db2.gz GGWDBKLXCIKBEE-QGZVFWFLSA-N 1 1 320.440 3.363 10 30 DGEEMO Cc1cc(C#N)cc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000342847043 254064460 /nfs/dbraw/zinc/06/44/60/254064460.db2.gz GOPWYIAZNCTMBL-KBXCAEBGSA-N 1 1 306.413 3.194 10 30 DGEEMO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000066853089 400124693 /nfs/dbraw/zinc/12/46/93/400124693.db2.gz LHLHPVLHCZHIPL-OXJNMPFZSA-N 1 1 322.408 3.399 10 30 DGEEMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000066853089 400124698 /nfs/dbraw/zinc/12/46/98/400124698.db2.gz LHLHPVLHCZHIPL-OXJNMPFZSA-N 1 1 322.408 3.399 10 30 DGEEMO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000066853087 400125036 /nfs/dbraw/zinc/12/50/36/400125036.db2.gz LHLHPVLHCZHIPL-JXFKEZNVSA-N 1 1 322.408 3.399 10 30 DGEEMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000066853087 400125039 /nfs/dbraw/zinc/12/50/39/400125039.db2.gz LHLHPVLHCZHIPL-JXFKEZNVSA-N 1 1 322.408 3.399 10 30 DGEEMO COC(=O)c1csc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000586789854 400157522 /nfs/dbraw/zinc/15/75/22/400157522.db2.gz CELHOMVOHJOFLQ-JTQLQIEISA-N 1 1 318.373 3.396 10 30 DGEEMO C=CCOc1ccccc1CN1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000093742175 400252981 /nfs/dbraw/zinc/25/29/81/400252981.db2.gz QNDPUSDPMDGKOP-KRWDZBQOSA-N 1 1 302.462 3.415 10 30 DGEEMO C=C(C)COc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2CCC)c1 ZINC000589551560 400304957 /nfs/dbraw/zinc/30/49/57/400304957.db2.gz JJQBNZNVKKDEPF-KRWDZBQOSA-N 1 1 302.418 3.454 10 30 DGEEMO C=CCOc1cccc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000106910756 400332886 /nfs/dbraw/zinc/33/28/86/400332886.db2.gz RAYPPEFSQBXWGS-IBGZPJMESA-N 1 1 324.424 3.363 10 30 DGEEMO CC(C)(C#N)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000601729751 400341409 /nfs/dbraw/zinc/34/14/09/400341409.db2.gz YFVBOWHMYONGAC-QGZVFWFLSA-N 1 1 313.445 3.097 10 30 DGEEMO C=CCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000617617071 400426735 /nfs/dbraw/zinc/42/67/35/400426735.db2.gz UWEZKDAJPPRMQH-HNNXBMFYSA-N 1 1 301.434 3.186 10 30 DGEEMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000045007668 400508304 /nfs/dbraw/zinc/50/83/04/400508304.db2.gz ZIGJBIVPDPETQC-GUYCJALGSA-N 1 1 321.852 3.387 10 30 DGEEMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000045007668 400508305 /nfs/dbraw/zinc/50/83/05/400508305.db2.gz ZIGJBIVPDPETQC-GUYCJALGSA-N 1 1 321.852 3.387 10 30 DGEEMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cncc(OC)c1C ZINC000602453159 400466962 /nfs/dbraw/zinc/46/69/62/400466962.db2.gz GNEZKGNMCJIMMF-UHFFFAOYSA-N 1 1 307.397 3.459 10 30 DGEEMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cncc(OC)c1C ZINC000602453159 400466964 /nfs/dbraw/zinc/46/69/64/400466964.db2.gz GNEZKGNMCJIMMF-UHFFFAOYSA-N 1 1 307.397 3.459 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000132513756 400559703 /nfs/dbraw/zinc/55/97/03/400559703.db2.gz ZRUVMPJPLSIAPW-UHFFFAOYSA-N 1 1 319.836 3.485 10 30 DGEEMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000602903861 400603189 /nfs/dbraw/zinc/60/31/89/400603189.db2.gz UNZREHQMSFYNEH-UXLLHSPISA-N 1 1 301.386 3.092 10 30 DGEEMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C(=O)OC)c1cccc(OC)c1 ZINC000602903861 400603192 /nfs/dbraw/zinc/60/31/92/400603192.db2.gz UNZREHQMSFYNEH-UXLLHSPISA-N 1 1 301.386 3.092 10 30 DGEEMO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592522762 400663317 /nfs/dbraw/zinc/66/33/17/400663317.db2.gz RNJRBHLHRIAFBO-LRFDDAOPSA-N 1 1 324.346 3.459 10 30 DGEEMO C=CC[C@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000188264710 400908179 /nfs/dbraw/zinc/90/81/79/400908179.db2.gz XULBDEHEXCZFMA-WMZOPIPTSA-N 1 1 300.446 3.337 10 30 DGEEMO C=CCOc1ccc(CC(=O)NC(C)(C)C[N@H+](C)CCC)cc1 ZINC000620621736 401151664 /nfs/dbraw/zinc/15/16/64/401151664.db2.gz SIBVQIVKNLRGGS-UHFFFAOYSA-N 1 1 318.461 3.031 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000625703560 401188443 /nfs/dbraw/zinc/18/84/43/401188443.db2.gz NATHSESMLMVROI-GFCCVEGCSA-N 1 1 320.234 3.495 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000600184918 401212421 /nfs/dbraw/zinc/21/24/21/401212421.db2.gz IQGYPQQPQGVQPG-GFCCVEGCSA-N 1 1 306.362 3.010 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)c2cc(C)n(CCCOC)c2C)C1 ZINC000625702182 401186262 /nfs/dbraw/zinc/18/62/62/401186262.db2.gz DWIQLZWLCCYBOZ-QGZVFWFLSA-N 1 1 318.461 3.222 10 30 DGEEMO C=CC[C@H]1CC[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000625702365 401186311 /nfs/dbraw/zinc/18/63/11/401186311.db2.gz DRISUABNLKOZJJ-LBPRGKRZSA-N 1 1 309.369 3.480 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000625700551 401186493 /nfs/dbraw/zinc/18/64/93/401186493.db2.gz KEEZSOOFKDURRK-LBPRGKRZSA-N 1 1 308.809 3.185 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(SC)cc2)C1 ZINC000625703983 401188139 /nfs/dbraw/zinc/18/81/39/401188139.db2.gz QIZYIYJJMWIUKE-OAHLLOKOSA-N 1 1 318.486 3.265 10 30 DGEEMO CC#CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCC ZINC000626388423 401351082 /nfs/dbraw/zinc/35/10/82/401351082.db2.gz QCZIHTRFVVZDOC-RTBURBONSA-N 1 1 312.457 3.064 10 30 DGEEMO C=CCCN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000626615908 401381725 /nfs/dbraw/zinc/38/17/25/401381725.db2.gz IRLWUETWVUCYLL-RBUKOAKNSA-N 1 1 312.457 3.179 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000623494156 401531453 /nfs/dbraw/zinc/53/14/53/401531453.db2.gz DMNAVERQGGIQIB-JKSUJKDBSA-N 1 1 307.482 3.105 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000628486110 401606742 /nfs/dbraw/zinc/60/67/42/401606742.db2.gz AWZSSHPEJYCXFT-HKUYNNGSSA-N 1 1 312.457 3.323 10 30 DGEEMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624325774 401651643 /nfs/dbraw/zinc/65/16/43/401651643.db2.gz ANCMYFWXCGDDSZ-ZACQAIPSSA-N 1 1 307.482 3.152 10 30 DGEEMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C)nc1C ZINC000186843928 165063687 /nfs/dbraw/zinc/06/36/87/165063687.db2.gz PBVVXLCACXHPID-UHFFFAOYSA-N 1 1 309.413 3.219 10 30 DGEEMO N#Cc1ccc(C[NH+]2CCC(Nc3nccs3)CC2)s1 ZINC000189960333 165184360 /nfs/dbraw/zinc/18/43/60/165184360.db2.gz KIQBLEZDKFKABJ-UHFFFAOYSA-N 1 1 304.444 3.153 10 30 DGEEMO CCc1n[nH]c(C2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000190669388 165210646 /nfs/dbraw/zinc/21/06/46/165210646.db2.gz DGRZFMIHOSKLOP-ZDUSSCGKSA-N 1 1 309.417 3.179 10 30 DGEEMO CCc1nc(C2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)n[nH]1 ZINC000190669388 165210649 /nfs/dbraw/zinc/21/06/49/165210649.db2.gz DGRZFMIHOSKLOP-ZDUSSCGKSA-N 1 1 309.417 3.179 10 30 DGEEMO CC[N@H+]1CCC[C@H]1CN(C)c1ccc(Br)cc1C#N ZINC000130462919 196084016 /nfs/dbraw/zinc/08/40/16/196084016.db2.gz STDCDERKFLARKP-AWEZNQCLSA-N 1 1 322.250 3.241 10 30 DGEEMO C[C@H](NCC[N@@H+]1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000181506921 228362490 /nfs/dbraw/zinc/36/24/90/228362490.db2.gz FERZLMIDNNXEHS-CVEARBPZSA-N 1 1 301.434 3.114 10 30 DGEEMO C[C@H](NCC[N@H+]1CCCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000181506921 228362492 /nfs/dbraw/zinc/36/24/92/228362492.db2.gz FERZLMIDNNXEHS-CVEARBPZSA-N 1 1 301.434 3.114 10 30 DGEEMO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000358572478 270004085 /nfs/dbraw/zinc/00/40/85/270004085.db2.gz QBLSEBYPLDJJOQ-GTNSWQLSSA-N 1 1 302.324 3.221 10 30 DGEEMO C[C@]1(CNc2cccnc2C#N)CCC[N@H+]1Cc1ccccc1 ZINC000357434167 267262486 /nfs/dbraw/zinc/26/24/86/267262486.db2.gz CDNLOSSBCPSGBP-LJQANCHMSA-N 1 1 306.413 3.420 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182882997 432238509 /nfs/dbraw/zinc/23/85/09/432238509.db2.gz CDFRKFGOQVQCKB-HZPDHXFCSA-N 1 1 307.482 3.247 10 30 DGEEMO CC[N@H+]1CCC[C@H](CNc2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000619695202 430597671 /nfs/dbraw/zinc/59/76/71/430597671.db2.gz UTADJWVSKVLYPN-LLVKDONJSA-N 1 1 312.339 3.116 10 30 DGEEMO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H]3c3ccco3)C2=O)cc1 ZINC000116288027 431498508 /nfs/dbraw/zinc/49/85/08/431498508.db2.gz XGITVPMJQNKGGG-DLBZAZTESA-N 1 1 321.380 3.094 10 30 DGEEMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H]3c3ccco3)C2=O)cc1 ZINC000116288027 431498514 /nfs/dbraw/zinc/49/85/14/431498514.db2.gz XGITVPMJQNKGGG-DLBZAZTESA-N 1 1 321.380 3.094 10 30 DGEEMO C=CCCC[N@@H+](C)CC(=O)c1cc(C)n([C@H](C)COC)c1C ZINC000121084192 431743620 /nfs/dbraw/zinc/74/36/20/431743620.db2.gz OWNCDYNWCJMLHM-OAHLLOKOSA-N 1 1 306.450 3.393 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)c1cc(C)n([C@H](C)COC)c1C ZINC000121084192 431743627 /nfs/dbraw/zinc/74/36/27/431743627.db2.gz OWNCDYNWCJMLHM-OAHLLOKOSA-N 1 1 306.450 3.393 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000121147941 431747736 /nfs/dbraw/zinc/74/77/36/431747736.db2.gz OLGMBYVJNDKYQO-UHFFFAOYSA-N 1 1 310.825 3.494 10 30 DGEEMO CCC[N@H+](Cc1ccc(C#N)cc1OC)C[C@@H]1CCCCO1 ZINC000121390808 431781129 /nfs/dbraw/zinc/78/11/29/431781129.db2.gz FSGFMTYHIBFTJB-KRWDZBQOSA-N 1 1 302.418 3.348 10 30 DGEEMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000123052391 431853249 /nfs/dbraw/zinc/85/32/49/431853249.db2.gz MRMXIXGZHHRQKD-IBGZPJMESA-N 1 1 323.440 3.431 10 30 DGEEMO CCc1ccc([C@H]2CCCC[N@H+]2CCC(=O)N(C)CCC#N)o1 ZINC000092797751 431912294 /nfs/dbraw/zinc/91/22/94/431912294.db2.gz BFHHLPNSQOQWPH-MRXNPFEDSA-N 1 1 317.433 3.131 10 30 DGEEMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000124776345 431904630 /nfs/dbraw/zinc/90/46/30/431904630.db2.gz AKWCBXMKPZYCDK-GOEBONIOSA-N 1 1 317.433 3.123 10 30 DGEEMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000124776345 431904632 /nfs/dbraw/zinc/90/46/32/431904632.db2.gz AKWCBXMKPZYCDK-GOEBONIOSA-N 1 1 317.433 3.123 10 30 DGEEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192009466 432323813 /nfs/dbraw/zinc/32/38/13/432323813.db2.gz ABIOZFDLJPUFRM-INIZCTEOSA-N 1 1 312.392 3.293 10 30 DGEEMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000248880896 432325779 /nfs/dbraw/zinc/32/57/79/432325779.db2.gz DEXQGYPYZAAZDF-WMLDXEAASA-N 1 1 321.428 3.425 10 30 DGEEMO CC#CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248639274 432310668 /nfs/dbraw/zinc/31/06/68/432310668.db2.gz WQWMNUDDAVMGJQ-HKUYNNGSSA-N 1 1 312.457 3.349 10 30 DGEEMO CC[C@H]1CN(Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000184761246 432430222 /nfs/dbraw/zinc/43/02/22/432430222.db2.gz KXVYUNKVRZPVQU-KRWDZBQOSA-N 1 1 309.413 3.248 10 30 DGEEMO CC[C@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCN1CC(F)F ZINC000153478123 432413693 /nfs/dbraw/zinc/41/36/93/432413693.db2.gz FOFCAIFPQICGPK-BBRMVZONSA-N 1 1 307.388 3.281 10 30 DGEEMO CC[C@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCN1CC(F)F ZINC000153478123 432413695 /nfs/dbraw/zinc/41/36/95/432413695.db2.gz FOFCAIFPQICGPK-BBRMVZONSA-N 1 1 307.388 3.281 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193771683 432498089 /nfs/dbraw/zinc/49/80/89/432498089.db2.gz LQMFQEDZAQRMNA-FUHWJXTLSA-N 1 1 300.446 3.227 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193771652 432498228 /nfs/dbraw/zinc/49/82/28/432498228.db2.gz LQMFQEDZAQRMNA-WMZOPIPTSA-N 1 1 300.446 3.227 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000185838073 432538579 /nfs/dbraw/zinc/53/85/79/432538579.db2.gz ANBCEPVDQXVDGK-JZXOWHBKSA-N 1 1 300.446 3.368 10 30 DGEEMO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(Cl)cc3F)n2c1 ZINC000189193443 432770544 /nfs/dbraw/zinc/77/05/44/432770544.db2.gz LSAUFKWNWRJYTI-UHFFFAOYSA-N 1 1 314.751 3.288 10 30 DGEEMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000245395205 432827179 /nfs/dbraw/zinc/82/71/79/432827179.db2.gz HJMWGYFTRAJFIL-TZMCWYRMSA-N 1 1 303.431 3.213 10 30 DGEEMO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000245395205 432827180 /nfs/dbraw/zinc/82/71/80/432827180.db2.gz HJMWGYFTRAJFIL-TZMCWYRMSA-N 1 1 303.431 3.213 10 30 DGEEMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(C#N)cc2C)c1 ZINC000162603408 432828173 /nfs/dbraw/zinc/82/81/73/432828173.db2.gz JQYKCUGHYMBDGE-UHFFFAOYSA-N 1 1 321.424 3.248 10 30 DGEEMO N#Cc1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000162924390 432837625 /nfs/dbraw/zinc/83/76/25/432837625.db2.gz CJNLAFYBKSLVFU-NVXWUHKLSA-N 1 1 304.821 3.339 10 30 DGEEMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc(C#N)cc1C ZINC000162012093 432807829 /nfs/dbraw/zinc/80/78/29/432807829.db2.gz HRAJNHBGEIICKQ-UHFFFAOYSA-N 1 1 317.352 3.008 10 30 DGEEMO N#Cc1ccc2ncc(C[N@@H+]3CCS[C@@H]4CCCC[C@H]43)n2c1 ZINC000245688044 432855956 /nfs/dbraw/zinc/85/59/56/432855956.db2.gz AWSURMLFLRGIDT-HZPDHXFCSA-N 1 1 312.442 3.066 10 30 DGEEMO N#Cc1ccc2ncc(C[N@H+]3CCS[C@@H]4CCCC[C@H]43)n2c1 ZINC000245688044 432855958 /nfs/dbraw/zinc/85/59/58/432855958.db2.gz AWSURMLFLRGIDT-HZPDHXFCSA-N 1 1 312.442 3.066 10 30 DGEEMO C[N@H+]1CC[C@H](NC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000245690493 432856930 /nfs/dbraw/zinc/85/69/30/432856930.db2.gz XCKQUONYEJDWKU-ZWKOTPCHSA-N 1 1 320.396 3.125 10 30 DGEEMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C ZINC000298244662 433066397 /nfs/dbraw/zinc/06/63/97/433066397.db2.gz JLSWGBDADNLCQH-SJORKVTESA-N 1 1 322.399 3.451 10 30 DGEEMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)c1C ZINC000298244662 433066409 /nfs/dbraw/zinc/06/64/09/433066409.db2.gz JLSWGBDADNLCQH-SJORKVTESA-N 1 1 322.399 3.451 10 30 DGEEMO C=C(C)[C@H]([NH2+]Cc1cnc(OC)nc1C)c1ccc(F)c(F)c1 ZINC000337202339 433216224 /nfs/dbraw/zinc/21/62/24/433216224.db2.gz GTAVPNWLJYABRC-INIZCTEOSA-N 1 1 319.355 3.479 10 30 DGEEMO N#Cc1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000374600432 433232745 /nfs/dbraw/zinc/23/27/45/433232745.db2.gz BOKGTZRASSCKHP-PWIZWCRZSA-N 1 1 321.424 3.151 10 30 DGEEMO C=C(C)C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000374788418 433278942 /nfs/dbraw/zinc/27/89/42/433278942.db2.gz OIZUVUWNBIDCBC-MRXNPFEDSA-N 1 1 324.428 3.418 10 30 DGEEMO C=CCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000447989641 433343315 /nfs/dbraw/zinc/34/33/15/433343315.db2.gz ITLDPZICBLQWBQ-CVEARBPZSA-N 1 1 321.852 3.351 10 30 DGEEMO C=CCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000447989641 433343322 /nfs/dbraw/zinc/34/33/22/433343322.db2.gz ITLDPZICBLQWBQ-CVEARBPZSA-N 1 1 321.852 3.351 10 30 DGEEMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cnc(C#N)cn1 ZINC000375696125 433532004 /nfs/dbraw/zinc/53/20/04/433532004.db2.gz GSDFWODALJDWMX-KRWDZBQOSA-N 1 1 321.428 3.061 10 30 DGEEMO C=C(C)COc1cc(C[N@@H+]2CC[C@]23CCOC3)ccc1OC ZINC000421400108 433548347 /nfs/dbraw/zinc/54/83/47/433548347.db2.gz RJFMSEGBXUQRRA-GOSISDBHSA-N 1 1 303.402 3.015 10 30 DGEEMO C=C(C)COc1cc(C[N@H+]2CC[C@]23CCOC3)ccc1OC ZINC000421400108 433548351 /nfs/dbraw/zinc/54/83/51/433548351.db2.gz RJFMSEGBXUQRRA-GOSISDBHSA-N 1 1 303.402 3.015 10 30 DGEEMO Cc1cc(C#N)cc(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000342504355 433733460 /nfs/dbraw/zinc/73/34/60/433733460.db2.gz DFIVGHJEEAYFDR-YJBOKZPZSA-N 1 1 306.413 3.337 10 30 DGEEMO C=CCOc1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000457000509 433925561 /nfs/dbraw/zinc/92/55/61/433925561.db2.gz UUPZPBNYMNGIRI-IBGZPJMESA-N 1 1 322.408 3.038 10 30 DGEEMO C#CCCCCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000363725052 434127804 /nfs/dbraw/zinc/12/78/04/434127804.db2.gz PEJYYXYGURXRJL-SLFFLAALSA-N 1 1 324.468 3.207 10 30 DGEEMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328855684 434319560 /nfs/dbraw/zinc/31/95/60/434319560.db2.gz XRSDMYDYKPRLJA-LSDHHAIUSA-N 1 1 309.454 3.497 10 30 DGEEMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358555411 434396594 /nfs/dbraw/zinc/39/65/94/434396594.db2.gz KYGNYSGTEYSUEM-ILXRZTDVSA-N 1 1 303.425 3.468 10 30 DGEEMO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358555411 434396603 /nfs/dbraw/zinc/39/66/03/434396603.db2.gz KYGNYSGTEYSUEM-ILXRZTDVSA-N 1 1 303.425 3.468 10 30 DGEEMO C=C(C)Cn1c([C@@H](C)CC)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000358949496 434408773 /nfs/dbraw/zinc/40/87/73/434408773.db2.gz HGLAVISDFJGZOZ-GOEBONIOSA-N 1 1 317.481 3.041 10 30 DGEEMO CC1(C)CN(c2ccncc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000399429065 434478529 /nfs/dbraw/zinc/47/85/29/434478529.db2.gz IAIYBMUUCLUITH-UHFFFAOYSA-N 1 1 306.413 3.054 10 30 DGEEMO C=CCN1CC[C@@H]([N@H+](C)[C@H](c2ccccc2C)C(C)C)C1=O ZINC000410394063 434646276 /nfs/dbraw/zinc/64/62/76/434646276.db2.gz TZPPBDMUKKUOPA-MSOLQXFVSA-N 1 1 300.446 3.411 10 30 DGEEMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000424294318 434681550 /nfs/dbraw/zinc/68/15/50/434681550.db2.gz KNTBFNDLMYYKAI-MDNKFWRPSA-N 1 1 314.473 3.078 10 30 DGEEMO C#CCCOc1ccc(C[N@H+]2CCC3(CCOCC3)[C@H]2C)cc1 ZINC000371862120 434760783 /nfs/dbraw/zinc/76/07/83/434760783.db2.gz AYPXUGAXNLEQGU-QGZVFWFLSA-N 1 1 313.441 3.480 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](C)[C@H](CO)CC(C)C)cc1OC ZINC000558423214 435087953 /nfs/dbraw/zinc/08/79/53/435087953.db2.gz IIFCJCGLINZKAB-INIZCTEOSA-N 1 1 307.434 3.099 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)NCCc1c(C)cc(C)cc1C ZINC000531650498 435108077 /nfs/dbraw/zinc/10/80/77/435108077.db2.gz DVHOBJJABUXATE-UHFFFAOYSA-N 1 1 302.462 3.169 10 30 DGEEMO C=C[C@@H](CC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000533924530 435260756 /nfs/dbraw/zinc/26/07/56/435260756.db2.gz ABNMOKYNDOGEMF-SJORKVTESA-N 1 1 300.446 3.337 10 30 DGEEMO C=CCN(Cc1cccs1)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000541770578 435646078 /nfs/dbraw/zinc/64/60/78/435646078.db2.gz XRWYERVFVJUYFS-UHFFFAOYSA-N 1 1 315.442 3.038 10 30 DGEEMO Cc1cc(Nc2ccncc2C#N)c[nH+]c1N1CCCC[C@H]1C ZINC000548163146 435675026 /nfs/dbraw/zinc/67/50/26/435675026.db2.gz WZVPBAXWNRKQQM-CQSZACIVSA-N 1 1 307.401 3.201 10 30 DGEEMO Cn1c2ccc(Nc3ccncc3C#N)cc2[nH+]c1C(C)(C)C ZINC000548490853 435698975 /nfs/dbraw/zinc/69/89/75/435698975.db2.gz JHDISDRLOWGTAL-UHFFFAOYSA-N 1 1 305.385 3.303 10 30 DGEEMO C=CCSCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000543755228 341057171 /nfs/dbraw/zinc/05/71/71/341057171.db2.gz SWBLRARBPAHRSP-FUHWJXTLSA-N 1 1 304.503 3.406 10 30 DGEEMO C=C[C@H](CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC)c1ccccc1 ZINC000136939463 341269301 /nfs/dbraw/zinc/26/93/01/341269301.db2.gz BSUPKPVNDIEECR-BHIYHBOVSA-N 1 1 312.457 3.432 10 30 DGEEMO C=CCC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000459054255 534598759 /nfs/dbraw/zinc/59/87/59/534598759.db2.gz SPJKFRCWGMWKFZ-CVEARBPZSA-N 1 1 307.482 3.247 10 30 DGEEMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000158410845 522041097 /nfs/dbraw/zinc/04/10/97/522041097.db2.gz MWZKSEKGDVXCJH-OAHLLOKOSA-N 1 1 312.369 3.376 10 30 DGEEMO N#Cc1ccc(NCC[N@H+]2CCc3c(Cl)cccc3C2)nc1 ZINC000302697193 534794527 /nfs/dbraw/zinc/79/45/27/534794527.db2.gz WNQQPNBMLQJGQL-UHFFFAOYSA-N 1 1 312.804 3.077 10 30 DGEEMO N#Cc1ccc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)nc1 ZINC000302697193 534794530 /nfs/dbraw/zinc/79/45/30/534794530.db2.gz WNQQPNBMLQJGQL-UHFFFAOYSA-N 1 1 312.804 3.077 10 30 DGEEMO C=CCOc1ccc(CN2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1 ZINC000449350493 534883167 /nfs/dbraw/zinc/88/31/67/534883167.db2.gz ZMXCQAKOPOLEHT-INIZCTEOSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCN(C3CC3)C[C@@H](C)C2)cc1 ZINC000449350493 534883169 /nfs/dbraw/zinc/88/31/69/534883169.db2.gz ZMXCQAKOPOLEHT-INIZCTEOSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCN(C3CC3)C[C@@H](C)C2)cc1 ZINC000449350493 534883173 /nfs/dbraw/zinc/88/31/73/534883173.db2.gz ZMXCQAKOPOLEHT-INIZCTEOSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CC[C@@H](C)NC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000488921564 534885512 /nfs/dbraw/zinc/88/55/12/534885512.db2.gz ROIBBPSMBPSZQB-APWZRJJASA-N 1 1 315.461 3.305 10 30 DGEEMO CC#CCC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000360485320 526308858 /nfs/dbraw/zinc/30/88/58/526308858.db2.gz BRILJHVQVVSASZ-XLIONFOSSA-N 1 1 313.489 3.336 10 30 DGEEMO C=CC[N@H+](Cc1ccc(C(=O)OC)cn1)CC1CCCCC1 ZINC000352013526 526332406 /nfs/dbraw/zinc/33/24/06/526332406.db2.gz JKBXLUHLTGFOFW-UHFFFAOYSA-N 1 1 302.418 3.437 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000341483286 526692324 /nfs/dbraw/zinc/69/23/24/526692324.db2.gz KBDYQNXKSCBCAO-SJLPKXTDSA-N 1 1 300.446 3.322 10 30 DGEEMO C=CCOc1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415038511 526865539 /nfs/dbraw/zinc/86/55/39/526865539.db2.gz HVXNTYLCAIMRLS-PKOBYXMFSA-N 1 1 300.446 3.215 10 30 DGEEMO C=CCC(CC=C)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000150842711 527027462 /nfs/dbraw/zinc/02/74/62/527027462.db2.gz SRWQIGGQHBRNBA-UHFFFAOYSA-N 1 1 313.445 3.243 10 30 DGEEMO C#CCOc1ccc(C[NH2+][C@@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000153827487 527105270 /nfs/dbraw/zinc/10/52/70/527105270.db2.gz UPOQRTIJGWKLOH-QGZVFWFLSA-N 1 1 324.428 3.038 10 30 DGEEMO C=CCCC[C@H](C)[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000340944644 527275384 /nfs/dbraw/zinc/27/53/84/527275384.db2.gz AXSWEFNMAZAYPC-AWEZNQCLSA-N 1 1 322.474 3.161 10 30 DGEEMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000444695459 527460244 /nfs/dbraw/zinc/46/02/44/527460244.db2.gz SLAULDRACHFQON-GOSISDBHSA-N 1 1 316.445 3.486 10 30 DGEEMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000444695459 527460253 /nfs/dbraw/zinc/46/02/53/527460253.db2.gz SLAULDRACHFQON-GOSISDBHSA-N 1 1 316.445 3.486 10 30 DGEEMO CCCCCCCCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000158035266 528127844 /nfs/dbraw/zinc/12/78/44/528127844.db2.gz TYKASRPCFQQBGB-LJQANCHMSA-N 1 1 309.542 3.449 10 30 DGEEMO CCCCCCCCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000158035266 528127848 /nfs/dbraw/zinc/12/78/48/528127848.db2.gz TYKASRPCFQQBGB-LJQANCHMSA-N 1 1 309.542 3.449 10 30 DGEEMO COc1cccc2c1CC[N@@H+](CCOc1ccccc1C#N)CC2 ZINC000489481819 536941971 /nfs/dbraw/zinc/94/19/71/536941971.db2.gz NKDQDQDKVLHDQH-UHFFFAOYSA-N 1 1 322.408 3.046 10 30 DGEEMO Clc1ccc(C#CC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000152205770 546000396 /nfs/dbraw/zinc/00/03/96/546000396.db2.gz LMLANDARUHSDPV-GOSISDBHSA-N 1 1 312.800 3.240 10 30 DGEEMO Clc1ccc(C#CC[N@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000152205770 546000401 /nfs/dbraw/zinc/00/04/01/546000401.db2.gz LMLANDARUHSDPV-GOSISDBHSA-N 1 1 312.800 3.240 10 30 DGEEMO N#Cc1cccc(C[NH2+]Cc2nc(-c3ccncc3)cs2)c1 ZINC000733331847 574617120 /nfs/dbraw/zinc/61/71/20/574617120.db2.gz JRHXUBJZMDMPDY-UHFFFAOYSA-N 1 1 306.394 3.367 10 30 DGEEMO CC(C)(C)C[N@@H+](CCCO)Cc1cc(Cl)ccc1OCC#N ZINC000735309626 574696844 /nfs/dbraw/zinc/69/68/44/574696844.db2.gz QPHHZTRRMHUTFF-UHFFFAOYSA-N 1 1 324.852 3.473 10 30 DGEEMO C=CCc1cc(OCC)cc(C[N@@H+](C)C[C@H]2CCCO2)c1O ZINC000151719559 620471865 /nfs/dbraw/zinc/47/18/65/620471865.db2.gz VJYYAHHSTHNNDU-MRXNPFEDSA-N 1 1 305.418 3.130 10 30 DGEEMO CC[N@@H+](Cn1c(C)nnc1-c1cccc(C#N)c1)[C@H](C)C(C)C ZINC000131090451 625942307 /nfs/dbraw/zinc/94/23/07/625942307.db2.gz ZVCGCLHZUTXJEF-CQSZACIVSA-N 1 1 311.433 3.449 10 30 DGEEMO C#CCC(C)(C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000185303584 660214466 /nfs/dbraw/zinc/21/44/66/660214466.db2.gz ZWNKCRTVTNPRED-GOSISDBHSA-N 1 1 312.457 3.207 10 30 DGEEMO C#C[C@H]([NH2+]Cc1snc(OC)c1Br)C(C)(C)C ZINC000702246128 660716883 /nfs/dbraw/zinc/71/68/83/660716883.db2.gz MKJNZTRJPGAMBK-VIFPVBQESA-N 1 1 317.252 3.052 10 30 DGEEMO C[C@H]1CCN(Cc2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000721596851 655861859 /nfs/dbraw/zinc/86/18/59/655861859.db2.gz HFOROJOFFCISTM-KRWDZBQOSA-N 1 1 320.440 3.050 10 30 DGEEMO C#CCCCCC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000162409812 656142932 /nfs/dbraw/zinc/14/29/32/656142932.db2.gz WXLYSYUYYMPQLU-FQEVSTJZSA-N 1 1 312.457 3.351 10 30 DGEEMO Cc1cnc(CC[N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000093807195 656404104 /nfs/dbraw/zinc/40/41/04/656404104.db2.gz DFHSINZZDXXONO-ZDUSSCGKSA-N 1 1 315.442 3.417 10 30 DGEEMO CC[N@@H+](Cc1ccc(SC(=O)N(C)C)cc1)C[C@H](C)C#N ZINC000084071984 662199106 /nfs/dbraw/zinc/19/91/06/662199106.db2.gz RAYQQFROEQNUKC-CYBMUJFWSA-N 1 1 305.447 3.442 10 30 DGEEMO CC[N@H+](Cc1ccc(SC(=O)N(C)C)cc1)C[C@H](C)C#N ZINC000084071984 662199107 /nfs/dbraw/zinc/19/91/07/662199107.db2.gz RAYQQFROEQNUKC-CYBMUJFWSA-N 1 1 305.447 3.442 10 30 DGEEMO C#CCCOc1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000245764991 662240782 /nfs/dbraw/zinc/24/07/82/662240782.db2.gz QLTKIIQPUJTDLT-ICSRJNTNSA-N 1 1 313.441 3.216 10 30 DGEEMO CC[N@H+]1CCC[C@@H]1CNc1cc(Br)ccc1C#N ZINC000123086646 1199352605 /nfs/dbraw/zinc/35/26/05/1199352605.db2.gz RSISDWHCPMZCSX-CYBMUJFWSA-N 1 1 308.223 3.217 10 30 DGEEMO C=CCOc1ccc(C[NH2+][C@@H](C)Cc2cc(C)[nH]n2)cc1OC ZINC000136762786 1201215327 /nfs/dbraw/zinc/21/53/27/1201215327.db2.gz LASHDEFLFUPDOV-ZDUSSCGKSA-N 1 1 315.417 3.012 10 30 DGEEMO C=CCOc1ccc(CNCC[NH+]2CCCCCC2)cc1OC ZINC000237168676 1202652819 /nfs/dbraw/zinc/65/28/19/1202652819.db2.gz OJRIHRGGQBPVFU-UHFFFAOYSA-N 1 1 318.461 3.226 10 30 DGEEMO CN(Cc1ccc(C#N)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310132886 529984165 /nfs/dbraw/zinc/98/41/65/529984165.db2.gz LAUVHCPIYCZATR-IBGZPJMESA-N 1 1 323.415 3.404 10 30 DGEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000070021799 190851746 /nfs/dbraw/zinc/85/17/46/190851746.db2.gz RWCZIPRIOJKRHD-HNNXBMFYSA-N 1 1 314.433 3.083 10 30 DGEEMO CC[N@H+]1CCC[C@@H](Nc2ccc(Br)cc2C#N)C1 ZINC000130435791 432024949 /nfs/dbraw/zinc/02/49/49/432024949.db2.gz UMTHWSOSHMJSJV-CYBMUJFWSA-N 1 1 308.223 3.217 10 30 DGEEMO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1cccc(N2CCCC2=O)c1 ZINC000174308792 198318005 /nfs/dbraw/zinc/31/80/05/198318005.db2.gz ZBALKOBFPREHCR-CYBMUJFWSA-N 1 1 309.369 3.129 10 30 DGEEMO N#Cc1ccc(-c2[nH+]c3ccc(Br)cn3c2N)cc1 ZINC000073160426 191286886 /nfs/dbraw/zinc/28/68/86/191286886.db2.gz QWVFUJDNAUCKDM-UHFFFAOYSA-N 1 1 313.158 3.218 10 30 DGEEMO CCC[N@H+](Cc1ccc(C#N)cc1OC)C[C@H]1CCCCO1 ZINC000121390998 283293591 /nfs/dbraw/zinc/29/35/91/283293591.db2.gz FSGFMTYHIBFTJB-QGZVFWFLSA-N 1 1 302.418 3.348 10 30 DGEEMO C=C(C)CN(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179463704 199040151 /nfs/dbraw/zinc/04/01/51/199040151.db2.gz OZMLKZDUBITLET-IAGOWNOFSA-N 1 1 301.434 3.039 10 30 DGEEMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)ccc1F ZINC000281398203 216272087 /nfs/dbraw/zinc/27/20/87/216272087.db2.gz NHPQDODYGXHJOU-NXHRZFHOSA-N 1 1 302.393 3.213 10 30 DGEEMO N#Cc1ccc(NC(=O)C[N@H+]2CCCC23CCC3)cc1Cl ZINC000444787264 239354566 /nfs/dbraw/zinc/35/45/66/239354566.db2.gz QRONVGHANGYXMX-UHFFFAOYSA-N 1 1 303.793 3.169 10 30 DGEEMO C[N@@H+](Cc1ccccc1)CC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000093006787 193193171 /nfs/dbraw/zinc/19/31/71/193193171.db2.gz FLJXGOYGSZZANH-UHFFFAOYSA-N 1 1 323.440 3.495 10 30 DGEEMO C[N@H+](Cc1ccccc1)CC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000093006787 193193173 /nfs/dbraw/zinc/19/31/73/193193173.db2.gz FLJXGOYGSZZANH-UHFFFAOYSA-N 1 1 323.440 3.495 10 30 DGEEMO CCc1ccc(C[NH+]2CCN(Cc3ccc(C#N)o3)CC2)s1 ZINC000093015249 193194746 /nfs/dbraw/zinc/19/47/46/193194746.db2.gz WPKSHNWGQUYHHF-UHFFFAOYSA-N 1 1 315.442 3.093 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190192659 432131917 /nfs/dbraw/zinc/13/19/17/432131917.db2.gz JBLZJTODFUFYFY-CYBMUJFWSA-N 1 1 320.399 3.321 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190192659 432131920 /nfs/dbraw/zinc/13/19/20/432131920.db2.gz JBLZJTODFUFYFY-CYBMUJFWSA-N 1 1 320.399 3.321 10 30 DGEEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000105897138 194161624 /nfs/dbraw/zinc/16/16/24/194161624.db2.gz WTUSABCCTOHNHI-MRXNPFEDSA-N 1 1 312.392 3.293 10 30 DGEEMO Cc1[nH+]ccn1CCCN(C)c1nc(C(F)(F)F)ccc1C#N ZINC000120223516 195122129 /nfs/dbraw/zinc/12/21/29/195122129.db2.gz FSMMVUOKXKKETA-UHFFFAOYSA-N 1 1 323.322 3.004 10 30 DGEEMO Cc1cc(C#N)cc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000342792061 254051128 /nfs/dbraw/zinc/05/11/28/254051128.db2.gz SCTOOHGIBFEEQE-LJQANCHMSA-N 1 1 320.440 3.363 10 30 DGEEMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000120766546 195234229 /nfs/dbraw/zinc/23/42/29/195234229.db2.gz ONHSBZVMRLNXAC-OAHLLOKOSA-N 1 1 313.426 3.403 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000581888211 400083222 /nfs/dbraw/zinc/08/32/22/400083222.db2.gz VUOYDRDIGGQKKC-APWZRJJASA-N 1 1 300.446 3.370 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC ZINC000092510204 400177524 /nfs/dbraw/zinc/17/75/24/400177524.db2.gz NUHDCDKUABSZCV-QGZVFWFLSA-N 1 1 316.445 3.084 10 30 DGEEMO C[N@H+](Cc1cc(Br)cs1)Cc1ccnc(C#N)c1 ZINC000068766239 400285710 /nfs/dbraw/zinc/28/57/10/400285710.db2.gz KBAWFERUJJJUIH-UHFFFAOYSA-N 1 1 322.231 3.409 10 30 DGEEMO C[N@@H+](Cc1cc(Br)cs1)Cc1ccnc(C#N)c1 ZINC000068766239 400285718 /nfs/dbraw/zinc/28/57/18/400285718.db2.gz KBAWFERUJJJUIH-UHFFFAOYSA-N 1 1 322.231 3.409 10 30 DGEEMO C=CCCC1(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CCCC1 ZINC000617417756 400385172 /nfs/dbraw/zinc/38/51/72/400385172.db2.gz FODSAWHUVKNNHW-INIZCTEOSA-N 1 1 315.461 3.397 10 30 DGEEMO CC[C@H](C#N)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000601728977 400341374 /nfs/dbraw/zinc/34/13/74/400341374.db2.gz RXCQCUQZUUUXEB-MSOLQXFVSA-N 1 1 313.445 3.097 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1 ZINC000042328578 400429262 /nfs/dbraw/zinc/42/92/62/400429262.db2.gz DLVNPOCZVGQVSC-CQSZACIVSA-N 1 1 306.837 3.361 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000042328578 400429263 /nfs/dbraw/zinc/42/92/63/400429263.db2.gz DLVNPOCZVGQVSC-CQSZACIVSA-N 1 1 306.837 3.361 10 30 DGEEMO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000044894274 400505821 /nfs/dbraw/zinc/50/58/21/400505821.db2.gz RYISUFNRXWVNNJ-SJCJKPOMSA-N 1 1 319.836 3.141 10 30 DGEEMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000044894274 400505827 /nfs/dbraw/zinc/50/58/27/400505827.db2.gz RYISUFNRXWVNNJ-SJCJKPOMSA-N 1 1 319.836 3.141 10 30 DGEEMO C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000614242825 400861538 /nfs/dbraw/zinc/86/15/38/400861538.db2.gz YNAOJAXMFOLGOO-INIZCTEOSA-N 1 1 309.413 3.120 10 30 DGEEMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000620304008 401050382 /nfs/dbraw/zinc/05/03/82/401050382.db2.gz MTDJQAYICZESDA-KSZLIROESA-N 1 1 302.462 3.493 10 30 DGEEMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000620312986 401053564 /nfs/dbraw/zinc/05/35/64/401053564.db2.gz SAIYANLLSVAQJM-OTWHNJEPSA-N 1 1 310.441 3.361 10 30 DGEEMO C=CCCC[N@H+](C)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000246843775 401038247 /nfs/dbraw/zinc/03/82/47/401038247.db2.gz VDBVVJFFLWOXSJ-MJGOQNOKSA-N 1 1 303.446 3.340 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000600184919 401212560 /nfs/dbraw/zinc/21/25/60/401212560.db2.gz IQGYPQQPQGVQPG-LBPRGKRZSA-N 1 1 306.362 3.010 10 30 DGEEMO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000625701835 401185505 /nfs/dbraw/zinc/18/55/05/401185505.db2.gz BYXKHZRPDCRBIN-GFCCVEGCSA-N 1 1 301.415 3.133 10 30 DGEEMO C=CC[C@H]1CC[N@@H+](Cc2noc(-c3ccc(F)cc3F)n2)C1 ZINC000625702078 401186109 /nfs/dbraw/zinc/18/61/09/401186109.db2.gz MVJJWADKRJQUTM-NSHDSACASA-N 1 1 305.328 3.413 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2noc(-c3ccc(F)cc3F)n2)C1 ZINC000625702078 401186117 /nfs/dbraw/zinc/18/61/17/401186117.db2.gz MVJJWADKRJQUTM-NSHDSACASA-N 1 1 305.328 3.413 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000625702715 401186137 /nfs/dbraw/zinc/18/61/37/401186137.db2.gz GXFHDWPMBBQGJL-LBPRGKRZSA-N 1 1 317.414 3.240 10 30 DGEEMO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000625702715 401186143 /nfs/dbraw/zinc/18/61/43/401186143.db2.gz GXFHDWPMBBQGJL-LBPRGKRZSA-N 1 1 317.414 3.240 10 30 DGEEMO C=CC[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(SC)cc2)C1 ZINC000625701899 401186434 /nfs/dbraw/zinc/18/64/34/401186434.db2.gz LZDBKAXWTNTPEZ-LSDHHAIUSA-N 1 1 307.459 3.046 10 30 DGEEMO C=CC[C@@H]1CC[N@@H+](Cc2noc(-c3ccc(F)cc3F)n2)C1 ZINC000625702076 401186629 /nfs/dbraw/zinc/18/66/29/401186629.db2.gz MVJJWADKRJQUTM-LLVKDONJSA-N 1 1 305.328 3.413 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2noc(-c3ccc(F)cc3F)n2)C1 ZINC000625702076 401186636 /nfs/dbraw/zinc/18/66/36/401186636.db2.gz MVJJWADKRJQUTM-LLVKDONJSA-N 1 1 305.328 3.413 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000625701679 401186709 /nfs/dbraw/zinc/18/67/09/401186709.db2.gz RGGNAPGGKJNBBP-LBPRGKRZSA-N 1 1 312.866 3.258 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)N(C)c2nc3ccccc3s2)C1 ZINC000625704561 401187527 /nfs/dbraw/zinc/18/75/27/401187527.db2.gz ONQFENAMRXXYKS-ZDUSSCGKSA-N 1 1 315.442 3.157 10 30 DGEEMO C=CC[C@@H]1CC[N@@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000625705258 401187925 /nfs/dbraw/zinc/18/79/25/401187925.db2.gz TUIDMRQERODGMW-LLVKDONJSA-N 1 1 303.793 3.387 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000625705258 401187934 /nfs/dbraw/zinc/18/79/34/401187934.db2.gz TUIDMRQERODGMW-LLVKDONJSA-N 1 1 303.793 3.387 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2nc(-c3ccc(C)c(OC)c3)no2)C1 ZINC000625703391 401188279 /nfs/dbraw/zinc/18/82/79/401188279.db2.gz KPTMLBIVZSSHAQ-AWEZNQCLSA-N 1 1 313.401 3.452 10 30 DGEEMO CC[N@@H+](C[C@@H](O)COC(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000065432987 401265587 /nfs/dbraw/zinc/26/55/87/401265587.db2.gz HXKSBTCRYDBXBN-RHSMWYFYSA-N 1 1 304.434 3.117 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCOc1ccc(C)cc1 ZINC000623051259 401459012 /nfs/dbraw/zinc/45/90/12/401459012.db2.gz RILFKSVEAAZTOK-KRWDZBQOSA-N 1 1 318.461 3.119 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000623388597 401506408 /nfs/dbraw/zinc/50/64/08/401506408.db2.gz OEMCBTGESNINOB-KRWDZBQOSA-N 1 1 315.461 3.116 10 30 DGEEMO C=C(CC)CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000627685363 401484591 /nfs/dbraw/zinc/48/45/91/401484591.db2.gz QZOGLFLGXPGEIS-RBUKOAKNSA-N 1 1 312.457 3.227 10 30 DGEEMO C=CC(C)(C)CCNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000628314182 401574656 /nfs/dbraw/zinc/57/46/56/401574656.db2.gz PJEBHIJPDZMRDA-UHFFFAOYSA-N 1 1 300.446 3.153 10 30 DGEEMO C=CC[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C1 ZINC000628405379 401591790 /nfs/dbraw/zinc/59/17/90/401591790.db2.gz KKMKXUAHWSXDRJ-ZDUSSCGKSA-N 1 1 311.385 3.203 10 30 DGEEMO C=CCOc1c(Cl)cc(C[N@@H+](C)[C@@H]2CCOC2)cc1OC ZINC000628163599 401540226 /nfs/dbraw/zinc/54/02/26/401540226.db2.gz KICDUCXSNGUEMR-CYBMUJFWSA-N 1 1 311.809 3.134 10 30 DGEEMO C=C(C)COCCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624038464 401616997 /nfs/dbraw/zinc/61/69/97/401616997.db2.gz ITWOSOQUJZIMRR-UHFFFAOYSA-N 1 1 310.401 3.001 10 30 DGEEMO C=CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC000628964731 401651110 /nfs/dbraw/zinc/65/11/10/401651110.db2.gz GVVAHVFMSWECEV-OALUTQOASA-N 1 1 312.457 3.479 10 30 DGEEMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246904721 432179827 /nfs/dbraw/zinc/17/98/27/432179827.db2.gz HCQZPQDVYFPYPV-CJNGLKHVSA-N 1 1 309.369 3.315 10 30 DGEEMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H]1c1ccco1 ZINC000246904721 432179829 /nfs/dbraw/zinc/17/98/29/432179829.db2.gz HCQZPQDVYFPYPV-CJNGLKHVSA-N 1 1 309.369 3.315 10 30 DGEEMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000246969988 432187278 /nfs/dbraw/zinc/18/72/78/432187278.db2.gz RTVQBKQHTQTRDY-KGLIPLIRSA-N 1 1 321.490 3.137 10 30 DGEEMO C=CCC[C@H](O)C[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000247383473 432226134 /nfs/dbraw/zinc/22/61/34/432226134.db2.gz LGLYGZSKFRAOEI-ZIFCJYIRSA-N 1 1 303.446 3.392 10 30 DGEEMO Cn1cc([C@H]2CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)cn1 ZINC000128419826 227008648 /nfs/dbraw/zinc/00/86/48/227008648.db2.gz JEZBVZKZNXAVHN-KRWDZBQOSA-N 1 1 324.428 3.092 10 30 DGEEMO N#Cc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000374760688 268261811 /nfs/dbraw/zinc/26/18/11/268261811.db2.gz MVMLEQOTGOHBNW-MOPGFXCFSA-N 1 1 318.424 3.197 10 30 DGEEMO N#Cc1ncccc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000377993114 268327136 /nfs/dbraw/zinc/32/71/36/268327136.db2.gz RWBFIEYQUCFCDO-MSOLQXFVSA-N 1 1 318.424 3.197 10 30 DGEEMO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)o1 ZINC000183071597 432256199 /nfs/dbraw/zinc/25/61/99/432256199.db2.gz NQQBKGNANPLXJP-NSHDSACASA-N 1 1 317.414 3.427 10 30 DGEEMO CO[C@H](C)c1cccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000328769419 274076172 /nfs/dbraw/zinc/07/61/72/274076172.db2.gz ILPDSJYSRLEQMY-XOKHGSTOSA-N 1 1 317.433 3.156 10 30 DGEEMO C=CC[N@H+](CCOCC(F)(F)F)Cc1cccc([N+](=O)[O-])c1 ZINC000068825489 431143683 /nfs/dbraw/zinc/14/36/83/431143683.db2.gz DSZBNCSNQSJBRH-UHFFFAOYSA-N 1 1 318.295 3.162 10 30 DGEEMO N#CCC[C@H](C#N)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000112560569 431285108 /nfs/dbraw/zinc/28/51/08/431285108.db2.gz PDOVUXIYBWQKRP-GOSISDBHSA-N 1 1 322.456 3.205 10 30 DGEEMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116288758 431500419 /nfs/dbraw/zinc/50/04/19/431500419.db2.gz CSPGVDZJTGHFJR-MRXNPFEDSA-N 1 1 309.369 3.317 10 30 DGEEMO N#Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@@H]3c3ccco3)C2=O)cc1 ZINC000116288030 431501002 /nfs/dbraw/zinc/50/10/02/431501002.db2.gz XGITVPMJQNKGGG-IAGOWNOFSA-N 1 1 321.380 3.094 10 30 DGEEMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@@H]3c3ccco3)C2=O)cc1 ZINC000116288030 431501007 /nfs/dbraw/zinc/50/10/07/431501007.db2.gz XGITVPMJQNKGGG-IAGOWNOFSA-N 1 1 321.380 3.094 10 30 DGEEMO COc1cc(C#N)ccc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000121053616 431741939 /nfs/dbraw/zinc/74/19/39/431741939.db2.gz FRCBHWWAXXDNMF-SFHVURJKSA-N 1 1 314.429 3.490 10 30 DGEEMO COc1cc(C[NH2+][C@H]2CCC[C@@H]2C#N)c(SC)cc1OC ZINC000086506749 431845886 /nfs/dbraw/zinc/84/58/86/431845886.db2.gz PICMAKMHPFIHNI-YPMHNXCESA-N 1 1 306.431 3.208 10 30 DGEEMO Cc1ccc(N2CCC(NC(=O)[C@@]3(C)CCCOC3)CC2)[nH+]c1 ZINC000329712205 280862938 /nfs/dbraw/zinc/86/29/38/280862938.db2.gz PSMPWOGZVJSOCU-SFHVURJKSA-N 1 1 317.433 3.132 10 30 DGEEMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccccc1F ZINC000126244392 431945123 /nfs/dbraw/zinc/94/51/23/431945123.db2.gz YKDUHLMTICLGOK-UHFFFAOYSA-N 1 1 312.388 3.495 10 30 DGEEMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccccc1F ZINC000126244392 431945126 /nfs/dbraw/zinc/94/51/26/431945126.db2.gz YKDUHLMTICLGOK-UHFFFAOYSA-N 1 1 312.388 3.495 10 30 DGEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000248392319 432285410 /nfs/dbraw/zinc/28/54/10/432285410.db2.gz FHJYRAKSUMBDAI-JQHSSLGASA-N 1 1 313.445 3.036 10 30 DGEEMO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC000057877367 431994171 /nfs/dbraw/zinc/99/41/71/431994171.db2.gz OMEPQDCGOPPQNS-MRXNPFEDSA-N 1 1 313.445 3.048 10 30 DGEEMO CN(CC[N@@H+](C)Cc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000173190663 432262886 /nfs/dbraw/zinc/26/28/86/432262886.db2.gz NMTYVZBWCUBPSK-UHFFFAOYSA-N 1 1 311.404 3.261 10 30 DGEEMO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000173190663 432262900 /nfs/dbraw/zinc/26/29/00/432262900.db2.gz NMTYVZBWCUBPSK-UHFFFAOYSA-N 1 1 311.404 3.261 10 30 DGEEMO C(#Cc1ccccc1)C[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000248911647 432330037 /nfs/dbraw/zinc/33/00/37/432330037.db2.gz YDOTZKIUXLOLKY-ZWKOTPCHSA-N 1 1 301.455 3.025 10 30 DGEEMO C[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000174008051 432313564 /nfs/dbraw/zinc/31/35/64/432313564.db2.gz ZYEXPCWFJGZSNW-RYUDHWBXSA-N 1 1 305.809 3.271 10 30 DGEEMO C[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000174008051 432313566 /nfs/dbraw/zinc/31/35/66/432313566.db2.gz ZYEXPCWFJGZSNW-RYUDHWBXSA-N 1 1 305.809 3.271 10 30 DGEEMO C=C[C@@H](CC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000252801403 432389009 /nfs/dbraw/zinc/38/90/09/432389009.db2.gz JLODSMFXIKDROA-FUHWJXTLSA-N 1 1 300.446 3.289 10 30 DGEEMO CC#CCCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000185303612 432488659 /nfs/dbraw/zinc/48/86/59/432488659.db2.gz DXZUJTIVUGGMQD-IBGZPJMESA-N 1 1 312.457 3.351 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000185838133 432537528 /nfs/dbraw/zinc/53/75/28/432537528.db2.gz ANBCEPVDQXVDGK-XYJFISCASA-N 1 1 300.446 3.368 10 30 DGEEMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000156042292 432585343 /nfs/dbraw/zinc/58/53/43/432585343.db2.gz BIKXSIFBVNKFMF-UIAACRFSSA-N 1 1 322.408 3.054 10 30 DGEEMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000156042292 432585347 /nfs/dbraw/zinc/58/53/47/432585347.db2.gz BIKXSIFBVNKFMF-UIAACRFSSA-N 1 1 322.408 3.054 10 30 DGEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177171586 432593782 /nfs/dbraw/zinc/59/37/82/432593782.db2.gz CSZAMPNLSKHZHA-RHSMWYFYSA-N 1 1 322.374 3.225 10 30 DGEEMO N#Cc1ccc2ncc(C[N@H+]3CC=C(c4ccccc4)CC3)n2c1 ZINC000159752931 432695891 /nfs/dbraw/zinc/69/58/91/432695891.db2.gz CSICXMUXDXSIJH-UHFFFAOYSA-N 1 1 314.392 3.495 10 30 DGEEMO N#Cc1ccc2ncc(C[N@@H+]3CC=C(c4ccccc4)CC3)n2c1 ZINC000159752931 432695895 /nfs/dbraw/zinc/69/58/95/432695895.db2.gz CSICXMUXDXSIJH-UHFFFAOYSA-N 1 1 314.392 3.495 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160022345 432704368 /nfs/dbraw/zinc/70/43/68/432704368.db2.gz AORWMRQMIXZXBM-WMZOPIPTSA-N 1 1 315.461 3.257 10 30 DGEEMO C=CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000188225166 432713018 /nfs/dbraw/zinc/71/30/18/432713018.db2.gz UYPRYXQTSFBOIN-SZMVWBNQSA-N 1 1 300.446 3.287 10 30 DGEEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc(O[C@H](C)C#N)cc3)C2)c1 ZINC000245770243 432861964 /nfs/dbraw/zinc/86/19/64/432861964.db2.gz ROMXXRKEXKTKDV-SJLPKXTDSA-N 1 1 324.428 3.320 10 30 DGEEMO CC[C@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CCN1CC(F)F ZINC000245711844 432858117 /nfs/dbraw/zinc/85/81/17/432858117.db2.gz FOFCAIFPQICGPK-CJNGLKHVSA-N 1 1 307.388 3.281 10 30 DGEEMO CC[C@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCN1CC(F)F ZINC000245711844 432858119 /nfs/dbraw/zinc/85/81/19/432858119.db2.gz FOFCAIFPQICGPK-CJNGLKHVSA-N 1 1 307.388 3.281 10 30 DGEEMO C=C(C)[C@@H]([NH2+]Cc1cnc(OC)nc1C)c1ccc(F)c(F)c1 ZINC000337202340 433213801 /nfs/dbraw/zinc/21/38/01/433213801.db2.gz GTAVPNWLJYABRC-MRXNPFEDSA-N 1 1 319.355 3.479 10 30 DGEEMO C=CCC[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374826889 433286090 /nfs/dbraw/zinc/28/60/90/433286090.db2.gz ZCKOUQNQTHNNRV-OAHLLOKOSA-N 1 1 316.449 3.294 10 30 DGEEMO C=CCCCNC(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000447968605 433336380 /nfs/dbraw/zinc/33/63/80/433336380.db2.gz QPYRDZFEQFNSFQ-GOSISDBHSA-N 1 1 315.461 3.089 10 30 DGEEMO CCC[N@H+]1CCCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301401081 433540085 /nfs/dbraw/zinc/54/00/85/433540085.db2.gz QDICGJYQGUGMGJ-UHFFFAOYSA-N 1 1 311.351 3.499 10 30 DGEEMO C=CCCCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000351639587 433633639 /nfs/dbraw/zinc/63/36/39/433633639.db2.gz QJJWVOCARZNDRY-IRXDYDNUSA-N 1 1 301.434 3.087 10 30 DGEEMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2c2ccnn2C)cc1 ZINC000376672859 433796064 /nfs/dbraw/zinc/79/60/64/433796064.db2.gz OZWZHVYPBIDTMH-KXBFYZLASA-N 1 1 324.428 3.438 10 30 DGEEMO C=CC[C@H](CC)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000346178570 434175875 /nfs/dbraw/zinc/17/58/75/434175875.db2.gz QINSWFLEOJZXFQ-ULQDDVLXSA-N 1 1 301.434 3.086 10 30 DGEEMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)CCC1 ZINC000364375195 434268774 /nfs/dbraw/zinc/26/87/74/434268774.db2.gz OMDRIYKDARFWJJ-IRXDYDNUSA-N 1 1 316.420 3.434 10 30 DGEEMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)CCC1 ZINC000364375195 434268781 /nfs/dbraw/zinc/26/87/81/434268781.db2.gz OMDRIYKDARFWJJ-IRXDYDNUSA-N 1 1 316.420 3.434 10 30 DGEEMO CC(=O)Nc1ccn([C@@H]2CC[N@@H+](C/C=C/c3ccccc3)C2)n1 ZINC000328630818 434290432 /nfs/dbraw/zinc/29/04/32/434290432.db2.gz QFVBNQGZOXERBY-ZGRWHYIRSA-N 1 1 310.401 3.451 10 30 DGEEMO C[N@H+]1CC[C@@H](CNC(=O)Cc2cccs2)[C@@H]1c1cccnc1 ZINC000328628550 434292232 /nfs/dbraw/zinc/29/22/32/434292232.db2.gz NVSNGZZDGBIMTD-YOEHRIQHSA-N 1 1 315.442 3.335 10 30 DGEEMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)C1 ZINC000328830129 434317720 /nfs/dbraw/zinc/31/77/20/434317720.db2.gz KKNMMNLQXBIRAE-HYVNUMGLSA-N 1 1 321.428 3.343 10 30 DGEEMO C[C@@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358571699 434399690 /nfs/dbraw/zinc/39/96/90/434399690.db2.gz PITFLNSDIJAIRP-QLFBSQMISA-N 1 1 303.425 3.468 10 30 DGEEMO C[C@@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358571699 434399700 /nfs/dbraw/zinc/39/97/00/434399700.db2.gz PITFLNSDIJAIRP-QLFBSQMISA-N 1 1 303.425 3.468 10 30 DGEEMO Cn1cc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2ccccc2)cc1C#N ZINC000367490927 434549203 /nfs/dbraw/zinc/54/92/03/434549203.db2.gz YQEOATJOMBKYAI-UYAOXDASSA-N 1 1 322.456 3.069 10 30 DGEEMO Cn1cc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccccc2)cc1C#N ZINC000367490927 434549212 /nfs/dbraw/zinc/54/92/12/434549212.db2.gz YQEOATJOMBKYAI-UYAOXDASSA-N 1 1 322.456 3.069 10 30 DGEEMO Cn1cc(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2ccccc2)cc1C#N ZINC000367490927 434549218 /nfs/dbraw/zinc/54/92/18/434549218.db2.gz YQEOATJOMBKYAI-UYAOXDASSA-N 1 1 322.456 3.069 10 30 DGEEMO C[C@H]1CCOCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000367645585 434552378 /nfs/dbraw/zinc/55/23/78/434552378.db2.gz MSXOOKLQCPYCSD-ZDUSSCGKSA-N 1 1 313.319 3.048 10 30 DGEEMO C[C@H]1CCOCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000367645585 434552382 /nfs/dbraw/zinc/55/23/82/434552382.db2.gz MSXOOKLQCPYCSD-ZDUSSCGKSA-N 1 1 313.319 3.048 10 30 DGEEMO CC(=O)c1ccc2c(c1)CC[N@@H+](CC#Cc1ccccc1)CC2 ZINC000370631173 434616788 /nfs/dbraw/zinc/61/67/88/434616788.db2.gz LWYPUXWHDNHRRX-UHFFFAOYSA-N 1 1 303.405 3.342 10 30 DGEEMO CC(=O)c1ccc2c(c1)CC[N@H+](CC#Cc1ccccc1)CC2 ZINC000370631173 434616794 /nfs/dbraw/zinc/61/67/94/434616794.db2.gz LWYPUXWHDNHRRX-UHFFFAOYSA-N 1 1 303.405 3.342 10 30 DGEEMO C=C(C)CN(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000371062179 434636598 /nfs/dbraw/zinc/63/65/98/434636598.db2.gz AUNNQHAZQYTWRP-SJORKVTESA-N 1 1 319.424 3.179 10 30 DGEEMO C=C(C)CN(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000371062179 434636602 /nfs/dbraw/zinc/63/66/02/434636602.db2.gz AUNNQHAZQYTWRP-SJORKVTESA-N 1 1 319.424 3.179 10 30 DGEEMO C=CCn1cc(C[NH2+]C/C(C)=C\c2ccc(Cl)cc2)nn1 ZINC000424174447 434646173 /nfs/dbraw/zinc/64/61/73/434646173.db2.gz RXPYBGQTOFTTIH-LCYFTJDESA-N 1 1 302.809 3.311 10 30 DGEEMO C=CCn1cc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)nn1 ZINC000424294080 434681866 /nfs/dbraw/zinc/68/18/66/434681866.db2.gz JTKFHAJSXKZGJC-INIZCTEOSA-N 1 1 302.809 3.358 10 30 DGEEMO C=CCn1cc(C[NH2+][C@@H](c2ccc(F)c(F)c2)C(C)C)nn1 ZINC000424295134 434682557 /nfs/dbraw/zinc/68/25/57/434682557.db2.gz MGZGWAMJWZQHNT-MRXNPFEDSA-N 1 1 306.360 3.229 10 30 DGEEMO C=CCCO[C@@H](C)C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000371566938 434732445 /nfs/dbraw/zinc/73/24/45/434732445.db2.gz XZNQOCNXFMRGGN-ZDUSSCGKSA-N 1 1 300.402 3.084 10 30 DGEEMO C=CCN1CCC([NH2+][C@H](C)c2cc(-c3ccccc3)n(C)n2)CC1 ZINC000527860791 435016162 /nfs/dbraw/zinc/01/61/62/435016162.db2.gz XUEYGLSDOARFPK-MRXNPFEDSA-N 1 1 324.472 3.388 10 30 DGEEMO C=C(C)[C@H](CC(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1)OCC ZINC000580655676 435236754 /nfs/dbraw/zinc/23/67/54/435236754.db2.gz FGGYATRVFCYTOO-KRWDZBQOSA-N 1 1 322.493 3.152 10 30 DGEEMO C=CCOc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000535809801 435357510 /nfs/dbraw/zinc/35/75/10/435357510.db2.gz JDMPARIFEJYGAV-MSOLQXFVSA-N 1 1 301.430 3.500 10 30 DGEEMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1nnc2ccccn21 ZINC000570140577 435592222 /nfs/dbraw/zinc/59/22/22/435592222.db2.gz MFTDOZHZEKKOMO-KRWDZBQOSA-N 1 1 317.396 3.158 10 30 DGEEMO CC[N@@H+](CCC1CCN(c2ccncc2C#N)CC1)CC1CC1 ZINC000548490562 435698212 /nfs/dbraw/zinc/69/82/12/435698212.db2.gz VWVAJFNBQGBHDI-UHFFFAOYSA-N 1 1 312.461 3.292 10 30 DGEEMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNc3ccncc3C#N)cc2)C1 ZINC000547825776 314399660 /nfs/dbraw/zinc/39/96/60/314399660.db2.gz MFHMXDNSFNVTRA-MRXNPFEDSA-N 1 1 320.440 3.219 10 30 DGEEMO C=C(C)CN(Cc1ccccc1)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000525939830 337288260 /nfs/dbraw/zinc/28/82/60/337288260.db2.gz MEVMIMUEMDIJCC-UHFFFAOYSA-N 1 1 323.440 3.367 10 30 DGEEMO N#Cc1cc(-c2c[nH]c3[nH+]ccc(N4CCOCC4)c23)ccc1F ZINC000584598760 337370642 /nfs/dbraw/zinc/37/06/42/337370642.db2.gz HUQNAROHORAZFW-UHFFFAOYSA-N 1 1 322.343 3.077 10 30 DGEEMO CC(C)([NH2+]CC#Cc1ccccc1)C(=O)NCC1CCCCC1 ZINC000192141365 340562933 /nfs/dbraw/zinc/56/29/33/340562933.db2.gz XLOCSVCDLLQTED-UHFFFAOYSA-N 1 1 312.457 3.103 10 30 DGEEMO C=CCN(Cc1cccs1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000132333022 341120959 /nfs/dbraw/zinc/12/09/59/341120959.db2.gz JXETYRVQAUKDRO-ZBFHGGJFSA-N 1 1 321.490 3.174 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000547424715 341212377 /nfs/dbraw/zinc/21/23/77/341212377.db2.gz YUZRVZUQNPUVLJ-UHFFFAOYSA-N 1 1 317.429 3.023 10 30 DGEEMO C=C[C@H](CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC)c1ccccc1 ZINC000136939503 341269267 /nfs/dbraw/zinc/26/92/67/341269267.db2.gz BSUPKPVNDIEECR-NZSAHSFTSA-N 1 1 312.457 3.432 10 30 DGEEMO C=CCC[C@H](O)C[N@H+](CCC)Cc1cccc(OC)c1OC ZINC000036097252 518724466 /nfs/dbraw/zinc/72/44/66/518724466.db2.gz GCDOSSCLMHZMOJ-INIZCTEOSA-N 1 1 307.434 3.243 10 30 DGEEMO CC#CCC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000360485319 526308579 /nfs/dbraw/zinc/30/85/79/526308579.db2.gz BRILJHVQVVSASZ-PXNSSMCTSA-N 1 1 313.489 3.336 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443329728 526536242 /nfs/dbraw/zinc/53/62/42/526536242.db2.gz BUAGNGGVKBDILY-MRXNPFEDSA-N 1 1 322.493 3.223 10 30 DGEEMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H]1CCO[C@@H](CC)C1 ZINC000348639805 526560365 /nfs/dbraw/zinc/56/03/65/526560365.db2.gz ZMCGMXJNRCGPHU-HOTGVXAUSA-N 1 1 307.434 3.355 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)NC)cc1 ZINC000348839811 526865520 /nfs/dbraw/zinc/86/55/20/526865520.db2.gz YFAIJFDKNNXHLC-QGZVFWFLSA-N 1 1 316.445 3.132 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1OC ZINC000355135138 526867195 /nfs/dbraw/zinc/86/71/95/526867195.db2.gz NTOUANOYMZWDHU-SJORKVTESA-N 1 1 317.429 3.261 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000353669486 526871455 /nfs/dbraw/zinc/87/14/55/526871455.db2.gz COGYFFHAICOPGC-HXUWFJFHSA-N 1 1 309.409 3.343 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000352372031 526932484 /nfs/dbraw/zinc/93/24/84/526932484.db2.gz OBEYTVNPZJGFKI-INIZCTEOSA-N 1 1 311.429 3.365 10 30 DGEEMO C=CCOc1ccccc1C[NH+]1CCN(c2cnccc2C)CC1 ZINC000343639675 526933975 /nfs/dbraw/zinc/93/39/75/526933975.db2.gz OITUFBLRVAUYGN-UHFFFAOYSA-N 1 1 323.440 3.277 10 30 DGEEMO C=CCCCN(C)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000342476307 527187325 /nfs/dbraw/zinc/18/73/25/527187325.db2.gz PWGXTEMSFVDWFY-SFHVURJKSA-N 1 1 300.446 3.466 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000076801824 527192629 /nfs/dbraw/zinc/19/26/29/527192629.db2.gz CAJIDHRUYOPSJX-UHFFFAOYSA-N 1 1 312.816 3.336 10 30 DGEEMO COc1cccc2c1CC[N@@H+](Cc1cccc(C#N)c1F)CC2 ZINC000489532274 536942062 /nfs/dbraw/zinc/94/20/62/536942062.db2.gz IDTZDRBERUHSPX-UHFFFAOYSA-N 1 1 310.372 3.307 10 30 DGEEMO C#Cc1cccc(NC(=S)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000741493135 574557791 /nfs/dbraw/zinc/55/77/91/574557791.db2.gz ROMUXSIQEMGIOC-RHSMWYFYSA-N 1 1 315.486 3.027 10 30 DGEEMO C=CCc1ccc(OC(=O)[C@H](CC)[NH+](CC)CC)c(OC)c1 ZINC000735994975 574726502 /nfs/dbraw/zinc/72/65/02/574726502.db2.gz VIHUOSGLAKVNJR-HNNXBMFYSA-N 1 1 305.418 3.450 10 30 DGEEMO C=C(C)CNC(=S)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000741500518 574960261 /nfs/dbraw/zinc/96/02/61/574960261.db2.gz ZCGFKRLGXUNTSS-UKRRQHHQSA-N 1 1 323.531 3.171 10 30 DGEEMO CC(C)C[N@H+]1CCC[C@@H]1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000130760161 625897195 /nfs/dbraw/zinc/89/71/95/625897195.db2.gz KDZYALKVVLSEFK-SJLPKXTDSA-N 1 1 315.461 3.187 10 30 DGEEMO CC(C)CN1CCC[C@@H]1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000130760161 625897200 /nfs/dbraw/zinc/89/72/00/625897200.db2.gz KDZYALKVVLSEFK-SJLPKXTDSA-N 1 1 315.461 3.187 10 30 DGEEMO C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000290991789 655734486 /nfs/dbraw/zinc/73/44/86/655734486.db2.gz ZWKKGAUSNFKMRN-WMZOPIPTSA-N 1 1 300.446 3.322 10 30 DGEEMO COc1cccc2c1ncc(C#N)c2NCCCn1cc[nH+]c1C ZINC000223152445 658964695 /nfs/dbraw/zinc/96/46/95/658964695.db2.gz QNCDFFJLJYIHPB-UHFFFAOYSA-N 1 1 321.384 3.122 10 30 DGEEMO CCN1CC[C@H]([N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)[C@H](C)C1 ZINC000093638961 662357541 /nfs/dbraw/zinc/35/75/41/662357541.db2.gz NRMLCKCUYBSXSU-GJYPPUQNSA-N 1 1 315.461 3.140 10 30 DGEEMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)[C@H](C)C1 ZINC000093638961 662357544 /nfs/dbraw/zinc/35/75/44/662357544.db2.gz NRMLCKCUYBSXSU-GJYPPUQNSA-N 1 1 315.461 3.140 10 30 DGEEMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(O[C@@H](C)C#N)cc2)[C@H](C)C1 ZINC000093638961 662357546 /nfs/dbraw/zinc/35/75/46/662357546.db2.gz NRMLCKCUYBSXSU-GJYPPUQNSA-N 1 1 315.461 3.140 10 30 DGEEMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(O[C@@H](C)C#N)cc2)[C@H](C)C1 ZINC000093638961 662357547 /nfs/dbraw/zinc/35/75/47/662357547.db2.gz NRMLCKCUYBSXSU-GJYPPUQNSA-N 1 1 315.461 3.140 10 30 DGEEMO CC[N@H+]1CCC[C@H](Nc2cc(Br)ccc2C#N)C1 ZINC000123162984 1200276154 /nfs/dbraw/zinc/27/61/54/1200276154.db2.gz SQZFDPRJZBGRNL-ZDUSSCGKSA-N 1 1 308.223 3.217 10 30 DGEEMO C#CCOc1ccc(CN[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000236694316 1202621323 /nfs/dbraw/zinc/62/13/23/1202621323.db2.gz BDFGTZKJDOYCBX-IBGZPJMESA-N 1 1 312.457 3.053 10 30 DGEEMO C#CCOc1ccc(C[NH2+][C@H]2CCN(CC3CCCC3)C2)cc1 ZINC000236694316 1202621324 /nfs/dbraw/zinc/62/13/24/1202621324.db2.gz BDFGTZKJDOYCBX-IBGZPJMESA-N 1 1 312.457 3.053 10 30 DGEEMO C=CC[NH+]1CCC(NCc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC000237846839 1202714543 /nfs/dbraw/zinc/71/45/43/1202714543.db2.gz FKUPXETZDKKBDB-UHFFFAOYSA-N 1 1 324.472 3.229 10 30 DGEEMO Cc1cc(C#N)cc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000309779776 231105779 /nfs/dbraw/zinc/10/57/79/231105779.db2.gz DPRIJQYIBDZYNB-QGZVFWFLSA-N 1 1 306.413 3.196 10 30 DGEEMO N#Cc1ccc(C(F)(F)F)c(N2CCC[N@H+](C3CC3)CC2)c1 ZINC000185296005 283135532 /nfs/dbraw/zinc/13/55/32/283135532.db2.gz CQMHSEGFUPESBL-UHFFFAOYSA-N 1 1 309.335 3.252 10 30 DGEEMO CC[N@H+]1CCC[C@@H]1CN(C)c1ccc(C#N)cc1Br ZINC000168566012 432068442 /nfs/dbraw/zinc/06/84/42/432068442.db2.gz YAUCKQGSHNVJAF-CYBMUJFWSA-N 1 1 322.250 3.241 10 30 DGEEMO C=C(C)COc1cc(C[N@@H+]2CC[C@H](CO)[C@@H]2CC)ccc1OC ZINC000449424483 240195618 /nfs/dbraw/zinc/19/56/18/240195618.db2.gz PDPWAYSPEHBYAY-SJORKVTESA-N 1 1 319.445 3.243 10 30 DGEEMO Cn1cc([C@@H]2CC[N@@H+](Cc3ccccc3C(C)(C)C#N)C2)cn1 ZINC000135236183 432107245 /nfs/dbraw/zinc/10/72/45/432107245.db2.gz FQCPTTLGLQWSIB-OAHLLOKOSA-N 1 1 308.429 3.211 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)o1 ZINC000091966757 193134021 /nfs/dbraw/zinc/13/40/21/193134021.db2.gz NEMBAIQLHKSEPM-CRAIPNDOSA-N 1 1 314.360 3.378 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)cc1C ZINC000488038603 245138750 /nfs/dbraw/zinc/13/87/50/245138750.db2.gz BUTMEVLGEVVTNS-OAHLLOKOSA-N 1 1 306.425 3.379 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C ZINC000488038603 245138757 /nfs/dbraw/zinc/13/87/57/245138757.db2.gz BUTMEVLGEVVTNS-OAHLLOKOSA-N 1 1 306.425 3.379 10 30 DGEEMO CC#CCCCC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000493036892 245867659 /nfs/dbraw/zinc/86/76/59/245867659.db2.gz WZPPORFKPMERSR-FQEVSTJZSA-N 1 1 312.457 3.351 10 30 DGEEMO CC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](C)/C(N)=N/O ZINC000042445134 183271225 /nfs/dbraw/zinc/27/12/25/183271225.db2.gz SXGUARBEZOQNKE-SECBINFHSA-N 1 1 304.221 3.198 10 30 DGEEMO CC[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H](C)/C(N)=N/O ZINC000042445134 183271227 /nfs/dbraw/zinc/27/12/27/183271227.db2.gz SXGUARBEZOQNKE-SECBINFHSA-N 1 1 304.221 3.198 10 30 DGEEMO CC(C)[N@@H+](CC/C(N)=N/O)Cc1ccc(Cl)c(Cl)c1 ZINC000042529135 183281055 /nfs/dbraw/zinc/28/10/55/183281055.db2.gz OWBRHHWMKPKYED-UHFFFAOYSA-N 1 1 304.221 3.340 10 30 DGEEMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c(C#N)c1C ZINC000249103927 285055589 /nfs/dbraw/zinc/05/55/89/285055589.db2.gz GOVVYSLCCUZPTI-GOEBONIOSA-N 1 1 315.417 3.361 10 30 DGEEMO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c(C#N)c1C ZINC000249103927 285055593 /nfs/dbraw/zinc/05/55/93/285055593.db2.gz GOVVYSLCCUZPTI-GOEBONIOSA-N 1 1 315.417 3.361 10 30 DGEEMO CCOCC[N@H+]1CCN([C@H](C)c2cccc(C#N)c2)C[C@H]1CC ZINC000249264332 285065224 /nfs/dbraw/zinc/06/52/24/285065224.db2.gz IMOYDXHVQMQJGL-VQIMIIECSA-N 1 1 315.461 3.052 10 30 DGEEMO CCOCCN1CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C[C@H]1CC ZINC000249264332 285065225 /nfs/dbraw/zinc/06/52/25/285065225.db2.gz IMOYDXHVQMQJGL-VQIMIIECSA-N 1 1 315.461 3.052 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cc1F ZINC000343556726 254159640 /nfs/dbraw/zinc/15/96/40/254159640.db2.gz LERCWBOIOYTUSL-SJLPKXTDSA-N 1 1 314.335 3.144 10 30 DGEEMO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cc1F ZINC000343556726 254159642 /nfs/dbraw/zinc/15/96/42/254159642.db2.gz LERCWBOIOYTUSL-SJLPKXTDSA-N 1 1 314.335 3.144 10 30 DGEEMO CC(C)[N@H+]1CCc2nc(/C=C/c3ccc(C#N)cn3)sc2C1 ZINC000378640153 257235423 /nfs/dbraw/zinc/23/54/23/257235423.db2.gz HPCDCRBSRVOTSO-AATRIKPKSA-N 1 1 310.426 3.347 10 30 DGEEMO N#Cc1cc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc2n1 ZINC000091479768 400123134 /nfs/dbraw/zinc/12/31/34/400123134.db2.gz DUMPWMBNHPHSDW-ZDUSSCGKSA-N 1 1 303.369 3.214 10 30 DGEEMO C=CCOc1ccccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043324 400149680 /nfs/dbraw/zinc/14/96/80/400149680.db2.gz CTQSFRMXZGGGGY-AEFFLSMTSA-N 1 1 300.446 3.168 10 30 DGEEMO C[C@H](C(=O)Nc1ccc(CC#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000025417873 400237021 /nfs/dbraw/zinc/23/70/21/400237021.db2.gz ANCMRLFOCAXYLH-OAHLLOKOSA-N 1 1 307.397 3.212 10 30 DGEEMO C=CCOc1ccc(CN2CC[C@H](C[N@H+](C)CCC)C2)cc1 ZINC000093741910 400253115 /nfs/dbraw/zinc/25/31/15/400253115.db2.gz HBJSVMKJRAXJQV-GOSISDBHSA-N 1 1 302.462 3.415 10 30 DGEEMO C=CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617009014 400271564 /nfs/dbraw/zinc/27/15/64/400271564.db2.gz QGJZKXIHXGDLKK-IAGOWNOFSA-N 1 1 300.446 3.335 10 30 DGEEMO C=CCCC1(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CCCC1 ZINC000617417757 400385707 /nfs/dbraw/zinc/38/57/07/400385707.db2.gz FODSAWHUVKNNHW-MRXNPFEDSA-N 1 1 315.461 3.397 10 30 DGEEMO C=CCCC1(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCCC1 ZINC000617417650 400385757 /nfs/dbraw/zinc/38/57/57/400385757.db2.gz AABHHMVNGWABHS-INIZCTEOSA-N 1 1 315.461 3.397 10 30 DGEEMO C=C(C)C[C@@H]([NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)C(=O)OC ZINC000602739047 400559229 /nfs/dbraw/zinc/55/92/29/400559229.db2.gz PHBUILLZARXBPV-BNEJOLLZSA-N 1 1 317.429 3.285 10 30 DGEEMO Cc1cc(C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)ccc1C#N ZINC000618751542 400683134 /nfs/dbraw/zinc/68/31/34/400683134.db2.gz GMGAJYDZCHGKSG-KRWDZBQOSA-N 1 1 321.428 3.173 10 30 DGEEMO C=CCCC(C)(C)CNC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000633411774 400939735 /nfs/dbraw/zinc/93/97/35/400939735.db2.gz XNAMFFSROJDBHC-INIZCTEOSA-N 1 1 309.498 3.352 10 30 DGEEMO C[C@]1(/[N+](O)=C/c2ccccc2C(F)(F)F)CCCCC1=O ZINC000225400823 400956898 /nfs/dbraw/zinc/95/68/98/400956898.db2.gz OWZQUHOZRLQLPZ-VAODSVERSA-N 1 1 300.300 3.428 10 30 DGEEMO C=C1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000625284646 401086121 /nfs/dbraw/zinc/08/61/21/401086121.db2.gz BWIWOKLZCLSVIL-VQTJNVASSA-N 1 1 324.468 3.323 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)c2cc(C)n([C@@H](C)COC)c2C)C1 ZINC000625702887 401185289 /nfs/dbraw/zinc/18/52/89/401185289.db2.gz JNPWPNVEOKRJFY-RDJZCZTQSA-N 1 1 318.461 3.393 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)N2CCc3sccc3[C@H]2CC)C1 ZINC000625702840 401185311 /nfs/dbraw/zinc/18/53/11/401185311.db2.gz JFJBWWNFESBKGU-GOEBONIOSA-N 1 1 318.486 3.482 10 30 DGEEMO C=CC[C@H]1CC[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000625700435 401186063 /nfs/dbraw/zinc/18/60/63/401186063.db2.gz BUMYJQWPGXSJLU-ICSRJNTNSA-N 1 1 314.473 3.176 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000625701752 401186663 /nfs/dbraw/zinc/18/66/63/401186663.db2.gz CPBPGOVIFVKMAX-ZBFHGGJFSA-N 1 1 309.837 3.116 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000625703787 401187170 /nfs/dbraw/zinc/18/71/70/401187170.db2.gz PDNUGEXUBKSZDB-IMFGXOCKSA-N 1 1 315.457 3.340 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000625703796 401187235 /nfs/dbraw/zinc/18/72/35/401187235.db2.gz PDNUGEXUBKSZDB-YVWKXTFCSA-N 1 1 315.457 3.340 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C1 ZINC000625703358 401187436 /nfs/dbraw/zinc/18/74/36/401187436.db2.gz KBBUKYQZBOTELV-NSHDSACASA-N 1 1 315.442 3.284 10 30 DGEEMO C=CC[C@H]1CC[N@@H+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C1 ZINC000625703358 401187443 /nfs/dbraw/zinc/18/74/43/401187443.db2.gz KBBUKYQZBOTELV-NSHDSACASA-N 1 1 315.442 3.284 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2nc3sc(C)c(C)c3c(N)n2)C1 ZINC000625703804 401187460 /nfs/dbraw/zinc/18/74/60/401187460.db2.gz SSKUUQYWBGCCSB-LBPRGKRZSA-N 1 1 302.447 3.288 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000625705830 401188314 /nfs/dbraw/zinc/18/83/14/401188314.db2.gz ZOILAEZGDKQVDE-GFCCVEGCSA-N 1 1 310.344 3.125 10 30 DGEEMO C=C1CC(C)(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000630497773 401278504 /nfs/dbraw/zinc/27/85/04/401278504.db2.gz PFQLPZGGMVQHEO-OAHLLOKOSA-N 1 1 306.837 3.415 10 30 DGEEMO C=C[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCC ZINC000626067074 401293547 /nfs/dbraw/zinc/29/35/47/401293547.db2.gz YZZAJZSOIZHAJD-CGTJXYLNSA-N 1 1 300.446 3.225 10 30 DGEEMO C=CCCOCC[NH2+]Cc1ncc(Br)cc1Cl ZINC000631100923 401394003 /nfs/dbraw/zinc/39/40/03/401394003.db2.gz GKQVHVHFDVFIKS-UHFFFAOYSA-N 1 1 319.630 3.180 10 30 DGEEMO C=CC(C)(C)CCNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000623466931 401524844 /nfs/dbraw/zinc/52/48/44/401524844.db2.gz QWVNHQQYZNDFEP-MRXNPFEDSA-N 1 1 309.498 3.400 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000623814458 401582648 /nfs/dbraw/zinc/58/26/48/401582648.db2.gz GDICWDSLFGUJQU-NXHRZFHOSA-N 1 1 313.445 3.039 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)C1 ZINC000628491539 401607688 /nfs/dbraw/zinc/60/76/88/401607688.db2.gz AMOIAXNTSPSXHN-AWEZNQCLSA-N 1 1 323.440 3.194 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)C1 ZINC000628491539 401607691 /nfs/dbraw/zinc/60/76/91/401607691.db2.gz AMOIAXNTSPSXHN-AWEZNQCLSA-N 1 1 323.440 3.194 10 30 DGEEMO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624325772 401651877 /nfs/dbraw/zinc/65/18/77/401651877.db2.gz ANCMYFWXCGDDSZ-BRWVUGGUSA-N 1 1 307.482 3.152 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000624375029 401656679 /nfs/dbraw/zinc/65/66/79/401656679.db2.gz DVZROVWQRMOFGX-CVEARBPZSA-N 1 1 305.466 3.001 10 30 DGEEMO C=CC(C)(C)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000624464826 401662635 /nfs/dbraw/zinc/66/26/35/401662635.db2.gz QZZDEXCLGQLOIL-DOTOQJQBSA-N 1 1 319.493 3.247 10 30 DGEEMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000190039118 165188000 /nfs/dbraw/zinc/18/80/00/165188000.db2.gz HPSZIUZJSAQEPH-AWEZNQCLSA-N 1 1 321.428 3.042 10 30 DGEEMO CCc1n[nH]c(C2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000190664510 165211319 /nfs/dbraw/zinc/21/13/19/165211319.db2.gz SGZAVDJZGPDBNI-CYBMUJFWSA-N 1 1 309.417 3.179 10 30 DGEEMO CCc1nc(C2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000190664510 165211326 /nfs/dbraw/zinc/21/13/26/165211326.db2.gz SGZAVDJZGPDBNI-CYBMUJFWSA-N 1 1 309.417 3.179 10 30 DGEEMO C[C@@H]1C[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H](C)O1 ZINC000127027844 227001246 /nfs/dbraw/zinc/00/12/46/227001246.db2.gz WZOVFZLYFJMYQG-HZPDHXFCSA-N 1 1 324.428 3.073 10 30 DGEEMO C[C@H]([NH2+][C@@H](CO)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000358576394 270004001 /nfs/dbraw/zinc/00/40/01/270004001.db2.gz UCYNLZQXJNWKPT-GTNSWQLSSA-N 1 1 302.324 3.221 10 30 DGEEMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CCCSCC#N)c1 ZINC000074981359 431445028 /nfs/dbraw/zinc/44/50/28/431445028.db2.gz MPMAOWXMKPMZDJ-MRXNPFEDSA-N 1 1 320.458 3.488 10 30 DGEEMO CC[C@@H]1CC[N@@H+]1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330281275 280315979 /nfs/dbraw/zinc/31/59/79/280315979.db2.gz UJPLWEKEWCQTGN-GNFNDJEDSA-N 1 1 319.449 3.310 10 30 DGEEMO CC[C@@H]1CC[N@H+]1CC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000330281275 280315980 /nfs/dbraw/zinc/31/59/80/280315980.db2.gz UJPLWEKEWCQTGN-GNFNDJEDSA-N 1 1 319.449 3.310 10 30 DGEEMO C=CCCC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000078153595 431643607 /nfs/dbraw/zinc/64/36/07/431643607.db2.gz FPHTXBKRMCFQFN-GASCZTMLSA-N 1 1 302.418 3.201 10 30 DGEEMO C=CCCC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000078153595 431643612 /nfs/dbraw/zinc/64/36/12/431643612.db2.gz FPHTXBKRMCFQFN-GASCZTMLSA-N 1 1 302.418 3.201 10 30 DGEEMO C[N@H+](Cc1ccc(C#N)o1)C1CCN(Cc2ccccc2)CC1 ZINC000119315697 431677140 /nfs/dbraw/zinc/67/71/40/431677140.db2.gz WOOQNGSKWYKHHT-UHFFFAOYSA-N 1 1 309.413 3.248 10 30 DGEEMO C[N@@H+](Cc1ccc(C#N)o1)C1CCN(Cc2ccccc2)CC1 ZINC000119315697 431677144 /nfs/dbraw/zinc/67/71/44/431677144.db2.gz WOOQNGSKWYKHHT-UHFFFAOYSA-N 1 1 309.413 3.248 10 30 DGEEMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000120491035 431731522 /nfs/dbraw/zinc/73/15/22/431731522.db2.gz GOVVYSLCCUZPTI-ZBFHGGJFSA-N 1 1 315.417 3.361 10 30 DGEEMO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000120491035 431731528 /nfs/dbraw/zinc/73/15/28/431731528.db2.gz GOVVYSLCCUZPTI-ZBFHGGJFSA-N 1 1 315.417 3.361 10 30 DGEEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000122944935 431849676 /nfs/dbraw/zinc/84/96/76/431849676.db2.gz KUACCLIFGFDCPB-CQSZACIVSA-N 1 1 300.431 3.216 10 30 DGEEMO C=C[C@@](C)(O)C[N@@H+](Cc1cccc(OC)c1OC)CC(C)C ZINC000036115466 431837743 /nfs/dbraw/zinc/83/77/43/431837743.db2.gz ITQPONXASNNYAY-GOSISDBHSA-N 1 1 307.434 3.099 10 30 DGEEMO C=CCOc1ccccc1C[N@H+](CCOC)Cc1ccco1 ZINC000092562078 431909750 /nfs/dbraw/zinc/90/97/50/431909750.db2.gz TXVUYOQMYRWKEW-UHFFFAOYSA-N 1 1 301.386 3.493 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+](CCOC)Cc1ccco1 ZINC000092562078 431909751 /nfs/dbraw/zinc/90/97/51/431909751.db2.gz TXVUYOQMYRWKEW-UHFFFAOYSA-N 1 1 301.386 3.493 10 30 DGEEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc(OCCCC#N)c1 ZINC000093437415 431914054 /nfs/dbraw/zinc/91/40/54/431914054.db2.gz HPIRVRHFFHETRI-FUHWJXTLSA-N 1 1 313.445 3.038 10 30 DGEEMO C=CCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000093644457 431915338 /nfs/dbraw/zinc/91/53/38/431915338.db2.gz GHTAHDKHWUOSEB-WBVHZDCISA-N 1 1 318.461 3.175 10 30 DGEEMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000093644457 431915340 /nfs/dbraw/zinc/91/53/40/431915340.db2.gz GHTAHDKHWUOSEB-WBVHZDCISA-N 1 1 318.461 3.175 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000093644457 431915341 /nfs/dbraw/zinc/91/53/41/431915341.db2.gz GHTAHDKHWUOSEB-WBVHZDCISA-N 1 1 318.461 3.175 10 30 DGEEMO C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)CCN1C ZINC000093644152 431915524 /nfs/dbraw/zinc/91/55/24/431915524.db2.gz DDVRKJJYBZJMKZ-WMZOPIPTSA-N 1 1 315.461 3.284 10 30 DGEEMO C[C@H]1C[C@@H](N(C)Cc2cccc(OCCCC#N)c2)CC[N@@H+]1C ZINC000093644152 431915526 /nfs/dbraw/zinc/91/55/26/431915526.db2.gz DDVRKJJYBZJMKZ-WMZOPIPTSA-N 1 1 315.461 3.284 10 30 DGEEMO C[C@H]1C[C@@H](N(C)Cc2cccc(OCCCC#N)c2)CC[N@H+]1C ZINC000093644152 431915528 /nfs/dbraw/zinc/91/55/28/431915528.db2.gz DDVRKJJYBZJMKZ-WMZOPIPTSA-N 1 1 315.461 3.284 10 30 DGEEMO C=CC[N@H+](CCC(=O)NC(C)C)Cc1ccc(Cl)s1 ZINC000046502978 431897790 /nfs/dbraw/zinc/89/77/90/431897790.db2.gz BBLHSXODXKQOMR-UHFFFAOYSA-N 1 1 300.855 3.304 10 30 DGEEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000248392322 432284479 /nfs/dbraw/zinc/28/44/79/432284479.db2.gz FHJYRAKSUMBDAI-NXHRZFHOSA-N 1 1 313.445 3.036 10 30 DGEEMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000191974577 432320283 /nfs/dbraw/zinc/32/02/83/432320283.db2.gz GXBPEGMMAPPGMI-HKUYNNGSSA-N 1 1 312.457 3.055 10 30 DGEEMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183796277 432326612 /nfs/dbraw/zinc/32/66/12/432326612.db2.gz FUHUDKXRERXUGA-MRXNPFEDSA-N 1 1 306.413 3.227 10 30 DGEEMO Cc1nc([C@@H]2CCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)cs1 ZINC000249456309 432348299 /nfs/dbraw/zinc/34/82/99/432348299.db2.gz NRHDSDYHZZXGGU-DLBZAZTESA-N 1 1 313.426 3.194 10 30 DGEEMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249591314 432352547 /nfs/dbraw/zinc/35/25/47/432352547.db2.gz VNLRCDKRMKIZPB-BVGQSLNGSA-N 1 1 312.438 3.389 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1OC ZINC000252734159 432388060 /nfs/dbraw/zinc/38/80/60/432388060.db2.gz HLLYLBQRORKWSS-IAGOWNOFSA-N 1 1 317.429 3.403 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1OC ZINC000252734159 432388063 /nfs/dbraw/zinc/38/80/63/432388063.db2.gz HLLYLBQRORKWSS-IAGOWNOFSA-N 1 1 317.429 3.403 10 30 DGEEMO CC(C)[N@H+]1C[C@H](NCc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000154093859 432471650 /nfs/dbraw/zinc/47/16/50/432471650.db2.gz QXJUSIBDBBBKRQ-LPHOPBHVSA-N 1 1 315.461 3.187 10 30 DGEEMO CC(C)[N@@H+]1C[C@H](NCc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000154093859 432471654 /nfs/dbraw/zinc/47/16/54/432471654.db2.gz QXJUSIBDBBBKRQ-LPHOPBHVSA-N 1 1 315.461 3.187 10 30 DGEEMO C=CCOc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000176324393 432511648 /nfs/dbraw/zinc/51/16/48/432511648.db2.gz PPACZMSZTXFPRS-INIZCTEOSA-N 1 1 317.433 3.199 10 30 DGEEMO C#CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000185958388 432548833 /nfs/dbraw/zinc/54/88/33/432548833.db2.gz YOTCIOQOKVLCFW-JKSUJKDBSA-N 1 1 318.848 3.251 10 30 DGEEMO C#CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000185958388 432548838 /nfs/dbraw/zinc/54/88/38/432548838.db2.gz YOTCIOQOKVLCFW-JKSUJKDBSA-N 1 1 318.848 3.251 10 30 DGEEMO CC(=O)c1ccc(C#N)c(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000272501016 432513703 /nfs/dbraw/zinc/51/37/03/432513703.db2.gz LGFQBVQMMONUTF-MSOLQXFVSA-N 1 1 311.429 3.212 10 30 DGEEMO N#Cc1ccc2ncc(C[N@H+]3CC[C@H](c4ccccc4)C3)n2c1 ZINC000155061421 432537198 /nfs/dbraw/zinc/53/71/98/432537198.db2.gz HTLOOBPDAVCBHN-KRWDZBQOSA-N 1 1 302.381 3.195 10 30 DGEEMO N#Cc1ccc2ncc(C[N@H+]3CC[C@@H](Cc4ccccc4)C3)n2c1 ZINC000155088804 432538377 /nfs/dbraw/zinc/53/83/77/432538377.db2.gz CKZWJXZPSMAIQL-KRWDZBQOSA-N 1 1 316.408 3.271 10 30 DGEEMO C=C(C)CN(C)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000157487340 432621079 /nfs/dbraw/zinc/62/10/79/432621079.db2.gz UWUQHRPWPLANQJ-IBGZPJMESA-N 1 1 315.461 3.259 10 30 DGEEMO N#Cc1ccc([C@H](O)C[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000177730840 432655731 /nfs/dbraw/zinc/65/57/31/432655731.db2.gz JZCBDWKDCRENLE-HXUWFJFHSA-N 1 1 317.392 3.131 10 30 DGEEMO N#Cc1ccc([C@H](O)C[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000177730840 432655735 /nfs/dbraw/zinc/65/57/35/432655735.db2.gz JZCBDWKDCRENLE-HXUWFJFHSA-N 1 1 317.392 3.131 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160022594 432704926 /nfs/dbraw/zinc/70/49/26/432704926.db2.gz AORWMRQMIXZXBM-FUHWJXTLSA-N 1 1 315.461 3.257 10 30 DGEEMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000245544882 432841697 /nfs/dbraw/zinc/84/16/97/432841697.db2.gz STYPWLLSOCBLHC-ZTFGCOKTSA-N 1 1 300.402 3.121 10 30 DGEEMO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000298319799 433094081 /nfs/dbraw/zinc/09/40/81/433094081.db2.gz RYISUFNRXWVNNJ-SJKOYZFVSA-N 1 1 319.836 3.141 10 30 DGEEMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000298319799 433094092 /nfs/dbraw/zinc/09/40/92/433094092.db2.gz RYISUFNRXWVNNJ-SJKOYZFVSA-N 1 1 319.836 3.141 10 30 DGEEMO CN(Cc1cc(F)ccc1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336709232 433179893 /nfs/dbraw/zinc/17/98/93/433179893.db2.gz MLZSUMCOJRKHQI-FQEVSTJZSA-N 1 1 323.415 3.404 10 30 DGEEMO C=CCC[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 ZINC000374786502 433276840 /nfs/dbraw/zinc/27/68/40/433276840.db2.gz ZPYZMNPCTJVUIN-INIZCTEOSA-N 1 1 324.428 3.418 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000299566758 433371725 /nfs/dbraw/zinc/37/17/25/433371725.db2.gz GJKLTTHAVHCVHU-CQSZACIVSA-N 1 1 321.490 3.233 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000448368589 433397041 /nfs/dbraw/zinc/39/70/41/433397041.db2.gz WSUSYGHBZLLREA-BXWFABGCSA-N 1 1 317.429 3.020 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)cc1 ZINC000448377199 433406083 /nfs/dbraw/zinc/40/60/83/433406083.db2.gz RGWQWYGVLKCYBN-FRQCXROJSA-N 1 1 317.429 3.020 10 30 DGEEMO N#Cc1cccc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000301296027 433494068 /nfs/dbraw/zinc/49/40/68/433494068.db2.gz XSMLIQKMMCCIPD-GOSISDBHSA-N 1 1 306.413 3.420 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCC23CCOCC3)cc1OC ZINC000375734372 433545174 /nfs/dbraw/zinc/54/51/74/433545174.db2.gz VCHFWVKRWAVEDC-UHFFFAOYSA-N 1 1 303.402 3.015 10 30 DGEEMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000362143848 433546347 /nfs/dbraw/zinc/54/63/47/433546347.db2.gz YLDPINDFUXVABP-QZTJIDSGSA-N 1 1 316.420 3.456 10 30 DGEEMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000362143848 433546360 /nfs/dbraw/zinc/54/63/60/433546360.db2.gz YLDPINDFUXVABP-QZTJIDSGSA-N 1 1 316.420 3.456 10 30 DGEEMO Cc1cc(C#N)cc(NCC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000342793598 433759560 /nfs/dbraw/zinc/75/95/60/433759560.db2.gz VWSMGJFFDLXTFY-INIZCTEOSA-N 1 1 308.429 3.584 10 30 DGEEMO Cc1cc(C#N)cc(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)n1 ZINC000343026266 433769724 /nfs/dbraw/zinc/76/97/24/433769724.db2.gz MXFJRWBWVPDSCF-IBGZPJMESA-N 1 1 320.440 3.584 10 30 DGEEMO C[NH+](C)[C@H](C(=O)N1CCC(C)(C#N)CC1)c1cccc(Cl)c1 ZINC000356979411 433796966 /nfs/dbraw/zinc/79/69/66/433796966.db2.gz RXRALGOIFDRBSD-HNNXBMFYSA-N 1 1 319.836 3.095 10 30 DGEEMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2c2ccnn2C)cc1 ZINC000376672856 433798248 /nfs/dbraw/zinc/79/82/48/433798248.db2.gz OZWZHVYPBIDTMH-BEFAXECRSA-N 1 1 324.428 3.438 10 30 DGEEMO C=CCC(C)(C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000432074352 433821206 /nfs/dbraw/zinc/82/12/06/433821206.db2.gz BTOJAUKMQNURQG-SJORKVTESA-N 1 1 315.461 3.333 10 30 DGEEMO Cn1nccc1[C@@H]1CCCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000377197705 433851893 /nfs/dbraw/zinc/85/18/93/433851893.db2.gz RHOJSZNTUUYCNQ-IBGZPJMESA-N 1 1 324.428 3.288 10 30 DGEEMO CC[C@](C)(C#N)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000285164937 433918386 /nfs/dbraw/zinc/91/83/86/433918386.db2.gz PUSPWTHTLICPAV-IEBWSBKVSA-N 1 1 313.445 3.097 10 30 DGEEMO Cc1cc(C#N)cc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000303741917 433963672 /nfs/dbraw/zinc/96/36/72/433963672.db2.gz VLSCTZHPJGBDLY-GOSISDBHSA-N 1 1 306.413 3.338 10 30 DGEEMO Cc1cc2c[nH]nc2c(C(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000328711752 434301529 /nfs/dbraw/zinc/30/15/29/434301529.db2.gz RMCYFRCEXYYXDT-UHFFFAOYSA-N 1 1 314.433 3.440 10 30 DGEEMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328686995 434302120 /nfs/dbraw/zinc/30/21/20/434302120.db2.gz YSOSAJMGGSJWLJ-OCCSQVGLSA-N 1 1 306.410 3.073 10 30 DGEEMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@H]1CCCCNC1=O ZINC000328752032 434305871 /nfs/dbraw/zinc/30/58/71/434305871.db2.gz CTENCLVDAHSCTI-HUUCEWRRSA-N 1 1 309.454 3.354 10 30 DGEEMO CCn1nc(C)c(CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1C ZINC000328815718 434312972 /nfs/dbraw/zinc/31/29/72/434312972.db2.gz COYXUUSQCXHHPM-MQVJKMGUSA-N 1 1 318.465 3.034 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000358394092 434393335 /nfs/dbraw/zinc/39/33/35/434393335.db2.gz FXASCOBGTQURFC-PKOBYXMFSA-N 1 1 302.462 3.398 10 30 DGEEMO C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)c1ccc(C#N)cc1F ZINC000358585004 434397706 /nfs/dbraw/zinc/39/77/06/434397706.db2.gz IFOUXHFDAWSPQF-UGSOOPFHSA-N 1 1 323.371 3.153 10 30 DGEEMO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000358596873 434398574 /nfs/dbraw/zinc/39/85/74/434398574.db2.gz WIUQAANHGHDVBI-GOEBONIOSA-N 1 1 303.425 3.468 10 30 DGEEMO C[C@@H]([NH2+]C[C@@H](C)N1CCC(C)CC1)c1ccc(C#N)cc1F ZINC000358594775 434399309 /nfs/dbraw/zinc/39/93/09/434399309.db2.gz UDUVMJORIXSOAO-HUUCEWRRSA-N 1 1 303.425 3.468 10 30 DGEEMO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(C#N)cc1F ZINC000358585002 434399661 /nfs/dbraw/zinc/39/96/61/434399661.db2.gz IFOUXHFDAWSPQF-FZKQIMNGSA-N 1 1 323.371 3.153 10 30 DGEEMO C=C(C)Cn1c(C(C)C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000359101139 434411297 /nfs/dbraw/zinc/41/12/97/434411297.db2.gz JQEZTKSUVQPKJR-JKSUJKDBSA-N 1 1 319.497 3.144 10 30 DGEEMO Cc1cc(C#N)nc(N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)n1 ZINC000398144187 434457837 /nfs/dbraw/zinc/45/78/37/434457837.db2.gz NFVGETVNCDXCRK-GOSISDBHSA-N 1 1 323.444 3.225 10 30 DGEEMO COc1ccc(C[N@H+]2CC[C@@H](O)c3ccccc3C2)cc1C#N ZINC000368322709 434570960 /nfs/dbraw/zinc/57/09/60/434570960.db2.gz CTVQDWXODMMRFK-GOSISDBHSA-N 1 1 308.381 3.006 10 30 DGEEMO C=CCN1CC[C@H]([N@H+](C)[C@@H](Cc2ccc(F)cc2)C(C)C)C1=O ZINC000410382866 434644854 /nfs/dbraw/zinc/64/48/54/434644854.db2.gz BSPUGXHXIOPOMH-ROUUACIJSA-N 1 1 318.436 3.112 10 30 DGEEMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000424294315 434681373 /nfs/dbraw/zinc/68/13/73/434681373.db2.gz KNTBFNDLMYYKAI-FFGOWVMKSA-N 1 1 314.473 3.078 10 30 DGEEMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000424295477 434684003 /nfs/dbraw/zinc/68/40/03/434684003.db2.gz MVBMSBCZZRRHSF-FFGOWVMKSA-N 1 1 314.473 3.078 10 30 DGEEMO C=CCC1(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCOCC1 ZINC000424603120 434755881 /nfs/dbraw/zinc/75/58/81/434755881.db2.gz ZRNVWSVQFCFQAK-QGZVFWFLSA-N 1 1 322.493 3.130 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1 ZINC000361115191 434801835 /nfs/dbraw/zinc/80/18/35/434801835.db2.gz WOPNXSGCWBYWKL-LPHOPBHVSA-N 1 1 317.429 3.021 10 30 DGEEMO C[N@@H+](CCC(=O)NCC1CCC(C#N)CC1)C1CCCCC1 ZINC000573055513 434871429 /nfs/dbraw/zinc/87/14/29/434871429.db2.gz KKKSZBFZGJOYGV-UHFFFAOYSA-N 1 1 305.466 3.087 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CC[C@H](OC(F)F)C2)cc1OC ZINC000574417332 434976703 /nfs/dbraw/zinc/97/67/03/434976703.db2.gz CZYRDWVNNNHTGO-ZDUSSCGKSA-N 1 1 313.344 3.074 10 30 DGEEMO C=CCOc1ccc(CNC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527806420 435015504 /nfs/dbraw/zinc/01/55/04/435015504.db2.gz KKKYTMUPYGYTJA-GOSISDBHSA-N 1 1 300.446 3.358 10 30 DGEEMO C=CCOc1ccc(CNC[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527806420 435015508 /nfs/dbraw/zinc/01/55/08/435015508.db2.gz KKKYTMUPYGYTJA-GOSISDBHSA-N 1 1 300.446 3.358 10 30 DGEEMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2(C)C)C1=O ZINC000528743953 435027529 /nfs/dbraw/zinc/02/75/29/435027529.db2.gz IJGMXWWAFYDYKP-IRXDYDNUSA-N 1 1 316.420 3.181 10 30 DGEEMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](c3ccc(F)cc3)C2(C)C)C1=O ZINC000528743951 435028053 /nfs/dbraw/zinc/02/80/53/435028053.db2.gz IJGMXWWAFYDYKP-IAGOWNOFSA-N 1 1 316.420 3.181 10 30 DGEEMO C(#Cc1ccccc1)C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000577029628 435058577 /nfs/dbraw/zinc/05/85/77/435058577.db2.gz FPZIKHINJKLZDT-FQEVSTJZSA-N 1 1 302.421 3.175 10 30 DGEEMO C=CCC[C@@H](O)C[N@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000537176345 435428690 /nfs/dbraw/zinc/42/86/90/435428690.db2.gz CLFSBUFAYRFPDS-OAHLLOKOSA-N 1 1 324.262 3.443 10 30 DGEEMO C=CCOc1ccccc1CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000539850473 435575588 /nfs/dbraw/zinc/57/55/88/435575588.db2.gz OHMMPURTCRIHTL-GOSISDBHSA-N 1 1 314.473 3.415 10 30 DGEEMO C=CCCCCCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570411451 435618312 /nfs/dbraw/zinc/61/83/12/435618312.db2.gz OPVXAUGZVUSRAB-SFHVURJKSA-N 1 1 300.446 3.371 10 30 DGEEMO C=CCCOCC[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000541778602 435645542 /nfs/dbraw/zinc/64/55/42/435645542.db2.gz SJUIUHDYUBXHGD-KRWDZBQOSA-N 1 1 319.836 3.345 10 30 DGEEMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNc2ccncc2C#N)cc1 ZINC000548481988 435696681 /nfs/dbraw/zinc/69/66/81/435696681.db2.gz JMNXHRFHTZLHTH-INIZCTEOSA-N 1 1 320.440 3.362 10 30 DGEEMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@@H]1CC=CCC1 ZINC000544110199 314173906 /nfs/dbraw/zinc/17/39/06/314173906.db2.gz BTXJNTCJAWKNCQ-CYBMUJFWSA-N 1 1 317.820 3.438 10 30 DGEEMO C=C(C)[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000580209560 333009736 /nfs/dbraw/zinc/00/97/36/333009736.db2.gz BFBLFURFSAFLHF-SJKOYZFVSA-N 1 1 308.372 3.040 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000521425084 333380845 /nfs/dbraw/zinc/38/08/45/333380845.db2.gz HQIXRGHALXTTGR-SFHVURJKSA-N 1 1 318.436 3.257 10 30 DGEEMO C=CCCc1ccccc1NC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000505038682 340159673 /nfs/dbraw/zinc/15/96/73/340159673.db2.gz LAYJDZRFQAMSCS-HUUCEWRRSA-N 1 1 301.434 3.362 10 30 DGEEMO C=CCSCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000543755223 341057131 /nfs/dbraw/zinc/05/71/31/341057131.db2.gz SWBLRARBPAHRSP-AEFFLSMTSA-N 1 1 304.503 3.406 10 30 DGEEMO C=CCNC(=O)C[N@H+]1CCCCC[C@@H]1/C=C\c1cccs1 ZINC000543988871 341065238 /nfs/dbraw/zinc/06/52/38/341065238.db2.gz KNBCWOMZMFSZSM-FJVVXJACSA-N 1 1 304.459 3.308 10 30 DGEEMO C=CCC[C@@H](O)C[N@H+](CCC)Cc1cccc(OC)c1OC ZINC000036097250 518713790 /nfs/dbraw/zinc/71/37/90/518713790.db2.gz GCDOSSCLMHZMOJ-MRXNPFEDSA-N 1 1 307.434 3.243 10 30 DGEEMO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1nnc(-c2ccccc2F)s1 ZINC000451610028 534609939 /nfs/dbraw/zinc/60/99/39/534609939.db2.gz RIJULENCDCKMID-GDLCADMTSA-N 1 1 319.405 3.338 10 30 DGEEMO C=C(C)C[N@H+](C)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000351062373 526502698 /nfs/dbraw/zinc/50/26/98/526502698.db2.gz ITYXENWIHCHLPB-INIZCTEOSA-N 1 1 300.446 3.322 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444700638 526537419 /nfs/dbraw/zinc/53/74/19/526537419.db2.gz ODUPIYIGQSYFOD-OLZOCXBDSA-N 1 1 306.372 3.074 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1OC ZINC000355135137 526866934 /nfs/dbraw/zinc/86/69/34/526866934.db2.gz NTOUANOYMZWDHU-IRXDYDNUSA-N 1 1 317.429 3.261 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2C[C@@H](CC)O[C@@]3(CCOC3)C2)cc1 ZINC000355656668 526873661 /nfs/dbraw/zinc/87/36/61/526873661.db2.gz KIGOOULVSKLTOF-MJGOQNOKSA-N 1 1 317.429 3.021 10 30 DGEEMO C=CCOc1ccc(C[NH2+]Cc2ncc(COC)s2)cc1 ZINC000352920873 526887841 /nfs/dbraw/zinc/88/78/41/526887841.db2.gz CGQMKBTXFPZUSV-UHFFFAOYSA-N 1 1 304.415 3.144 10 30 DGEEMO C=CCOc1cccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415038699 526898356 /nfs/dbraw/zinc/89/83/56/526898356.db2.gz IFRZGOJGVADADF-PKOBYXMFSA-N 1 1 300.446 3.215 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000351941301 526934097 /nfs/dbraw/zinc/93/40/97/526934097.db2.gz PECGFSZDXUIYLE-UHFFFAOYSA-N 1 1 319.470 3.349 10 30 DGEEMO C=CCCCN(C)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000342476305 527188574 /nfs/dbraw/zinc/18/85/74/527188574.db2.gz PWGXTEMSFVDWFY-GOSISDBHSA-N 1 1 300.446 3.466 10 30 DGEEMO C=CCC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000338569814 527326482 /nfs/dbraw/zinc/32/64/82/527326482.db2.gz WTIXQVHMJLLNOJ-VQIMIIECSA-N 1 1 301.478 3.498 10 30 DGEEMO C=C[C@@H](C)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000349415705 527411865 /nfs/dbraw/zinc/41/18/65/527411865.db2.gz RLYRUXRHDUWQQF-HIFRSBDPSA-N 1 1 301.434 3.184 10 30 DGEEMO CC(C)(C#N)CCC[N@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121114130 527465026 /nfs/dbraw/zinc/46/50/26/527465026.db2.gz WCCNFMKLFYMQBZ-CZUORRHYSA-N 1 1 308.372 3.402 10 30 DGEEMO CC(C)C[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(OCC#N)cc1 ZINC000182064762 527981008 /nfs/dbraw/zinc/98/10/08/527981008.db2.gz OOADPOXHSLYZIX-SJLPKXTDSA-N 1 1 315.461 3.360 10 30 DGEEMO CC(C)CN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000182064762 527981009 /nfs/dbraw/zinc/98/10/09/527981009.db2.gz OOADPOXHSLYZIX-SJLPKXTDSA-N 1 1 315.461 3.360 10 30 DGEEMO Clc1cccc(C#CC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000157275467 546039935 /nfs/dbraw/zinc/03/99/35/546039935.db2.gz ACHLYVNNLUMAGQ-GOSISDBHSA-N 1 1 312.800 3.240 10 30 DGEEMO Clc1cccc(C#CC[N@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000157275467 546039940 /nfs/dbraw/zinc/03/99/40/546039940.db2.gz ACHLYVNNLUMAGQ-GOSISDBHSA-N 1 1 312.800 3.240 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCCCC[C@@H]2CCO)cc1OC ZINC000342819211 546559510 /nfs/dbraw/zinc/55/95/10/546559510.db2.gz AAUJIBBBBPUYSB-QGZVFWFLSA-N 1 1 319.445 3.387 10 30 DGEEMO N#CCOc1ccc(Cl)cc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000735308870 574696279 /nfs/dbraw/zinc/69/62/79/574696279.db2.gz WSBUIQPPVLITFU-ZDUSSCGKSA-N 1 1 320.820 3.243 10 30 DGEEMO CC[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H]1CCCO1 ZINC000735311336 574697147 /nfs/dbraw/zinc/69/71/47/574697147.db2.gz ODHMORZBYGTBFO-OAHLLOKOSA-N 1 1 308.809 3.243 10 30 DGEEMO COc1ccc(C[NH2+]Cc2ccn(C3CCCC3)n2)cc1C#N ZINC000129033772 625392586 /nfs/dbraw/zinc/39/25/86/625392586.db2.gz ZWTWLQMUWMOXRC-UHFFFAOYSA-N 1 1 310.401 3.168 10 30 DGEEMO C#CCCCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000119742230 621721589 /nfs/dbraw/zinc/72/15/89/621721589.db2.gz ZJNXIEAVNVWNFP-IBGZPJMESA-N 1 1 312.457 3.351 10 30 DGEEMO C=C(Br)C[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000125130032 623335892 /nfs/dbraw/zinc/33/58/92/623335892.db2.gz QMQAVELZOMBBKX-JTQLQIEISA-N 1 1 300.196 3.263 10 30 DGEEMO CCCCCCCCCC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173812903 659402453 /nfs/dbraw/zinc/40/24/53/659402453.db2.gz FNJBYNGPMDECHG-QZTJIDSGSA-N 1 1 324.509 3.306 10 30 DGEEMO C=CCC1(O)CC[NH+](Cc2csc(Br)c2)CC1 ZINC000717421312 661264443 /nfs/dbraw/zinc/26/44/43/661264443.db2.gz AZPAIRISXSYLGB-UHFFFAOYSA-N 1 1 316.264 3.414 10 30 DGEEMO CCc1cccc(NC(=[NH2+])NCc2nc3cccc(C)c3[nH]2)c1 ZINC000305713050 657921649 /nfs/dbraw/zinc/92/16/49/657921649.db2.gz KUYRVLNFPWESFV-UHFFFAOYSA-N 1 1 307.401 3.361 10 30 DGEEMO C=CCc1cc(CN(C)C[C@@H]2CCC[N@@H+]2CC)c(O)c(OC)c1 ZINC000164445578 658935193 /nfs/dbraw/zinc/93/51/93/658935193.db2.gz XQGGOUHBQJSCJT-KRWDZBQOSA-N 1 1 318.461 3.045 10 30 DGEEMO C=CCc1cc(C[N@@H+](C)C[C@@H]2CCCN2CC)c(O)c(OC)c1 ZINC000164445578 658935197 /nfs/dbraw/zinc/93/51/97/658935197.db2.gz XQGGOUHBQJSCJT-KRWDZBQOSA-N 1 1 318.461 3.045 10 30 DGEEMO C=CCc1cc(C[N@H+](C)C[C@@H]2CCCN2CC)c(O)c(OC)c1 ZINC000164445578 658935198 /nfs/dbraw/zinc/93/51/98/658935198.db2.gz XQGGOUHBQJSCJT-KRWDZBQOSA-N 1 1 318.461 3.045 10 30 DGEEMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2nccn2CC(C)C)cc1 ZINC000164786841 658946086 /nfs/dbraw/zinc/94/60/86/658946086.db2.gz AULHZQIXYGTBHR-MRXNPFEDSA-N 1 1 311.429 3.402 10 30 DGEEMO C=C(Cl)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181306380 659993284 /nfs/dbraw/zinc/99/32/84/659993284.db2.gz WXCBJQUJRCTAPW-AWEZNQCLSA-N 1 1 302.809 3.404 10 30 DGEEMO C=C(Cl)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181306380 659993285 /nfs/dbraw/zinc/99/32/85/659993285.db2.gz WXCBJQUJRCTAPW-AWEZNQCLSA-N 1 1 302.809 3.404 10 30 DGEEMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000192048138 662086257 /nfs/dbraw/zinc/08/62/57/662086257.db2.gz XJPBCJRGWBVSQF-KRWDZBQOSA-N 1 1 314.429 3.027 10 30 DGEEMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000192048138 662086259 /nfs/dbraw/zinc/08/62/59/662086259.db2.gz XJPBCJRGWBVSQF-KRWDZBQOSA-N 1 1 314.429 3.027 10 30 DGEEMO Oc1ccccc1C[N@@H+](CC#Cc1ccccc1)C[C@H]1CCCO1 ZINC000192102157 662087421 /nfs/dbraw/zinc/08/74/21/662087421.db2.gz BLRSTEPOWNZALE-HXUWFJFHSA-N 1 1 321.420 3.425 10 30 DGEEMO CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@@H](C)C#N)cc2)[C@@H](C)C1 ZINC000245750092 662240299 /nfs/dbraw/zinc/24/02/99/662240299.db2.gz NRMLCKCUYBSXSU-BXWFABGCSA-N 1 1 315.461 3.140 10 30 DGEEMO CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)[C@@H](C)C1 ZINC000245750092 662240300 /nfs/dbraw/zinc/24/03/00/662240300.db2.gz NRMLCKCUYBSXSU-BXWFABGCSA-N 1 1 315.461 3.140 10 30 DGEEMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)[C@@H](C)C1 ZINC000245750092 662240301 /nfs/dbraw/zinc/24/03/01/662240301.db2.gz NRMLCKCUYBSXSU-BXWFABGCSA-N 1 1 315.461 3.140 10 30 DGEEMO CCN1CC[C@H]([N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)[C@@H](C)C1 ZINC000245750092 662240302 /nfs/dbraw/zinc/24/03/02/662240302.db2.gz NRMLCKCUYBSXSU-BXWFABGCSA-N 1 1 315.461 3.140 10 30 DGEEMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)[C@@H](C)C1 ZINC000245750092 662240303 /nfs/dbraw/zinc/24/03/03/662240303.db2.gz NRMLCKCUYBSXSU-BXWFABGCSA-N 1 1 315.461 3.140 10 30 DGEEMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(O[C@@H](C)C#N)cc2)[C@@H](C)C1 ZINC000245750092 662240304 /nfs/dbraw/zinc/24/03/04/662240304.db2.gz NRMLCKCUYBSXSU-BXWFABGCSA-N 1 1 315.461 3.140 10 30 DGEEMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(O[C@@H](C)C#N)cc2)[C@@H](C)C1 ZINC000245750092 662240305 /nfs/dbraw/zinc/24/03/05/662240305.db2.gz NRMLCKCUYBSXSU-BXWFABGCSA-N 1 1 315.461 3.140 10 30 DGEEMO CC(C)[N@@H+](C)CCCNc1cc(Br)ccc1C#N ZINC000226254332 1176767732 /nfs/dbraw/zinc/76/77/32/1176767732.db2.gz OGSFPWDYXHQCIA-UHFFFAOYSA-N 1 1 310.239 3.463 10 30 DGEEMO C[N@@H+](CCCNc1cccc(C#N)c1[N+](=O)[O-])Cc1ccccc1 ZINC000382952372 1197705332 /nfs/dbraw/zinc/70/53/32/1197705332.db2.gz BHKJJVJFEZQVIG-UHFFFAOYSA-N 1 1 324.384 3.400 10 30 DGEEMO C[C@@H]1C[C@H](Nc2cc(Br)ccc2C#N)CC[N@H+]1C ZINC000123363327 1200277227 /nfs/dbraw/zinc/27/72/27/1200277227.db2.gz WEJNXBPHEGSLGJ-ZWNOBZJWSA-N 1 1 308.223 3.215 10 30 DGEEMO C[N@@H+](CCNc1cc(C#N)sc1[N+](=O)[O-])Cc1ccccc1 ZINC000407157765 1094765209 /nfs/dbraw/zinc/76/52/09/1094765209.db2.gz MVSCTYQYJVZSII-UHFFFAOYSA-N 1 1 316.386 3.072 10 30 DGEEMO COCCOCC[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000192068635 1095040793 /nfs/dbraw/zinc/04/07/93/1095040793.db2.gz XBUFRDBBMXFBPK-UHFFFAOYSA-N 1 1 323.436 3.203 10 30 DGEEMO Cc1cc(C#N)ccc1C[N@@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000721443974 1097298452 /nfs/dbraw/zinc/29/84/52/1097298452.db2.gz YSOXWPMHLUACBJ-ZDUSSCGKSA-N 1 1 300.349 3.346 10 30 DGEEMO Cc1cc(C#N)ccc1C[N@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000721443974 1097298455 /nfs/dbraw/zinc/29/84/55/1097298455.db2.gz YSOXWPMHLUACBJ-ZDUSSCGKSA-N 1 1 300.349 3.346 10 30 DGEEMO C/C=C1\C[N@H+]2CC[C@]34c5ccccc5NC3=C(CC=O)[C@H]1C[C@H]24 ZINC000103016912 432001995 /nfs/dbraw/zinc/00/19/95/432001995.db2.gz XYYMIIIQUBXBGN-WEBNNTSLSA-N 1 1 306.409 3.247 10 30 DGEEMO CN(Cc1cc(C#N)ccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310509534 529976372 /nfs/dbraw/zinc/97/63/72/529976372.db2.gz JWUVJGZXVLFIEQ-IBGZPJMESA-N 1 1 323.415 3.404 10 30 DGEEMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000066851613 432022758 /nfs/dbraw/zinc/02/27/58/432022758.db2.gz VCIBSYBJBKQQIB-OXQOHEQNSA-N 1 1 322.408 3.399 10 30 DGEEMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000066851613 432022760 /nfs/dbraw/zinc/02/27/60/432022760.db2.gz VCIBSYBJBKQQIB-OXQOHEQNSA-N 1 1 322.408 3.399 10 30 DGEEMO CC[N@H+]1CCC[C@H](Nc2ccc(Br)cc2C#N)C1 ZINC000130435540 432025220 /nfs/dbraw/zinc/02/52/20/432025220.db2.gz UMTHWSOSHMJSJV-ZDUSSCGKSA-N 1 1 308.223 3.217 10 30 DGEEMO N#Cc1cc(F)ccc1N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000299747501 283099587 /nfs/dbraw/zinc/09/95/87/283099587.db2.gz DFUFOEXTGHINIQ-OAHLLOKOSA-N 1 1 310.376 3.224 10 30 DGEEMO C=C(C)CN(C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000180832777 432101846 /nfs/dbraw/zinc/10/18/46/432101846.db2.gz AHHHVXVMRCPRGP-SFHVURJKSA-N 1 1 315.461 3.259 10 30 DGEEMO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H]2CC)ccc1OC ZINC000449424481 240193973 /nfs/dbraw/zinc/19/39/73/240193973.db2.gz PDPWAYSPEHBYAY-IRXDYDNUSA-N 1 1 319.445 3.243 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)o1 ZINC000091966758 193133699 /nfs/dbraw/zinc/13/36/99/193133699.db2.gz NEMBAIQLHKSEPM-QAPCUYQASA-N 1 1 314.360 3.378 10 30 DGEEMO C=CCC[C@@H](NC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246221953 432108880 /nfs/dbraw/zinc/10/88/80/432108880.db2.gz BKUCQKVIEQWKBM-ZWKOTPCHSA-N 1 1 313.445 3.184 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)cc1C ZINC000487956422 245128075 /nfs/dbraw/zinc/12/80/75/245128075.db2.gz LLZZXMSRLMNITO-OAHLLOKOSA-N 1 1 304.409 3.155 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C ZINC000487956422 245128079 /nfs/dbraw/zinc/12/80/79/245128079.db2.gz LLZZXMSRLMNITO-OAHLLOKOSA-N 1 1 304.409 3.155 10 30 DGEEMO Cc1cnn([C@@H]2CCC[N@@H+](CCCOc3ccc(C#N)cc3)C2)c1 ZINC000171530094 432142316 /nfs/dbraw/zinc/14/23/16/432142316.db2.gz WGAVALAXJXICIG-GOSISDBHSA-N 1 1 324.428 3.169 10 30 DGEEMO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)cc1Br ZINC000061892124 184192987 /nfs/dbraw/zinc/19/29/87/184192987.db2.gz VYZMJHFZOTZLJO-WCQYABFASA-N 1 1 309.207 3.240 10 30 DGEEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000120175413 195111723 /nfs/dbraw/zinc/11/17/23/195111723.db2.gz IEBBCOWHHWOGCK-INIZCTEOSA-N 1 1 312.392 3.293 10 30 DGEEMO C=CCCC[C@H](C)[N@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000091624064 400128393 /nfs/dbraw/zinc/12/83/93/400128393.db2.gz FLLJJPXSIBKMSN-AWEZNQCLSA-N 1 1 320.433 3.319 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000092096154 400155374 /nfs/dbraw/zinc/15/53/74/400155374.db2.gz RNAIGNVQRFXWKQ-YQVWRLOYSA-N 1 1 317.429 3.020 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000092096154 400155378 /nfs/dbraw/zinc/15/53/78/400155378.db2.gz RNAIGNVQRFXWKQ-YQVWRLOYSA-N 1 1 317.429 3.020 10 30 DGEEMO C=CCCC1(CNC(=O)CCCC[NH+]2CCOCC2)CCCC1 ZINC000617416252 400384545 /nfs/dbraw/zinc/38/45/45/400384545.db2.gz HQENPYSJKBVJNH-UHFFFAOYSA-N 1 1 322.493 3.132 10 30 DGEEMO N=C(Nc1c[nH+]c2ccccc2c1N)C(Cl)(Cl)Cl ZINC000034331198 400385116 /nfs/dbraw/zinc/38/51/16/400385116.db2.gz ONCKZQPKKUQSSM-UHFFFAOYSA-N 1 1 303.580 3.176 10 30 DGEEMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114494603 400386816 /nfs/dbraw/zinc/38/68/16/400386816.db2.gz CIIIUAOFQLZEEJ-NEWSRXKRSA-N 1 1 317.477 3.252 10 30 DGEEMO CC[C@@H](C#N)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000601728980 400341112 /nfs/dbraw/zinc/34/11/12/400341112.db2.gz RXCQCUQZUUUXEB-ROUUACIJSA-N 1 1 313.445 3.097 10 30 DGEEMO N#CCCC[N@H+](CC[C@H](O)C(F)(F)F)Cc1ccccc1 ZINC000038958086 400397174 /nfs/dbraw/zinc/39/71/74/400397174.db2.gz RNJTTZITQKQIRH-AWEZNQCLSA-N 1 1 300.324 3.106 10 30 DGEEMO C=C[C@H]([NH2+]C)c1ncc(Br)cc1Br ZINC000133296539 400569545 /nfs/dbraw/zinc/56/95/45/400569545.db2.gz MWUOIRXOYCBGGS-QMMMGPOBSA-N 1 1 306.001 3.053 10 30 DGEEMO C=CC[N@H+](CCC[C@H]1CCOC1)Cc1cccc([N+](=O)[O-])c1 ZINC000592065134 400601380 /nfs/dbraw/zinc/60/13/80/400601380.db2.gz NQOXMPNNIIBPCP-HNNXBMFYSA-N 1 1 304.390 3.400 10 30 DGEEMO C=C(C)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130739 400611057 /nfs/dbraw/zinc/61/10/57/400611057.db2.gz LNTLQZJYQSVQIR-WKILWMFISA-N 1 1 304.390 3.276 10 30 DGEEMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000076737922 400669602 /nfs/dbraw/zinc/66/96/02/400669602.db2.gz NKGORZINZAEXOF-GFCCVEGCSA-N 1 1 305.809 3.437 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC000614384742 400890279 /nfs/dbraw/zinc/89/02/79/400890279.db2.gz MHPBWIGVPWMCIV-ZDUSSCGKSA-N 1 1 324.852 3.305 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)Nc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC000614384742 400890280 /nfs/dbraw/zinc/89/02/80/400890280.db2.gz MHPBWIGVPWMCIV-ZDUSSCGKSA-N 1 1 324.852 3.305 10 30 DGEEMO C=CCN(Cc1ccccc1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000261401000 401112144 /nfs/dbraw/zinc/11/21/44/401112144.db2.gz GMWKRWMFVDCXDU-OAQYLSRUSA-N 1 1 324.468 3.168 10 30 DGEEMO C=CC[N@H+](Cc1ccccc1)C[C@H](O)CN(C)Cc1ccccc1 ZINC000261401000 401112147 /nfs/dbraw/zinc/11/21/47/401112147.db2.gz GMWKRWMFVDCXDU-OAQYLSRUSA-N 1 1 324.468 3.168 10 30 DGEEMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)CN(C)Cc1ccccc1 ZINC000261401000 401112155 /nfs/dbraw/zinc/11/21/55/401112155.db2.gz GMWKRWMFVDCXDU-OAQYLSRUSA-N 1 1 324.468 3.168 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000625703955 401187951 /nfs/dbraw/zinc/18/79/51/401187951.db2.gz QFHCUDUXHIHHPH-HUUCEWRRSA-N 1 1 304.409 3.243 10 30 DGEEMO C=CC[C@@H]1CC[N@@H+](CC(=O)N2CCSc3ccccc32)C1 ZINC000625705151 401188248 /nfs/dbraw/zinc/18/82/48/401188248.db2.gz XNRSAKNLZSZEKJ-CQSZACIVSA-N 1 1 302.443 3.023 10 30 DGEEMO C=C[C@H](CO)[NH2+]Cc1cc(Cl)c(OC(C)C)cc1Cl ZINC000623574705 401548728 /nfs/dbraw/zinc/54/87/28/401548728.db2.gz UXUVKORMIUVRJN-LLVKDONJSA-N 1 1 304.217 3.417 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000628486113 401606670 /nfs/dbraw/zinc/60/66/70/401606670.db2.gz AWZSSHPEJYCXFT-PKOBYXMFSA-N 1 1 312.457 3.323 10 30 DGEEMO N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000187364236 165087220 /nfs/dbraw/zinc/08/72/20/165087220.db2.gz YIYCLRUQWBBRND-HXUWFJFHSA-N 1 1 321.424 3.019 10 30 DGEEMO N#Cc1ccccc1Cn1cccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000187364236 165087225 /nfs/dbraw/zinc/08/72/25/165087225.db2.gz YIYCLRUQWBBRND-HXUWFJFHSA-N 1 1 321.424 3.019 10 30 DGEEMO N#Cc1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000228719904 165390626 /nfs/dbraw/zinc/39/06/26/165390626.db2.gz CJNLAFYBKSLVFU-RDJZCZTQSA-N 1 1 304.821 3.339 10 30 DGEEMO C=CCOc1cccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1 ZINC000247286060 432218417 /nfs/dbraw/zinc/21/84/17/432218417.db2.gz YWPVOUANRPSJRJ-YTQUADARSA-N 1 1 317.429 3.020 10 30 DGEEMO N#Cc1ncccc1NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000357192913 268327508 /nfs/dbraw/zinc/32/75/08/268327508.db2.gz ULDFNIGYNBXAIA-KRWDZBQOSA-N 1 1 306.413 3.420 10 30 DGEEMO C=C[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC)c1ccccc1 ZINC000247920974 432254043 /nfs/dbraw/zinc/25/40/43/432254043.db2.gz BSUPKPVNDIEECR-QRQLOZEOSA-N 1 1 312.457 3.432 10 30 DGEEMO C[C@@H]1CCC[N@H+]1C1CCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000154896782 274292813 /nfs/dbraw/zinc/29/28/13/274292813.db2.gz YRHOURKCFRIMCT-GFCCVEGCSA-N 1 1 304.825 3.060 10 30 DGEEMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249591316 278306611 /nfs/dbraw/zinc/30/66/11/278306611.db2.gz VNLRCDKRMKIZPB-JEBQAFNWSA-N 1 1 312.438 3.389 10 30 DGEEMO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000116299093 431502493 /nfs/dbraw/zinc/50/24/93/431502493.db2.gz GAPYXOHXSCQDHB-QGZVFWFLSA-N 1 1 323.396 3.363 10 30 DGEEMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000116299093 431502499 /nfs/dbraw/zinc/50/24/99/431502499.db2.gz GAPYXOHXSCQDHB-QGZVFWFLSA-N 1 1 323.396 3.363 10 30 DGEEMO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccco1)C1(C#N)CCCCC1 ZINC000116298991 431504545 /nfs/dbraw/zinc/50/45/45/431504545.db2.gz WIAAGYCCXADOSK-HNNXBMFYSA-N 1 1 315.417 3.101 10 30 DGEEMO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccco1)C1(C#N)CCCCC1 ZINC000116298991 431504550 /nfs/dbraw/zinc/50/45/50/431504550.db2.gz WIAAGYCCXADOSK-HNNXBMFYSA-N 1 1 315.417 3.101 10 30 DGEEMO C=CCCC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000076736070 431562087 /nfs/dbraw/zinc/56/20/87/431562087.db2.gz XCGYZMADCYXFEL-UHFFFAOYSA-N 1 1 317.458 3.335 10 30 DGEEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc(O[C@@H](C)C#N)cc3)C2)c1 ZINC000123014582 431852675 /nfs/dbraw/zinc/85/26/75/431852675.db2.gz ROMXXRKEXKTKDV-FUHWJXTLSA-N 1 1 324.428 3.320 10 30 DGEEMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000093757816 431917349 /nfs/dbraw/zinc/91/73/49/431917349.db2.gz LPAKKSFBCURQFS-CYBMUJFWSA-N 1 1 321.446 3.109 10 30 DGEEMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000093757816 431917352 /nfs/dbraw/zinc/91/73/52/431917352.db2.gz LPAKKSFBCURQFS-CYBMUJFWSA-N 1 1 321.446 3.109 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1OC ZINC000091979074 431906564 /nfs/dbraw/zinc/90/65/64/431906564.db2.gz HLLYLBQRORKWSS-DLBZAZTESA-N 1 1 317.429 3.403 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1OC ZINC000091979074 431906565 /nfs/dbraw/zinc/90/65/65/431906565.db2.gz HLLYLBQRORKWSS-DLBZAZTESA-N 1 1 317.429 3.403 10 30 DGEEMO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1nncs1 ZINC000048571957 431928787 /nfs/dbraw/zinc/92/87/87/431928787.db2.gz XXFYIAPQYKVEKC-SECBINFHSA-N 1 1 310.810 3.473 10 30 DGEEMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1nncs1 ZINC000048571957 431928789 /nfs/dbraw/zinc/92/87/89/431928789.db2.gz XXFYIAPQYKVEKC-SECBINFHSA-N 1 1 310.810 3.473 10 30 DGEEMO CC(C)c1csc(C[NH2+]Cc2cnc3ccc(C#N)cn23)n1 ZINC000125661876 431932968 /nfs/dbraw/zinc/93/29/68/431932968.db2.gz FPXNSUVJVNLCEF-UHFFFAOYSA-N 1 1 311.414 3.076 10 30 DGEEMO O[C@]12CCCC[C@H]1C[N@@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000248185593 432274245 /nfs/dbraw/zinc/27/42/45/432274245.db2.gz XGIGOGZCNRTDIX-WMZOPIPTSA-N 1 1 303.833 3.319 10 30 DGEEMO C=CCN(Cc1ccccc1F)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000057869592 431994114 /nfs/dbraw/zinc/99/41/14/431994114.db2.gz DKAGDJFPLVILDJ-MRXNPFEDSA-N 1 1 319.424 3.008 10 30 DGEEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192009042 432321281 /nfs/dbraw/zinc/32/12/81/432321281.db2.gz LWWHDYIVCXDFSU-KRWDZBQOSA-N 1 1 312.392 3.385 10 30 DGEEMO COc1cc(C)c(C[N@@H+](C)CC#Cc2ccccc2)cc1OC ZINC000191875625 432310015 /nfs/dbraw/zinc/31/00/15/432310015.db2.gz ATMXOZIHVVPPQK-UHFFFAOYSA-N 1 1 309.409 3.496 10 30 DGEEMO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NCc1ccc(C#N)o1 ZINC000184536659 432403436 /nfs/dbraw/zinc/40/34/36/432403436.db2.gz VVKSIHDHRBMDHY-IBGZPJMESA-N 1 1 311.429 3.397 10 30 DGEEMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NCc1ccc(C#N)o1 ZINC000184536659 432403438 /nfs/dbraw/zinc/40/34/38/432403438.db2.gz VVKSIHDHRBMDHY-IBGZPJMESA-N 1 1 311.429 3.397 10 30 DGEEMO CC#CCCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000185958446 432549369 /nfs/dbraw/zinc/54/93/69/432549369.db2.gz MJVBFJBLMQYOEL-SJLPKXTDSA-N 1 1 318.848 3.395 10 30 DGEEMO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000185958446 432549371 /nfs/dbraw/zinc/54/93/71/432549371.db2.gz MJVBFJBLMQYOEL-SJLPKXTDSA-N 1 1 318.848 3.395 10 30 DGEEMO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000186292670 432580155 /nfs/dbraw/zinc/58/01/55/432580155.db2.gz SHHRLBSVRSWGCX-LJQANCHMSA-N 1 1 319.408 3.104 10 30 DGEEMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000186292670 432580157 /nfs/dbraw/zinc/58/01/57/432580157.db2.gz SHHRLBSVRSWGCX-LJQANCHMSA-N 1 1 319.408 3.104 10 30 DGEEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177372725 432617399 /nfs/dbraw/zinc/61/73/99/432617399.db2.gz ULFJKPDFUMEDCL-SFHVURJKSA-N 1 1 313.832 3.361 10 30 DGEEMO CCOCC[N@H+]1CCN([C@@H](C)c2cccc(C#N)c2)C[C@@H]1CC ZINC000187682406 432677039 /nfs/dbraw/zinc/67/70/39/432677039.db2.gz IMOYDXHVQMQJGL-LPHOPBHVSA-N 1 1 315.461 3.052 10 30 DGEEMO CCOCCN1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C[C@@H]1CC ZINC000187682406 432677041 /nfs/dbraw/zinc/67/70/41/432677041.db2.gz IMOYDXHVQMQJGL-LPHOPBHVSA-N 1 1 315.461 3.052 10 30 DGEEMO CCOCCN1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C[C@@H]1CC ZINC000187682406 432677046 /nfs/dbraw/zinc/67/70/46/432677046.db2.gz IMOYDXHVQMQJGL-LPHOPBHVSA-N 1 1 315.461 3.052 10 30 DGEEMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1sccc1C#N ZINC000245439397 432830488 /nfs/dbraw/zinc/83/04/88/432830488.db2.gz FUNIBACSDAICIN-YRGRVCCFSA-N 1 1 303.431 3.211 10 30 DGEEMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000245808265 432864259 /nfs/dbraw/zinc/86/42/59/432864259.db2.gz YYHHSDAXIXILPA-KSSFIOAISA-N 1 1 310.401 3.048 10 30 DGEEMO O=C(NC[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000330300485 432903884 /nfs/dbraw/zinc/90/38/84/432903884.db2.gz NFIQCYYYZXJDPN-XIRDDKMYSA-N 1 1 308.466 3.291 10 30 DGEEMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1(COC)CCC1 ZINC000361289217 433086520 /nfs/dbraw/zinc/08/65/20/433086520.db2.gz PREFOMBOZKDFRJ-UHFFFAOYSA-N 1 1 304.390 3.400 10 30 DGEEMO C=CCCCCC[N@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC000374552858 433220715 /nfs/dbraw/zinc/22/07/15/433220715.db2.gz SJEJSYVQSPJROM-MRXNPFEDSA-N 1 1 304.434 3.468 10 30 DGEEMO C[C@H](NC[C@H]1CCCC[N@@H+]1C1CC1)c1ccc(C#N)cc1F ZINC000447600484 433245906 /nfs/dbraw/zinc/24/59/06/433245906.db2.gz MGWNNLHOUNUMFY-XJKSGUPXSA-N 1 1 301.409 3.365 10 30 DGEEMO C[C@H](NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(C#N)cc1F ZINC000447600484 433245915 /nfs/dbraw/zinc/24/59/15/433245915.db2.gz MGWNNLHOUNUMFY-XJKSGUPXSA-N 1 1 301.409 3.365 10 30 DGEEMO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000338810134 433323756 /nfs/dbraw/zinc/32/37/56/433323756.db2.gz YBUFUHWCFAGHDX-HOTGVXAUSA-N 1 1 317.481 3.042 10 30 DGEEMO C=CCCCNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000448247366 433377677 /nfs/dbraw/zinc/37/76/77/433377677.db2.gz DOYHQUPWCLCBKV-UHFFFAOYSA-N 1 1 315.461 3.259 10 30 DGEEMO C=CCCCNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000448031747 433353549 /nfs/dbraw/zinc/35/35/49/433353549.db2.gz RVJATJHLMSUIHN-IRXDYDNUSA-N 1 1 315.461 3.257 10 30 DGEEMO CC#CC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000283825619 433784181 /nfs/dbraw/zinc/78/41/81/433784181.db2.gz UFKUYWPQTUZHHZ-WBVHZDCISA-N 1 1 322.811 3.142 10 30 DGEEMO CC#CC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000283825619 433784184 /nfs/dbraw/zinc/78/41/84/433784184.db2.gz UFKUYWPQTUZHHZ-WBVHZDCISA-N 1 1 322.811 3.142 10 30 DGEEMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)cc1 ZINC000376672858 433797702 /nfs/dbraw/zinc/79/77/02/433797702.db2.gz OZWZHVYPBIDTMH-HNAYVOBHSA-N 1 1 324.428 3.438 10 30 DGEEMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000305059915 434028684 /nfs/dbraw/zinc/02/86/84/434028684.db2.gz GGAHPCBESOPSCJ-WMLDXEAASA-N 1 1 305.418 3.168 10 30 DGEEMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H]1CCCCNC1=O ZINC000328754610 434305570 /nfs/dbraw/zinc/30/55/70/434305570.db2.gz DURMRGIBARJIKX-QLFBSQMISA-N 1 1 309.454 3.210 10 30 DGEEMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H]1CCCCNC1=O ZINC000328755628 434311085 /nfs/dbraw/zinc/31/10/85/434311085.db2.gz FIXYYNVYKOEUBB-FZKCQIBNSA-N 1 1 323.481 3.456 10 30 DGEEMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000328795495 434312544 /nfs/dbraw/zinc/31/25/44/434312544.db2.gz UCXBSZHJKULSLP-CABCVRRESA-N 1 1 309.454 3.210 10 30 DGEEMO CC(=O)N[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCC1 ZINC000329623714 434443424 /nfs/dbraw/zinc/44/34/24/434443424.db2.gz NVLLTMQLDMZFAN-HMQMGEFJSA-N 1 1 321.465 3.493 10 30 DGEEMO C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000359252371 434413983 /nfs/dbraw/zinc/41/39/83/434413983.db2.gz LGCCZXVVCKZGOA-OAGGEKHMSA-N 1 1 317.481 3.041 10 30 DGEEMO C=CCn1cc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)nn1 ZINC000424294082 434681228 /nfs/dbraw/zinc/68/12/28/434681228.db2.gz JTKFHAJSXKZGJC-MRXNPFEDSA-N 1 1 302.809 3.358 10 30 DGEEMO C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000372384865 434820496 /nfs/dbraw/zinc/82/04/96/434820496.db2.gz MZVKIOHDLLCADO-CVEARBPZSA-N 1 1 306.450 3.121 10 30 DGEEMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2(C)C)C1=O ZINC000528743949 435027841 /nfs/dbraw/zinc/02/78/41/435027841.db2.gz IJGMXWWAFYDYKP-DLBZAZTESA-N 1 1 316.420 3.181 10 30 DGEEMO C=CCCN(C)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000466765090 435093459 /nfs/dbraw/zinc/09/34/59/435093459.db2.gz FAVCWKUGFNZULY-LJQANCHMSA-N 1 1 315.461 3.259 10 30 DGEEMO C=CCOCC[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000559154799 435122879 /nfs/dbraw/zinc/12/28/79/435122879.db2.gz GGMATLSKQCTPKY-JYJNAYRXSA-N 1 1 309.450 3.164 10 30 DGEEMO C=CC[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C1CC1 ZINC000536742410 435409232 /nfs/dbraw/zinc/40/92/32/435409232.db2.gz KHKAZPZBLCARKJ-GFCCVEGCSA-N 1 1 316.228 3.384 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000537693329 435462854 /nfs/dbraw/zinc/46/28/54/435462854.db2.gz URAVPXLPHXPERO-MSOLQXFVSA-N 1 1 301.430 3.500 10 30 DGEEMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CCC(C)C ZINC000482689978 435478641 /nfs/dbraw/zinc/47/86/41/435478641.db2.gz NZMKKDGWWRLICJ-KRWDZBQOSA-N 1 1 306.406 3.380 10 30 DGEEMO C=CCOc1ccccc1CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000539850481 435576815 /nfs/dbraw/zinc/57/68/15/435576815.db2.gz OHMMPURTCRIHTL-SFHVURJKSA-N 1 1 314.473 3.415 10 30 DGEEMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000532460832 336248585 /nfs/dbraw/zinc/24/85/85/336248585.db2.gz LHWLMHRMPITQPO-UHFFFAOYSA-N 1 1 318.465 3.300 10 30 DGEEMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000532460832 336248586 /nfs/dbraw/zinc/24/85/86/336248586.db2.gz LHWLMHRMPITQPO-UHFFFAOYSA-N 1 1 318.465 3.300 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000185053393 337201545 /nfs/dbraw/zinc/20/15/45/337201545.db2.gz QRAAFUGAUUFRGC-WMZOPIPTSA-N 1 1 300.446 3.370 10 30 DGEEMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2CCc2ccccc2)C1=O ZINC000499594410 340040162 /nfs/dbraw/zinc/04/01/62/340040162.db2.gz SVYYRSWQXATZSL-OALUTQOASA-N 1 1 312.457 3.261 10 30 DGEEMO C=CCCC[N@@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000075862525 341186621 /nfs/dbraw/zinc/18/66/21/341186621.db2.gz UKWSTWQLXIUWON-CYBMUJFWSA-N 1 1 306.372 3.075 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000076735499 341213260 /nfs/dbraw/zinc/21/32/60/341213260.db2.gz ZPGIKOJMJCWEJF-UHFFFAOYSA-N 1 1 315.461 3.432 10 30 DGEEMO CCC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000156677011 521362110 /nfs/dbraw/zinc/36/21/10/521362110.db2.gz KYFUJOHUXOTOFS-ZDUSSCGKSA-N 1 1 305.447 3.459 10 30 DGEEMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1c1ccco1 ZINC000158411001 522043293 /nfs/dbraw/zinc/04/32/93/522043293.db2.gz MWZKSEKGDVXCJH-HNNXBMFYSA-N 1 1 312.369 3.376 10 30 DGEEMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000318446087 534784591 /nfs/dbraw/zinc/78/45/91/534784591.db2.gz OWZQPKJOGIRRQU-JQHSSLGASA-N 1 1 302.393 3.213 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000449460891 534882285 /nfs/dbraw/zinc/88/22/85/534882285.db2.gz ODWZHPKGELNLBJ-QRVBRYPASA-N 1 1 301.430 3.377 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1OC ZINC000449681300 534883363 /nfs/dbraw/zinc/88/33/63/534883363.db2.gz DNQUKZVSXZJBMG-IBGZPJMESA-N 1 1 317.429 3.263 10 30 DGEEMO C=CCN(CCc1ccco1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000355822570 526317993 /nfs/dbraw/zinc/31/79/93/526317993.db2.gz UYEFRSGNAKYADJ-MRXNPFEDSA-N 1 1 304.434 3.101 10 30 DGEEMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCO[C@@H](C)C1 ZINC000352691733 526349527 /nfs/dbraw/zinc/34/95/27/526349527.db2.gz NDXZSUOLZPZXQE-GOEBONIOSA-N 1 1 304.390 3.398 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000341483289 526705522 /nfs/dbraw/zinc/70/55/22/526705522.db2.gz KBDYQNXKSCBCAO-WMZOPIPTSA-N 1 1 300.446 3.322 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000185093568 526711832 /nfs/dbraw/zinc/71/18/32/526711832.db2.gz PNIANSCLRWQTEY-KBPBESRZSA-N 1 1 306.475 3.213 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000185093568 526711837 /nfs/dbraw/zinc/71/18/37/526711837.db2.gz PNIANSCLRWQTEY-KBPBESRZSA-N 1 1 306.475 3.213 10 30 DGEEMO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000338810142 526733985 /nfs/dbraw/zinc/73/39/85/526733985.db2.gz YBUFUHWCFAGHDX-JKSUJKDBSA-N 1 1 317.481 3.042 10 30 DGEEMO C=CCOc1ccc(C[N@H+](CCO)Cc2ccc(C)o2)cc1 ZINC000355663813 526863374 /nfs/dbraw/zinc/86/33/74/526863374.db2.gz UHLKRSVONKVTJC-UHFFFAOYSA-N 1 1 301.386 3.147 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2CCC(=O)NC)cc1 ZINC000348839810 526865390 /nfs/dbraw/zinc/86/53/90/526865390.db2.gz YFAIJFDKNNXHLC-KRWDZBQOSA-N 1 1 316.445 3.132 10 30 DGEEMO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cc1 ZINC000130911914 527115224 /nfs/dbraw/zinc/11/52/24/527115224.db2.gz XYAWVDBJIHGCPU-HUUCEWRRSA-N 1 1 324.428 3.038 10 30 DGEEMO C=CC[C@H](CC)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000337089001 527162071 /nfs/dbraw/zinc/16/20/71/527162071.db2.gz IARWFCNDWTTWJY-NSHDSACASA-N 1 1 320.343 3.289 10 30 DGEEMO C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000181414337 527287112 /nfs/dbraw/zinc/28/71/12/527287112.db2.gz SMEZBBPUHTYKOK-GOEBONIOSA-N 1 1 304.438 3.110 10 30 DGEEMO C=CCn1c([C@H](C)CC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000351078901 527355722 /nfs/dbraw/zinc/35/57/22/527355722.db2.gz ZKRAFKCNQIGFTO-OAGGEKHMSA-N 1 1 319.497 3.144 10 30 DGEEMO CC(C)(C#N)CCC[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000174859108 527462769 /nfs/dbraw/zinc/46/27/69/527462769.db2.gz XZYSFSJSLPBXGL-UHFFFAOYSA-N 1 1 319.474 3.226 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433313087 527612974 /nfs/dbraw/zinc/61/29/74/527612974.db2.gz OTRFRVUZZCQKQP-MRXNPFEDSA-N 1 1 318.848 3.330 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433313087 527612979 /nfs/dbraw/zinc/61/29/79/527612979.db2.gz OTRFRVUZZCQKQP-MRXNPFEDSA-N 1 1 318.848 3.330 10 30 DGEEMO CC[N@H+]1CCC[C@H](Nc2cccc(Br)c2C#N)C1 ZINC000168495242 529091943 /nfs/dbraw/zinc/09/19/43/529091943.db2.gz KYRGRUVHIZDSQR-NSHDSACASA-N 1 1 308.223 3.217 10 30 DGEEMO Clc1cccc(C#CC[N@@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000157275294 546039346 /nfs/dbraw/zinc/03/93/46/546039346.db2.gz ACHLYVNNLUMAGQ-SFHVURJKSA-N 1 1 312.800 3.240 10 30 DGEEMO Clc1cccc(C#CC[N@H+]2CC[C@H](Oc3cccnc3)C2)c1 ZINC000157275294 546039349 /nfs/dbraw/zinc/03/93/49/546039349.db2.gz ACHLYVNNLUMAGQ-SFHVURJKSA-N 1 1 312.800 3.240 10 30 DGEEMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)COc1ccc(C)cc1 ZINC000248019212 546313561 /nfs/dbraw/zinc/31/35/61/546313561.db2.gz LSDVPVBDXIJRQV-INIZCTEOSA-N 1 1 317.454 3.484 10 30 DGEEMO CC(C)Nc1ncccc1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000329622218 546488406 /nfs/dbraw/zinc/48/84/06/546488406.db2.gz HEMPHQLLFYGLQK-AWEZNQCLSA-N 1 1 316.449 3.223 10 30 DGEEMO N#C[C@@H]1C[N@@H+](Cn2ccc(=S)c3ccccc32)CCN1C1CC1 ZINC000732673043 574578366 /nfs/dbraw/zinc/57/83/66/574578366.db2.gz SUWHSKYHPKEROI-OAHLLOKOSA-N 1 1 324.453 3.000 10 30 DGEEMO C[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H]1CCCOC1 ZINC000735310063 574696897 /nfs/dbraw/zinc/69/68/97/574696897.db2.gz YXHKQSBBIDWJDB-CYBMUJFWSA-N 1 1 308.809 3.101 10 30 DGEEMO C=CCCC(=O)OC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000735902270 574721220 /nfs/dbraw/zinc/72/12/20/574721220.db2.gz DHKHRWYYYFAOHK-QAPCUYQASA-N 1 1 303.402 3.197 10 30 DGEEMO C=CC[N@@H+](CC(=O)Nc1ccnn1CC1CCCCC1)C(C)C ZINC000741777294 574969992 /nfs/dbraw/zinc/96/99/92/574969992.db2.gz LXKCDNAZWDIVEZ-UHFFFAOYSA-N 1 1 318.465 3.298 10 30 DGEEMO C[C@](O)(C[N@H+]1CCCC(F)(F)CC1)C(F)(F)C(F)(F)F ZINC000724115938 655744162 /nfs/dbraw/zinc/74/41/62/655744162.db2.gz UOOBPYBQNACKDY-QMMMGPOBSA-N 1 1 311.241 3.056 10 30 DGEEMO N#C[C@@H]1CCC[C@H]1N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716655243 661226204 /nfs/dbraw/zinc/22/62/04/661226204.db2.gz NYOMDYLVALLHMS-UHZRXMQZSA-N 1 1 309.457 3.321 10 30 DGEEMO CC(=CC(O)=CC(=O)NC1CCCCC1)[NH2+]C1CCCCC1 ZINC000229797842 659283252 /nfs/dbraw/zinc/28/32/52/659283252.db2.gz YJVWDJUINXMQBF-OWBHPGMISA-N 1 1 306.450 3.221 10 30 DGEEMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCC#Cc1ccccc1 ZINC000088726961 662233884 /nfs/dbraw/zinc/23/38/84/662233884.db2.gz FWOUREALCBAIKV-RXVVDRJESA-N 1 1 304.437 3.148 10 30 DGEEMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCC#Cc1ccccc1 ZINC000088726961 662233887 /nfs/dbraw/zinc/23/38/87/662233887.db2.gz FWOUREALCBAIKV-RXVVDRJESA-N 1 1 304.437 3.148 10 30 DGEEMO C#CCCOc1ccc(C[N@@H+](C)[C@H]2CCN(CC)C[C@@H]2C)cc1 ZINC000245695102 662238373 /nfs/dbraw/zinc/23/83/73/662238373.db2.gz CEYMSMKWTPPUSF-PXNSSMCTSA-N 1 1 314.473 3.251 10 30 DGEEMO C#CCCOc1ccc(C[N@H+](C)[C@H]2CCN(CC)C[C@@H]2C)cc1 ZINC000245695102 662238376 /nfs/dbraw/zinc/23/83/76/662238376.db2.gz CEYMSMKWTPPUSF-PXNSSMCTSA-N 1 1 314.473 3.251 10 30 DGEEMO C#CCCOc1ccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000245695102 662238379 /nfs/dbraw/zinc/23/83/79/662238379.db2.gz CEYMSMKWTPPUSF-PXNSSMCTSA-N 1 1 314.473 3.251 10 30 DGEEMO C#CCCOc1ccc(CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000245695102 662238382 /nfs/dbraw/zinc/23/83/82/662238382.db2.gz CEYMSMKWTPPUSF-PXNSSMCTSA-N 1 1 314.473 3.251 10 30 DGEEMO C=CCc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c(O)c(OC)c1 ZINC000247143008 662302461 /nfs/dbraw/zinc/30/24/61/662302461.db2.gz XFAOGNTWANQAOQ-IAGOWNOFSA-N 1 1 317.429 3.273 10 30 DGEEMO C[N@H+]1CCCC[C@H]1CNc1cc(Br)ccc1C#N ZINC000123211105 1200275799 /nfs/dbraw/zinc/27/57/99/1200275799.db2.gz LGVRFAHTKKLFOM-ZDUSSCGKSA-N 1 1 308.223 3.217 10 30 DGEEMO C[C@@H](Cc1ccsc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156633946 1202601001 /nfs/dbraw/zinc/60/10/01/1202601001.db2.gz RVWICCHRAKLVOK-GUYCJALGSA-N 1 1 300.427 3.216 10 30 DGEEMO C=CC[NH+]1CCC(NCc2cccc(OC)c2OC(C)C)CC1 ZINC000237187911 1202655173 /nfs/dbraw/zinc/65/51/73/1202655173.db2.gz QIRCEGQVIYEUNB-UHFFFAOYSA-N 1 1 318.461 3.222 10 30 DGEEMO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cc(C#N)cs3)C2)n1 ZINC000092813381 185343259 /nfs/dbraw/zinc/34/32/59/185343259.db2.gz BHTXCKGQCNTSFI-AWEZNQCLSA-N 1 1 312.442 3.257 10 30 DGEEMO Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)n1 ZINC000092813381 185343260 /nfs/dbraw/zinc/34/32/60/185343260.db2.gz BHTXCKGQCNTSFI-AWEZNQCLSA-N 1 1 312.442 3.257 10 30 DGEEMO CC(C)[N@@H+]1C[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000164714994 432051148 /nfs/dbraw/zinc/05/11/48/432051148.db2.gz OTEJHHABEZHKNI-NHYWBVRUSA-N 1 1 320.824 3.062 10 30 DGEEMO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCn3nc(CC)nc32)cc1 ZINC000167783975 432066980 /nfs/dbraw/zinc/06/69/80/432066980.db2.gz WTIHYCORYIXSBB-WMLDXEAASA-N 1 1 324.428 3.038 10 30 DGEEMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCc2ccccc21 ZINC000179906768 432073980 /nfs/dbraw/zinc/07/39/80/432073980.db2.gz FGPRTFURLKQIAO-GOSISDBHSA-N 1 1 302.381 3.325 10 30 DGEEMO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](CO)[C@H]2CC)ccc1OC ZINC000449424478 240196146 /nfs/dbraw/zinc/19/61/46/240196146.db2.gz PDPWAYSPEHBYAY-DLBZAZTESA-N 1 1 319.445 3.243 10 30 DGEEMO C=CCOCCCC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452350169 241391921 /nfs/dbraw/zinc/39/19/21/241391921.db2.gz CNUFPSLEXNYFRN-UHFFFAOYSA-N 1 1 313.401 3.222 10 30 DGEEMO C=CC[N@@H+](CC[C@H]1C[C@H](C)C[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246243297 432112024 /nfs/dbraw/zinc/11/20/24/432112024.db2.gz OHOFZSWVADRIST-HZMVEIRTSA-N 1 1 313.507 3.124 10 30 DGEEMO C=CC[N@H+](CC[C@H]1C[C@H](C)C[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246243297 432112026 /nfs/dbraw/zinc/11/20/26/432112026.db2.gz OHOFZSWVADRIST-HZMVEIRTSA-N 1 1 313.507 3.124 10 30 DGEEMO CN(Cc1ccc(C#N)o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336835 193233822 /nfs/dbraw/zinc/23/38/22/193233822.db2.gz CMIGESPBAGJBTC-QGZVFWFLSA-N 1 1 309.413 3.105 10 30 DGEEMO CC[N@H+](Cc1ccc(C#N)o1)CC1CCN(c2ccccn2)CC1 ZINC000093564655 193269829 /nfs/dbraw/zinc/26/98/29/193269829.db2.gz WRBXTFRCTSFXFZ-UHFFFAOYSA-N 1 1 324.428 3.285 10 30 DGEEMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246436854 432130384 /nfs/dbraw/zinc/13/03/84/432130384.db2.gz CXSAIVOYNQLQHI-ZTFGCOKTSA-N 1 1 315.392 3.157 10 30 DGEEMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246436854 432130386 /nfs/dbraw/zinc/13/03/86/432130386.db2.gz CXSAIVOYNQLQHI-ZTFGCOKTSA-N 1 1 315.392 3.157 10 30 DGEEMO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)CC[C@H]1C ZINC000249007247 285045522 /nfs/dbraw/zinc/04/55/22/285045522.db2.gz JEOOTPBIUNTGOG-IAQYHMDHSA-N 1 1 323.234 3.178 10 30 DGEEMO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)CC[C@H]1C ZINC000249007247 285045526 /nfs/dbraw/zinc/04/55/26/285045526.db2.gz JEOOTPBIUNTGOG-IAQYHMDHSA-N 1 1 323.234 3.178 10 30 DGEEMO CC[N@@H+](CCc1nccs1)Cc1ccc(OC)c(C#N)c1 ZINC000159247194 197338905 /nfs/dbraw/zinc/33/89/05/197338905.db2.gz KTGMPUAKKAIGPL-UHFFFAOYSA-N 1 1 301.415 3.088 10 30 DGEEMO Cc1[nH+]ccn1CCCN(C)c1cc(C#N)nc2ccccc21 ZINC000120229670 195123508 /nfs/dbraw/zinc/12/35/08/195123508.db2.gz CRSBSVREDAYXDS-UHFFFAOYSA-N 1 1 305.385 3.138 10 30 DGEEMO C=CCOC[C@@H]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2ccc(F)cc2)O1 ZINC000503719103 257208708 /nfs/dbraw/zinc/20/87/08/257208708.db2.gz XVNCDTMQCTXAGO-OKZBNKHCSA-N 1 1 305.393 3.150 10 30 DGEEMO C=C(Br)C[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000125017382 195703963 /nfs/dbraw/zinc/70/39/63/195703963.db2.gz FUGJXOLBFJECGL-SNVBAGLBSA-N 1 1 300.196 3.263 10 30 DGEEMO C=CCOc1ccc(CN2CC[C@@H](C[N@H+](C)CCC)C2)cc1 ZINC000093741909 400253900 /nfs/dbraw/zinc/25/39/00/400253900.db2.gz HBJSVMKJRAXJQV-SFHVURJKSA-N 1 1 302.462 3.415 10 30 DGEEMO C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000617044656 400292060 /nfs/dbraw/zinc/29/20/60/400292060.db2.gz QIZYEUCFNAIDBT-GDBMZVCRSA-N 1 1 317.433 3.135 10 30 DGEEMO C=CCN1CC[C@@H]([N@@H+](C)CCc2ccc(C(C)(C)C)cc2)C1=O ZINC000580984152 400349838 /nfs/dbraw/zinc/34/98/38/400349838.db2.gz IRRYUZFUVJNXSC-GOSISDBHSA-N 1 1 314.473 3.245 10 30 DGEEMO N#CCCC[N@H+](CC[C@@H](O)C(F)(F)F)Cc1ccccc1 ZINC000038958087 400397247 /nfs/dbraw/zinc/39/72/47/400397247.db2.gz RNJTTZITQKQIRH-CQSZACIVSA-N 1 1 300.324 3.106 10 30 DGEEMO N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000611551522 400420050 /nfs/dbraw/zinc/42/00/50/400420050.db2.gz MKLGTVIIDVWMKU-IBGZPJMESA-N 1 1 309.388 3.208 10 30 DGEEMO N#CCc1ccc(C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)cc1 ZINC000612104117 400492807 /nfs/dbraw/zinc/49/28/07/400492807.db2.gz PKTYLJAVGNAKDA-KRWDZBQOSA-N 1 1 321.428 3.059 10 30 DGEEMO C=CCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620192478 401010308 /nfs/dbraw/zinc/01/03/08/401010308.db2.gz MYVYAGVFTQHCHK-GOSISDBHSA-N 1 1 312.457 3.371 10 30 DGEEMO C=CCCC(C)(C)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000633965065 401168377 /nfs/dbraw/zinc/16/83/77/401168377.db2.gz WSONYTGVQJGKDU-KRWDZBQOSA-N 1 1 315.461 3.155 10 30 DGEEMO C=CCCC(C)(C)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000633965065 401168381 /nfs/dbraw/zinc/16/83/81/401168381.db2.gz WSONYTGVQJGKDU-KRWDZBQOSA-N 1 1 315.461 3.155 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2OCC)C1 ZINC000625701767 401185855 /nfs/dbraw/zinc/18/58/55/401185855.db2.gz AODHOHPAOOERPH-OAHLLOKOSA-N 1 1 302.418 3.312 10 30 DGEEMO C=CC[C@@H]1CC[N@@H+](Cc2csc(N(C(C)=O)C3CC3)n2)C1 ZINC000625701816 401186776 /nfs/dbraw/zinc/18/67/76/401186776.db2.gz SWGAIFVKZDQQBV-CYBMUJFWSA-N 1 1 305.447 3.056 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2csc(N(C(C)=O)C3CC3)n2)C1 ZINC000625701816 401186781 /nfs/dbraw/zinc/18/67/81/401186781.db2.gz SWGAIFVKZDQQBV-CYBMUJFWSA-N 1 1 305.447 3.056 10 30 DGEEMO C=CCOCCN[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000625982870 401271917 /nfs/dbraw/zinc/27/19/17/401271917.db2.gz VZVZJZWEGQJOGI-HNNXBMFYSA-N 1 1 317.260 3.388 10 30 DGEEMO C=C1CC(C)(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000631294460 401446161 /nfs/dbraw/zinc/44/61/61/401446161.db2.gz LRPIFCZWVWWRFT-DLBZAZTESA-N 1 1 304.478 3.456 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000623466175 401524229 /nfs/dbraw/zinc/52/42/29/401524229.db2.gz UQLYUSINLWYAED-SJORKVTESA-N 1 1 307.482 3.249 10 30 DGEEMO C=CC(C)(C)CCNC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000623493308 401531613 /nfs/dbraw/zinc/53/16/13/401531613.db2.gz ARMPEJDJGKDVNU-UHFFFAOYSA-N 1 1 321.490 3.008 10 30 DGEEMO C=CC(C)(C)CCNC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000623493308 401531616 /nfs/dbraw/zinc/53/16/16/401531616.db2.gz ARMPEJDJGKDVNU-UHFFFAOYSA-N 1 1 321.490 3.008 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000623597073 401552818 /nfs/dbraw/zinc/55/28/18/401552818.db2.gz VUTQUODANHDPTL-SJORKVTESA-N 1 1 315.461 3.115 10 30 DGEEMO C=C1CC(C)(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000632335225 401601537 /nfs/dbraw/zinc/60/15/37/401601537.db2.gz YNTYRGGDODAWCT-SJLPKXTDSA-N 1 1 312.457 3.370 10 30 DGEEMO C=CC(C)(C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000624464827 401662592 /nfs/dbraw/zinc/66/25/92/401662592.db2.gz QZZDEXCLGQLOIL-NVXWUHKLSA-N 1 1 319.493 3.247 10 30 DGEEMO C[C@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000192145056 165282974 /nfs/dbraw/zinc/28/29/74/165282974.db2.gz OFQUDCBMSXLXRX-OAHLLOKOSA-N 1 1 312.388 3.470 10 30 DGEEMO Cc1ccc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1C#N ZINC000192956628 165312206 /nfs/dbraw/zinc/31/22/06/165312206.db2.gz NHJYBJVBIQGDTL-QGZVFWFLSA-N 1 1 306.413 3.196 10 30 DGEEMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246052940 165499609 /nfs/dbraw/zinc/49/96/09/165499609.db2.gz QGUDTUSZCBQXOJ-UIAACRFSSA-N 1 1 306.409 3.470 10 30 DGEEMO C=CCCC[N@@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190508355 432166533 /nfs/dbraw/zinc/16/65/33/432166533.db2.gz HTRAYEWTNVOUOY-MRXNPFEDSA-N 1 1 310.482 3.081 10 30 DGEEMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)C[C@@H](C)C2)c(C#N)c1C ZINC000246947284 432183478 /nfs/dbraw/zinc/18/34/78/432183478.db2.gz ZOSDOVHKKIOZEN-SCRDCRAPSA-N 1 1 317.433 3.463 10 30 DGEEMO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1cc(C#N)ccc1Br ZINC000191135412 432226002 /nfs/dbraw/zinc/22/60/02/432226002.db2.gz WYCGPFCRPFDNBP-QWRGUYRKSA-N 1 1 323.234 3.054 10 30 DGEEMO N#Cc1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000374600428 269962220 /nfs/dbraw/zinc/96/22/20/269962220.db2.gz BOKGTZRASSCKHP-LSTHTHJFSA-N 1 1 321.424 3.151 10 30 DGEEMO Cc1cc(C#N)nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000376458472 267318392 /nfs/dbraw/zinc/31/83/92/267318392.db2.gz BFOHOLOTBPWLQF-NVXWUHKLSA-N 1 1 321.428 3.122 10 30 DGEEMO N#Cc1ccnc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000367347935 268295343 /nfs/dbraw/zinc/29/53/43/268295343.db2.gz NLDGXOPWDGDAPE-MOPGFXCFSA-N 1 1 318.424 3.197 10 30 DGEEMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1n1ccnc1 ZINC000245717580 274300806 /nfs/dbraw/zinc/30/08/06/274300806.db2.gz UHENEZVIMGOORC-CRAIPNDOSA-N 1 1 313.832 3.471 10 30 DGEEMO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000174014071 274310730 /nfs/dbraw/zinc/31/07/30/274310730.db2.gz FDQURPPWXREAPV-ZIAGYGMSSA-N 1 1 317.458 3.361 10 30 DGEEMO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000174014071 274310733 /nfs/dbraw/zinc/31/07/33/274310733.db2.gz FDQURPPWXREAPV-ZIAGYGMSSA-N 1 1 317.458 3.361 10 30 DGEEMO CC(C)c1nnc2n1CC[N@@H+](CCCCC(C)(C)C#N)[C@@H]2C ZINC000365193493 276077097 /nfs/dbraw/zinc/07/70/97/276077097.db2.gz HULHPMYHFVHHBI-CQSZACIVSA-N 1 1 303.454 3.498 10 30 DGEEMO CC(C)c1nnc2n1CC[N@H+](CCCCC(C)(C)C#N)[C@@H]2C ZINC000365193493 276077099 /nfs/dbraw/zinc/07/70/99/276077099.db2.gz HULHPMYHFVHHBI-CQSZACIVSA-N 1 1 303.454 3.498 10 30 DGEEMO C[N@H+]1CCC[C@@H]2CN(CC#Cc3ccc(Cl)cc3)CC[C@H]21 ZINC000247946698 277068211 /nfs/dbraw/zinc/06/82/11/277068211.db2.gz DOZCOVNERIDOFM-SJLPKXTDSA-N 1 1 302.849 3.108 10 30 DGEEMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000091978929 279181053 /nfs/dbraw/zinc/18/10/53/279181053.db2.gz STYPWLLSOCBLHC-JLSDUUJJSA-N 1 1 300.402 3.121 10 30 DGEEMO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000007738108 431362609 /nfs/dbraw/zinc/36/26/09/431362609.db2.gz AKGKOJXDNANDPI-HYVNUMGLSA-N 1 1 311.429 3.397 10 30 DGEEMO C=C(C)C[N@H+](CCC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000114197950 431374161 /nfs/dbraw/zinc/37/41/61/431374161.db2.gz FKYKUGQEGVYNRW-UHFFFAOYSA-N 1 1 302.466 3.350 10 30 DGEEMO N#Cc1ccc(N2CCC[N@H+](C3CC3)CC2)c(C(F)(F)F)c1 ZINC000077939213 431629757 /nfs/dbraw/zinc/62/97/57/431629757.db2.gz SVVXUXSVUTWNQY-UHFFFAOYSA-N 1 1 309.335 3.252 10 30 DGEEMO C#CCOc1ccccc1C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000123061876 431853490 /nfs/dbraw/zinc/85/34/90/431853490.db2.gz GXQOZUTVXDERRF-SFHVURJKSA-N 1 1 309.413 3.041 10 30 DGEEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cccc(OCCCC#N)c1 ZINC000123393543 431863846 /nfs/dbraw/zinc/86/38/46/431863846.db2.gz ZMLWWKFDJHVPIG-SFHVURJKSA-N 1 1 315.461 3.285 10 30 DGEEMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2ccc(C#N)cc2C)c1 ZINC000123708169 431872483 /nfs/dbraw/zinc/87/24/83/431872483.db2.gz ZNJPIHFDZMRTEG-UHFFFAOYSA-N 1 1 317.352 3.008 10 30 DGEEMO C=C[C@](C)(O)C[N@@H+](Cc1cccc(OC)c1OC)CC(C)C ZINC000036115467 431837644 /nfs/dbraw/zinc/83/76/44/431837644.db2.gz ITQPONXASNNYAY-SFHVURJKSA-N 1 1 307.434 3.099 10 30 DGEEMO CCc1ccc([C@H]2CCCC[N@H+]2CC(=O)N(CC)CCC#N)o1 ZINC000124838671 431905745 /nfs/dbraw/zinc/90/57/45/431905745.db2.gz QFYROJKAZFOPBE-MRXNPFEDSA-N 1 1 317.433 3.131 10 30 DGEEMO CCc1ccc([C@H]2CCCC[N@@H+]2CC(=O)N(CC)CCC#N)o1 ZINC000124838671 431905748 /nfs/dbraw/zinc/90/57/48/431905748.db2.gz QFYROJKAZFOPBE-MRXNPFEDSA-N 1 1 317.433 3.131 10 30 DGEEMO Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)[nH+]1 ZINC000128281767 431991400 /nfs/dbraw/zinc/99/14/00/431991400.db2.gz VOBFFNWOBXHCCA-AWEZNQCLSA-N 1 1 312.442 3.257 10 30 DGEEMO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)n1 ZINC000128281767 431991402 /nfs/dbraw/zinc/99/14/02/431991402.db2.gz VOBFFNWOBXHCCA-AWEZNQCLSA-N 1 1 312.442 3.257 10 30 DGEEMO Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC000128281767 431991403 /nfs/dbraw/zinc/99/14/03/431991403.db2.gz VOBFFNWOBXHCCA-AWEZNQCLSA-N 1 1 312.442 3.257 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000128353344 431991985 /nfs/dbraw/zinc/99/19/85/431991985.db2.gz BKYTWFNTZPIRDG-AEFFLSMTSA-N 1 1 315.461 3.115 10 30 DGEEMO O[C@@]12CCCC[C@H]1C[N@@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000248185590 432273406 /nfs/dbraw/zinc/27/34/06/432273406.db2.gz XGIGOGZCNRTDIX-FUHWJXTLSA-N 1 1 303.833 3.319 10 30 DGEEMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC000191964311 432318444 /nfs/dbraw/zinc/31/84/44/432318444.db2.gz KAEJUOXVNQHKIX-HKUYNNGSSA-N 1 1 312.457 3.055 10 30 DGEEMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC000191964326 432319027 /nfs/dbraw/zinc/31/90/27/432319027.db2.gz KAEJUOXVNQHKIX-MJGOQNOKSA-N 1 1 312.457 3.055 10 30 DGEEMO CCN(C[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)CC(F)(F)F ZINC000192055379 432329482 /nfs/dbraw/zinc/32/94/82/432329482.db2.gz NRDVCLKMXIWRAO-QGZVFWFLSA-N 1 1 324.390 3.244 10 30 DGEEMO OCCC[N@@H+](CC#Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000192059065 432329556 /nfs/dbraw/zinc/32/95/56/432329556.db2.gz MHFPWCHXPRSPSX-OAQYLSRUSA-N 1 1 305.421 3.410 10 30 DGEEMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000248969303 432331113 /nfs/dbraw/zinc/33/11/13/432331113.db2.gz SIEVJKZASFFMHE-WBVHZDCISA-N 1 1 306.413 3.448 10 30 DGEEMO C=CC[N@@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1cccs1 ZINC000184972591 432450195 /nfs/dbraw/zinc/45/01/95/432450195.db2.gz RMEILNNDCPWUAI-UHFFFAOYSA-N 1 1 314.414 3.325 10 30 DGEEMO C=CC[N@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1cccs1 ZINC000184972591 432450198 /nfs/dbraw/zinc/45/01/98/432450198.db2.gz RMEILNNDCPWUAI-UHFFFAOYSA-N 1 1 314.414 3.325 10 30 DGEEMO C=CCOc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000175591362 432450883 /nfs/dbraw/zinc/45/08/83/432450883.db2.gz ZNLIBEYENNAQIW-HOCLYGCPSA-N 1 1 317.433 3.198 10 30 DGEEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000176267620 432505277 /nfs/dbraw/zinc/50/52/77/432505277.db2.gz FIUKJFHNMTYJDK-CQSZACIVSA-N 1 1 320.824 3.160 10 30 DGEEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000193282936 432462614 /nfs/dbraw/zinc/46/26/14/432462614.db2.gz OZEMLVNTYMBNFP-NEPJUHHUSA-N 1 1 315.373 3.347 10 30 DGEEMO C#CCC(C)(C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000185985706 432551508 /nfs/dbraw/zinc/55/15/08/432551508.db2.gz BGALENSHWKLFCC-CQSZACIVSA-N 1 1 309.413 3.407 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000185838092 432538508 /nfs/dbraw/zinc/53/85/08/432538508.db2.gz ANBCEPVDQXVDGK-BQFCYCMXSA-N 1 1 300.446 3.368 10 30 DGEEMO C=CCOc1ccc(C[NH+]2CCN(c3ccccc3O)CC2)cc1 ZINC000158518814 432648295 /nfs/dbraw/zinc/64/82/95/432648295.db2.gz VCBLRPHLEOSPBX-UHFFFAOYSA-N 1 1 324.424 3.279 10 30 DGEEMO C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000188073331 432701808 /nfs/dbraw/zinc/70/18/08/432701808.db2.gz XNJPAAAFUFBGBP-QGZVFWFLSA-N 1 1 316.445 3.198 10 30 DGEEMO C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000188073331 432701812 /nfs/dbraw/zinc/70/18/12/432701812.db2.gz XNJPAAAFUFBGBP-QGZVFWFLSA-N 1 1 316.445 3.198 10 30 DGEEMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000245952585 432872480 /nfs/dbraw/zinc/87/24/80/432872480.db2.gz BIKXSIFBVNKFMF-CDHQVMDDSA-N 1 1 322.408 3.054 10 30 DGEEMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000245952585 432872482 /nfs/dbraw/zinc/87/24/82/432872482.db2.gz BIKXSIFBVNKFMF-CDHQVMDDSA-N 1 1 322.408 3.054 10 30 DGEEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C#N)ccc2C)[C@@H](C)C1 ZINC000246008704 432874449 /nfs/dbraw/zinc/87/44/49/432874449.db2.gz KQPMVMMILRRJAC-WMLDXEAASA-N 1 1 314.433 3.061 10 30 DGEEMO CC(C)c1nc(C2(NC(=O)[C@H]3CCC[N@@H+]3C)CCCC2)no1 ZINC000330074685 432891985 /nfs/dbraw/zinc/89/19/85/432891985.db2.gz FSUUSVXKLGAYOI-GFCCVEGCSA-N 1 1 306.410 3.013 10 30 DGEEMO CC(C)c1nc(C2(NC(=O)[C@H]3CCC[N@H+]3C)CCCC2)no1 ZINC000330074685 432891988 /nfs/dbraw/zinc/89/19/88/432891988.db2.gz FSUUSVXKLGAYOI-GFCCVEGCSA-N 1 1 306.410 3.013 10 30 DGEEMO C=CCC[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453336260 433099794 /nfs/dbraw/zinc/09/97/94/433099794.db2.gz AZFCGMSFJGRCAT-YSTOQKLRSA-N 1 1 314.473 3.099 10 30 DGEEMO C=CCCCCC[N@H+]1CCc2c(sc3ncnc(N)c23)C1 ZINC000373231589 433139858 /nfs/dbraw/zinc/13/98/58/433139858.db2.gz PIMXGTATJPZQLG-UHFFFAOYSA-N 1 1 302.447 3.378 10 30 DGEEMO C=CCCCCC[N@@H+]1CCc2c(sc3ncnc(N)c23)C1 ZINC000373231589 433139865 /nfs/dbraw/zinc/13/98/65/433139865.db2.gz PIMXGTATJPZQLG-UHFFFAOYSA-N 1 1 302.447 3.378 10 30 DGEEMO C#CCOc1ccc([C@H](C)[NH2+]C2CC(N3CCCCC3)C2)cc1 ZINC000373523299 433153729 /nfs/dbraw/zinc/15/37/29/433153729.db2.gz OYTNOKSXBWPEEH-IVMQYODDSA-N 1 1 312.457 3.366 10 30 DGEEMO C=CCC[N@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000374826571 433288637 /nfs/dbraw/zinc/28/86/37/433288637.db2.gz ZCKOUQNQTHNNRV-HNNXBMFYSA-N 1 1 316.449 3.294 10 30 DGEEMO C=CCCCNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000447990466 433341165 /nfs/dbraw/zinc/34/11/65/433341165.db2.gz RUJGXQFEAJCSTC-DOTOQJQBSA-N 1 1 301.434 3.087 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1OC ZINC000375301793 433417266 /nfs/dbraw/zinc/41/72/66/433417266.db2.gz HZTDRHDOMWOJTD-IBGZPJMESA-N 1 1 317.429 3.263 10 30 DGEEMO N#Cc1ccc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)nc1 ZINC000301102907 433417587 /nfs/dbraw/zinc/41/75/87/433417587.db2.gz OUDUGUMDFZFYEZ-GOSISDBHSA-N 1 1 306.413 3.420 10 30 DGEEMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cnc(C#N)cn1 ZINC000375696128 433529328 /nfs/dbraw/zinc/52/93/28/433529328.db2.gz GSDFWODALJDWMX-QGZVFWFLSA-N 1 1 321.428 3.061 10 30 DGEEMO N#Cc1cccc(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000301296028 433493113 /nfs/dbraw/zinc/49/31/13/433493113.db2.gz XSMLIQKMMCCIPD-SFHVURJKSA-N 1 1 306.413 3.420 10 30 DGEEMO N#Cc1ccc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000301535840 433599658 /nfs/dbraw/zinc/59/96/58/433599658.db2.gz TYZLEFWBKGIGLU-LJQANCHMSA-N 1 1 306.413 3.420 10 30 DGEEMO N#Cc1cnccc1N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000376197253 433690581 /nfs/dbraw/zinc/69/05/81/433690581.db2.gz JSTUQQKWHDBXPA-FQEVSTJZSA-N 1 1 318.424 3.056 10 30 DGEEMO COc1ccc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)cc1C#N ZINC000374182784 293363609 /nfs/dbraw/zinc/36/36/09/293363609.db2.gz KOFRRBRWFMOCAJ-KRWDZBQOSA-N 1 1 310.401 3.028 10 30 DGEEMO COc1ccc(C[N@H+]2CCCC[C@H]2c2ccnn2C)cc1C#N ZINC000374182784 293363612 /nfs/dbraw/zinc/36/36/12/293363612.db2.gz KOFRRBRWFMOCAJ-KRWDZBQOSA-N 1 1 310.401 3.028 10 30 DGEEMO C=CC[C@H](CO)Nc1cc[nH+]c2ccc(Br)cc12 ZINC000302139615 433812334 /nfs/dbraw/zinc/81/23/34/433812334.db2.gz OHPNDVAUCZVJFA-LLVKDONJSA-N 1 1 307.191 3.346 10 30 DGEEMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000450286936 434079402 /nfs/dbraw/zinc/07/94/02/434079402.db2.gz MVZRGPFJVNMRFI-CABCVRRESA-N 1 1 306.837 3.414 10 30 DGEEMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000450286936 434079407 /nfs/dbraw/zinc/07/94/07/434079407.db2.gz MVZRGPFJVNMRFI-CABCVRRESA-N 1 1 306.837 3.414 10 30 DGEEMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000450286938 434082062 /nfs/dbraw/zinc/08/20/62/434082062.db2.gz MVZRGPFJVNMRFI-GJZGRUSLSA-N 1 1 306.837 3.414 10 30 DGEEMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000450286938 434082068 /nfs/dbraw/zinc/08/20/68/434082068.db2.gz MVZRGPFJVNMRFI-GJZGRUSLSA-N 1 1 306.837 3.414 10 30 DGEEMO C=CC[N@H+](CCc1cscn1)Cc1cccc([N+](=O)[O-])c1 ZINC000450296730 434087971 /nfs/dbraw/zinc/08/79/71/434087971.db2.gz FVGHYHOIFGSPTD-UHFFFAOYSA-N 1 1 303.387 3.282 10 30 DGEEMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCC(=O)CC1 ZINC000450302895 434094118 /nfs/dbraw/zinc/09/41/18/434094118.db2.gz YURBWBUMHYUFTB-UHFFFAOYSA-N 1 1 302.374 3.342 10 30 DGEEMO C[C@H]1CCC[N@H+]1CC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328614133 434287944 /nfs/dbraw/zinc/28/79/44/434287944.db2.gz VLWAZIDSHKUWRZ-YXJHDRRASA-N 1 1 302.418 3.205 10 30 DGEEMO CC(=O)Nc1ccn([C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)n1 ZINC000328631826 434293085 /nfs/dbraw/zinc/29/30/85/434293085.db2.gz RJVPKBNCUIOYCE-ZDUSSCGKSA-N 1 1 320.343 3.216 10 30 DGEEMO CC(=O)Nc1ccn([C@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)n1 ZINC000328631826 434293091 /nfs/dbraw/zinc/29/30/91/434293091.db2.gz RJVPKBNCUIOYCE-ZDUSSCGKSA-N 1 1 320.343 3.216 10 30 DGEEMO CC(=O)Nc1ccn([C@H]2CC[N@@H+](Cc3cc(C)oc3C)C2)n1 ZINC000328629536 434294054 /nfs/dbraw/zinc/29/40/54/434294054.db2.gz OXPDBTJAQNYYGQ-HNNXBMFYSA-N 1 1 302.378 3.148 10 30 DGEEMO C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328708415 434301392 /nfs/dbraw/zinc/30/13/92/434301392.db2.gz QIYXKMDFIQHEED-CZUORRHYSA-N 1 1 316.380 3.336 10 30 DGEEMO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328708415 434301400 /nfs/dbraw/zinc/30/14/00/434301400.db2.gz QIYXKMDFIQHEED-CZUORRHYSA-N 1 1 316.380 3.336 10 30 DGEEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CCCCNC1=O ZINC000329248259 434379556 /nfs/dbraw/zinc/37/95/56/434379556.db2.gz AHJVAEKRZMCBSH-LSDHHAIUSA-N 1 1 309.454 3.210 10 30 DGEEMO C=CC[N@H+](CCc1ccco1)Cc1ccc(C(=O)OCC)cn1 ZINC000450701717 434354754 /nfs/dbraw/zinc/35/47/54/434354754.db2.gz XOHDWQGMHKNDBH-UHFFFAOYSA-N 1 1 314.385 3.082 10 30 DGEEMO C=C(C)Cn1c([C@H](C)CC)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000358949501 434410117 /nfs/dbraw/zinc/41/01/17/434410117.db2.gz HGLAVISDFJGZOZ-ZBFHGGJFSA-N 1 1 317.481 3.041 10 30 DGEEMO C[C@@H]1CCOCC[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000367645582 434552669 /nfs/dbraw/zinc/55/26/69/434552669.db2.gz MSXOOKLQCPYCSD-CYBMUJFWSA-N 1 1 313.319 3.048 10 30 DGEEMO C[C@@H]1CCOCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000367645582 434552674 /nfs/dbraw/zinc/55/26/74/434552674.db2.gz MSXOOKLQCPYCSD-CYBMUJFWSA-N 1 1 313.319 3.048 10 30 DGEEMO C=CCC1(C(=O)NCCC[N@H+](C)C2CCCCC2)CCOCC1 ZINC000424569725 434745003 /nfs/dbraw/zinc/74/50/03/434745003.db2.gz RRMQMFGKORAVEZ-UHFFFAOYSA-N 1 1 322.493 3.130 10 30 DGEEMO C=CCCCCCN(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000372640259 434845140 /nfs/dbraw/zinc/84/51/40/434845140.db2.gz MWDOEOKBZQBYCZ-ALOPSCKCSA-N 1 1 307.482 3.390 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463440929 434961037 /nfs/dbraw/zinc/96/10/37/434961037.db2.gz HFSKROMBNCJTML-KGLIPLIRSA-N 1 1 320.399 3.464 10 30 DGEEMO C=CCC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000463777711 434968909 /nfs/dbraw/zinc/96/89/09/434968909.db2.gz VIPLTQLLCORADJ-RBUKOAKNSA-N 1 1 312.457 3.432 10 30 DGEEMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](c3cccc(F)c3)C2(C)C)C1=O ZINC000528773083 435029174 /nfs/dbraw/zinc/02/91/74/435029174.db2.gz GTGBLLFWTUCCIU-DLBZAZTESA-N 1 1 316.420 3.181 10 30 DGEEMO C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466321867 435072393 /nfs/dbraw/zinc/07/23/93/435072393.db2.gz AQDMEOZDZYXFDF-ZWKOTPCHSA-N 1 1 315.461 3.257 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)cc1 ZINC000467387153 435119478 /nfs/dbraw/zinc/11/94/78/435119478.db2.gz FGAMQMHXBIEJLK-CGTJXYLNSA-N 1 1 315.413 3.025 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)cc1 ZINC000467387153 435119482 /nfs/dbraw/zinc/11/94/82/435119482.db2.gz FGAMQMHXBIEJLK-CGTJXYLNSA-N 1 1 315.413 3.025 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)cc1 ZINC000467387156 435120495 /nfs/dbraw/zinc/12/04/95/435120495.db2.gz FGAMQMHXBIEJLK-SZMVWBNQSA-N 1 1 315.413 3.025 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)cc1 ZINC000467387156 435120499 /nfs/dbraw/zinc/12/04/99/435120499.db2.gz FGAMQMHXBIEJLK-SZMVWBNQSA-N 1 1 315.413 3.025 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)Nc1ccnn1CC1CCCCC1 ZINC000533300601 435223215 /nfs/dbraw/zinc/22/32/15/435223215.db2.gz GKVNHYIBLWPYMC-UHFFFAOYSA-N 1 1 318.465 3.300 10 30 DGEEMO C=CCNC(=O)N(CCC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000513897021 435404587 /nfs/dbraw/zinc/40/45/87/435404587.db2.gz JFDILVMZABQXIK-GOSISDBHSA-N 1 1 315.461 3.259 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000537693335 435462372 /nfs/dbraw/zinc/46/23/72/435462372.db2.gz URAVPXLPHXPERO-ROUUACIJSA-N 1 1 301.430 3.500 10 30 DGEEMO C=CCCC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000537186138 435428083 /nfs/dbraw/zinc/42/80/83/435428083.db2.gz IZFHEIHEYQHDHY-JQHSSLGASA-N 1 1 315.461 3.476 10 30 DGEEMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000488595534 435639959 /nfs/dbraw/zinc/63/99/59/435639959.db2.gz SRCJSPFHBHCKCP-AWEZNQCLSA-N 1 1 304.459 3.412 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000519690933 435699159 /nfs/dbraw/zinc/69/91/59/435699159.db2.gz CGRCDQOSRKYBPL-IBGZPJMESA-N 1 1 314.473 3.415 10 30 DGEEMO COc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1OC(F)F ZINC000174258377 312761763 /nfs/dbraw/zinc/76/17/63/312761763.db2.gz INPVVIZCONCPJA-UHFFFAOYSA-N 1 1 308.284 3.051 10 30 DGEEMO C=C(C)C[N@@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000181273508 332189362 /nfs/dbraw/zinc/18/93/62/332189362.db2.gz JWRHYVOUVDCXHC-LLVKDONJSA-N 1 1 304.217 3.241 10 30 DGEEMO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cnn(CC)n2)cc1 ZINC000527921583 337775112 /nfs/dbraw/zinc/77/51/12/337775112.db2.gz ODZXYCNOQBWEKF-ZDUSSCGKSA-N 1 1 320.824 3.280 10 30 DGEEMO C=CCCC[N@H+](C)CCCN1CCN(c2ccccc2)CC1 ZINC000509658249 340275958 /nfs/dbraw/zinc/27/59/58/340275958.db2.gz NEMSRSKHNYVQOI-UHFFFAOYSA-N 1 1 301.478 3.097 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000544192047 341074029 /nfs/dbraw/zinc/07/40/29/341074029.db2.gz WPYZPEXAVNUVAX-GOSISDBHSA-N 1 1 300.446 3.209 10 30 DGEEMO C=CCC1(CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)CCCC1 ZINC000459055321 534597579 /nfs/dbraw/zinc/59/75/79/534597579.db2.gz UYQLXNFDQZFTEX-IAGOWNOFSA-N 1 1 321.509 3.495 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444700642 526542493 /nfs/dbraw/zinc/54/24/93/526542493.db2.gz ODUPIYIGQSYFOD-STQMWFEESA-N 1 1 306.372 3.074 10 30 DGEEMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H](O)C1CCCCC1 ZINC000352816589 526558780 /nfs/dbraw/zinc/55/87/80/526558780.db2.gz PLTPCEADMQPCKW-GOSISDBHSA-N 1 1 307.434 3.091 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000353515308 526867639 /nfs/dbraw/zinc/86/76/39/526867639.db2.gz DQMAIBVBARHQRE-HUUCEWRRSA-N 1 1 315.335 3.139 10 30 DGEEMO C=C(CNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000352996586 526870729 /nfs/dbraw/zinc/87/07/29/526870729.db2.gz HZDPQPZLFKRMMD-CALCHBBNSA-N 1 1 315.461 3.262 10 30 DGEEMO C=CCCC[N@H+](C)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000341888322 527191754 /nfs/dbraw/zinc/19/17/54/527191754.db2.gz IUZZOTPJXYIJRT-LJQANCHMSA-N 1 1 302.462 3.176 10 30 DGEEMO C=CCCC[N@H+](C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000346957146 527192549 /nfs/dbraw/zinc/19/25/49/527192549.db2.gz FRWJGNINLZYBFA-GOSISDBHSA-N 1 1 300.446 3.468 10 30 DGEEMO C=CCC[N@H+](C)Cc1cc(Br)ccc1C(=O)OC ZINC000338340615 527320902 /nfs/dbraw/zinc/32/09/02/527320902.db2.gz CWQCHRVOJMNDRE-UHFFFAOYSA-N 1 1 312.207 3.244 10 30 DGEEMO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000347305533 527455044 /nfs/dbraw/zinc/45/50/44/527455044.db2.gz LUAYGKCBXYCSOQ-CABCVRRESA-N 1 1 305.422 3.191 10 30 DGEEMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000347305533 527455051 /nfs/dbraw/zinc/45/50/51/527455051.db2.gz LUAYGKCBXYCSOQ-CABCVRRESA-N 1 1 305.422 3.191 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1cc(C)ccc1C ZINC000429305865 527624953 /nfs/dbraw/zinc/62/49/53/527624953.db2.gz GZMPBPMDCSTRBG-QGZVFWFLSA-N 1 1 300.446 3.324 10 30 DGEEMO CCOC[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177366674 529030224 /nfs/dbraw/zinc/03/02/24/529030224.db2.gz RITPJUJNXLSTEA-HNNXBMFYSA-N 1 1 311.347 3.415 10 30 DGEEMO C=CC[N@@H+](CC[C@@H](CC)CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000437692468 546826262 /nfs/dbraw/zinc/82/62/62/546826262.db2.gz OPCMNXCFYSQDLF-JKSUJKDBSA-N 1 1 301.496 3.268 10 30 DGEEMO C=CC[N@H+](CC[C@@H](CC)CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000437692468 546826266 /nfs/dbraw/zinc/82/62/66/546826266.db2.gz OPCMNXCFYSQDLF-JKSUJKDBSA-N 1 1 301.496 3.268 10 30 DGEEMO C#CCOc1ccc(CNCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000733327653 574616428 /nfs/dbraw/zinc/61/64/28/574616428.db2.gz ALSQZFDVJRDTDO-IRXDYDNUSA-N 1 1 300.446 3.051 10 30 DGEEMO C[N@@H+](CCCOC(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000129556426 625678670 /nfs/dbraw/zinc/67/86/70/625678670.db2.gz XHXZETBYYQOQJC-UHFFFAOYSA-N 1 1 308.381 3.237 10 30 DGEEMO Cc1cc(C#N)ccc1C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000129786298 625773628 /nfs/dbraw/zinc/77/36/28/625773628.db2.gz GZKOJSNDHHEELO-GOSISDBHSA-N 1 1 320.392 3.298 10 30 DGEEMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](C)CC1CCCC1 ZINC000131095831 625943768 /nfs/dbraw/zinc/94/37/68/625943768.db2.gz OWZRXIZCKIFYJT-UHFFFAOYSA-N 1 1 309.417 3.205 10 30 DGEEMO N#CCOc1ccc(C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)cc1 ZINC000175992662 655690052 /nfs/dbraw/zinc/69/00/52/655690052.db2.gz VFYPBMHWWWFGJE-UHFFFAOYSA-N 1 1 318.380 3.269 10 30 DGEEMO [NH2+]=C(NOC(=O)C=Cc1ccccc1Cl)c1ccccc1 ZINC000097024584 655713222 /nfs/dbraw/zinc/71/32/22/655713222.db2.gz GPVPSIQMJOUQTH-KHPPLWFESA-N 1 1 300.745 3.217 10 30 DGEEMO [NH2+]=C(NC[C@H](c1ccccc1)N1CCCC1)NC1CCCCC1 ZINC000303787116 657564153 /nfs/dbraw/zinc/56/41/53/657564153.db2.gz SCMMBYWSDKZUJR-GOSISDBHSA-N 1 1 314.477 3.061 10 30 DGEEMO C[C@H]1CCCCN1CCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304641807 657640863 /nfs/dbraw/zinc/64/08/63/657640863.db2.gz CRIHSNBQKFZZLR-HNNXBMFYSA-N 1 1 314.477 3.166 10 30 DGEEMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1cncc(C#N)c1 ZINC000721597376 658740409 /nfs/dbraw/zinc/74/04/09/658740409.db2.gz KFJKGDNYECLZQN-KRWDZBQOSA-N 1 1 320.440 3.050 10 30 DGEEMO C[C@H]1CCCC[N@@H+]1CCNCc1cccc(OCCCC#N)c1 ZINC000237513371 658775012 /nfs/dbraw/zinc/77/50/12/658775012.db2.gz ZTZAMFSVUPUSMO-KRWDZBQOSA-N 1 1 315.461 3.333 10 30 DGEEMO C[C@H]1CCCC[N@H+]1CCNCc1cccc(OCCCC#N)c1 ZINC000237513371 658775014 /nfs/dbraw/zinc/77/50/14/658775014.db2.gz ZTZAMFSVUPUSMO-KRWDZBQOSA-N 1 1 315.461 3.333 10 30 DGEEMO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000239274589 659992238 /nfs/dbraw/zinc/99/22/38/659992238.db2.gz AKGKOJXDNANDPI-PVAVHDDUSA-N 1 1 311.429 3.397 10 30 DGEEMO C#CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(F)cc1)C1CCCC1 ZINC000155870424 661854072 /nfs/dbraw/zinc/85/40/72/661854072.db2.gz LPCVEVWTGUYBMK-OAHLLOKOSA-N 1 1 316.420 3.223 10 30 DGEEMO C#CC[N@H+](CC(=O)N(C)Cc1ccc(Cl)s1)C1CCCC1 ZINC000155891219 661854473 /nfs/dbraw/zinc/85/44/73/661854473.db2.gz VWUQTOUWPJDIOA-UHFFFAOYSA-N 1 1 324.877 3.238 10 30 DGEEMO C#CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C)C1CCCC1 ZINC000155927858 661855167 /nfs/dbraw/zinc/85/51/67/661855167.db2.gz FXKKTSRCWXVBMW-UHFFFAOYSA-N 1 1 304.459 3.490 10 30 DGEEMO C#CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C)C1CCCC1 ZINC000155927858 661855170 /nfs/dbraw/zinc/85/51/70/661855170.db2.gz FXKKTSRCWXVBMW-UHFFFAOYSA-N 1 1 304.459 3.490 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000076736542 661995379 /nfs/dbraw/zinc/99/53/79/661995379.db2.gz DEQYUSMHOJPEJK-UHFFFAOYSA-N 1 1 313.445 3.448 10 30 DGEEMO C#CCCOc1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000245764987 662240676 /nfs/dbraw/zinc/24/06/76/662240676.db2.gz QLTKIIQPUJTDLT-AZUAARDMSA-N 1 1 313.441 3.216 10 30 DGEEMO C[C@@H]1[C@@H](NCC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000309801865 1199709717 /nfs/dbraw/zinc/70/97/17/1199709717.db2.gz KBWLXNNYKFWXRW-NQIIRXRSSA-N 1 1 304.437 3.291 10 30 DGEEMO C[C@@H]1[C@@H](NCC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000309801865 1199709723 /nfs/dbraw/zinc/70/97/23/1199709723.db2.gz KBWLXNNYKFWXRW-NQIIRXRSSA-N 1 1 304.437 3.291 10 30 DGEEMO N#Cc1ccc(Br)cc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000123363050 1200276879 /nfs/dbraw/zinc/27/68/79/1200276879.db2.gz DUNBDBICLQWBST-UONOGXRCSA-N 1 1 320.234 3.359 10 30 DGEEMO C#Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000174786625 1203910448 /nfs/dbraw/zinc/91/04/48/1203910448.db2.gz QSWGFEJROHMWTM-SFHVURJKSA-N 1 1 311.429 3.054 10 30 DGEEMO C#CC[N@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000176383994 1087717202 /nfs/dbraw/zinc/71/72/02/1087717202.db2.gz WVVTTZRBEBOKIT-HNNXBMFYSA-N 1 1 306.450 3.121 10 30 DGEEMO C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000328009267 1098016852 /nfs/dbraw/zinc/01/68/52/1098016852.db2.gz POYPWTXALFOKSX-UHFFFAOYSA-N 1 1 314.216 3.070 10 30 DGEEMO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000066851614 432022664 /nfs/dbraw/zinc/02/26/64/432022664.db2.gz VCIBSYBJBKQQIB-OXJNMPFZSA-N 1 1 322.408 3.399 10 30 DGEEMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000066851614 432022667 /nfs/dbraw/zinc/02/26/67/432022667.db2.gz VCIBSYBJBKQQIB-OXJNMPFZSA-N 1 1 322.408 3.399 10 30 DGEEMO N#Cc1ccccc1Cn1cccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000187364258 283215165 /nfs/dbraw/zinc/21/51/65/283215165.db2.gz YIYCLRUQWBBRND-FQEVSTJZSA-N 1 1 321.424 3.019 10 30 DGEEMO N#Cc1ccccc1Cn1cccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000187364258 283215171 /nfs/dbraw/zinc/21/51/71/283215171.db2.gz YIYCLRUQWBBRND-FQEVSTJZSA-N 1 1 321.424 3.019 10 30 DGEEMO N#Cc1ccc(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)o1 ZINC000180804526 199211368 /nfs/dbraw/zinc/21/13/68/199211368.db2.gz JUIOZGJIIXEVLS-NSHDSACASA-N 1 1 324.306 3.204 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)o1 ZINC000180804526 199211370 /nfs/dbraw/zinc/21/13/70/199211370.db2.gz JUIOZGJIIXEVLS-NSHDSACASA-N 1 1 324.306 3.204 10 30 DGEEMO Cn1c2ccc(C[N@@H+](C)Cc3ccc(C#N)cc3)cc2sc1=O ZINC000194985926 201321429 /nfs/dbraw/zinc/32/14/29/201321429.db2.gz YRNMZSHDOFTFNF-UHFFFAOYSA-N 1 1 323.421 3.104 10 30 DGEEMO C=C(C)CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000455309605 242165001 /nfs/dbraw/zinc/16/50/01/242165001.db2.gz LIIGSURRBHXMJD-HOCLYGCPSA-N 1 1 321.490 3.396 10 30 DGEEMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000093868673 193321083 /nfs/dbraw/zinc/32/10/83/193321083.db2.gz SIFIHDYLNQSMIM-GDBMZVCRSA-N 1 1 314.458 3.312 10 30 DGEEMO N#Cc1ccc(OCC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000127977320 284359441 /nfs/dbraw/zinc/35/94/41/284359441.db2.gz KFSQTNXWEZNWAW-SFHVURJKSA-N 1 1 318.380 3.039 10 30 DGEEMO CCn1cc(C2CC[NH+](Cc3cc(F)ccc3C#N)CC2)cn1 ZINC000159195403 197334339 /nfs/dbraw/zinc/33/43/39/197334339.db2.gz PYMLNGUTDVONBZ-UHFFFAOYSA-N 1 1 312.392 3.293 10 30 DGEEMO Cc1cc(C#N)cc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000342847046 254064425 /nfs/dbraw/zinc/06/44/25/254064425.db2.gz GOPWYIAZNCTMBL-RDTXWAMCSA-N 1 1 306.413 3.194 10 30 DGEEMO Cc1cnn([C@@H]2CCC[N@@H+](CCCOc3cccc(C#N)c3)C2)c1 ZINC000156232104 197097556 /nfs/dbraw/zinc/09/75/56/197097556.db2.gz DBWDGFNZHJVOLR-GOSISDBHSA-N 1 1 324.428 3.169 10 30 DGEEMO C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000585754714 400138417 /nfs/dbraw/zinc/13/84/17/400138417.db2.gz WVRINGSMJIMJRR-GOSISDBHSA-N 1 1 324.424 3.165 10 30 DGEEMO C[C@@H](C(=O)Nc1ccc(CC#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000025417877 400237191 /nfs/dbraw/zinc/23/71/91/400237191.db2.gz ANCMRLFOCAXYLH-HNNXBMFYSA-N 1 1 307.397 3.212 10 30 DGEEMO C=CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617009015 400271397 /nfs/dbraw/zinc/27/13/97/400271397.db2.gz QGJZKXIHXGDLKK-IRXDYDNUSA-N 1 1 300.446 3.335 10 30 DGEEMO C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000617043993 400291994 /nfs/dbraw/zinc/29/19/94/400291994.db2.gz HMCMVMYIJAWFLD-YOEHRIQHSA-N 1 1 310.401 3.132 10 30 DGEEMO COc1ccccc1CC[N@@H+](C)CCOc1ccccc1C#N ZINC000104711297 400315139 /nfs/dbraw/zinc/31/51/39/400315139.db2.gz OJPCZRMXITUVOD-UHFFFAOYSA-N 1 1 310.397 3.120 10 30 DGEEMO C[C@H]1Cc2ccccc2N1C1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000610968378 400330303 /nfs/dbraw/zinc/33/03/03/400330303.db2.gz FUMOCPDSCJDMJF-DLBZAZTESA-N 1 1 322.456 3.346 10 30 DGEEMO C#C[C@H]([NH2+]C)c1cc(Br)ccc1Br ZINC000130329041 400536658 /nfs/dbraw/zinc/53/66/58/400536658.db2.gz NVUOHBOAUQFSQZ-JTQLQIEISA-N 1 1 302.997 3.105 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@H+](Cc1ccccc1F)CC1CC1 ZINC000618609721 400642098 /nfs/dbraw/zinc/64/20/98/400642098.db2.gz VSKOUKVOMLIHAY-UHFFFAOYSA-N 1 1 316.420 3.238 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@@H+](Cc1ccccc1F)CC1CC1 ZINC000618609721 400642103 /nfs/dbraw/zinc/64/21/03/400642103.db2.gz VSKOUKVOMLIHAY-UHFFFAOYSA-N 1 1 316.420 3.238 10 30 DGEEMO C=CC[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000624788554 400952145 /nfs/dbraw/zinc/95/21/45/400952145.db2.gz VSEJKLZFNMTTME-NVXWUHKLSA-N 1 1 305.466 3.001 10 30 DGEEMO Cc1ccc(NC(=S)N[NH+]=Cc2ccc(N(C)C)cc2)cc1 ZINC000257354529 401110304 /nfs/dbraw/zinc/11/03/04/401110304.db2.gz YHHMOFBXKAZYNE-UHFFFAOYSA-N 1 1 312.442 3.382 10 30 DGEEMO C=CCN(Cc1ccccc1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000261400999 401111477 /nfs/dbraw/zinc/11/14/77/401111477.db2.gz GMWKRWMFVDCXDU-NRFANRHFSA-N 1 1 324.468 3.168 10 30 DGEEMO C=CC[N@H+](Cc1ccccc1)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000261400999 401111479 /nfs/dbraw/zinc/11/14/79/401111479.db2.gz GMWKRWMFVDCXDU-NRFANRHFSA-N 1 1 324.468 3.168 10 30 DGEEMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000261400999 401111483 /nfs/dbraw/zinc/11/14/83/401111483.db2.gz GMWKRWMFVDCXDU-NRFANRHFSA-N 1 1 324.468 3.168 10 30 DGEEMO C=CC[C@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625698656 401184221 /nfs/dbraw/zinc/18/42/21/401184221.db2.gz UWYBPJANWVZBPM-ZYSHUDEJSA-N 1 1 312.457 3.225 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000625700578 401185377 /nfs/dbraw/zinc/18/53/77/401185377.db2.gz KSGYMYFUOXYGHH-NSHDSACASA-N 1 1 305.328 3.413 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(SC)cc2)C1 ZINC000625701893 401185690 /nfs/dbraw/zinc/18/56/90/401185690.db2.gz LZDBKAXWTNTPEZ-CABCVRRESA-N 1 1 307.459 3.046 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000625702241 401186423 /nfs/dbraw/zinc/18/64/23/401186423.db2.gz FXEPEODZHTWYIZ-AWEZNQCLSA-N 1 1 306.837 3.244 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000625703954 401188404 /nfs/dbraw/zinc/18/84/04/401188404.db2.gz QFHCUDUXHIHHPH-GJZGRUSLSA-N 1 1 304.409 3.243 10 30 DGEEMO C=CC(C)(C)CCNc1ncnc2c1cnn2-c1cc[nH+]cc1 ZINC000630384862 401255594 /nfs/dbraw/zinc/25/55/94/401255594.db2.gz GUGSUAWNPIRDMB-UHFFFAOYSA-N 1 1 308.389 3.225 10 30 DGEEMO C=CCSc1ccccc1C(=O)N1CC[NH+](CCCF)CC1 ZINC000627960771 401505996 /nfs/dbraw/zinc/50/59/96/401505996.db2.gz RGXCMCKBYJMJEZ-UHFFFAOYSA-N 1 1 322.449 3.082 10 30 DGEEMO C=CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCC ZINC000628058405 401518375 /nfs/dbraw/zinc/51/83/75/401518375.db2.gz JRPFJLTWRRRXBK-QZTJIDSGSA-N 1 1 300.446 3.227 10 30 DGEEMO C=C[C@@H](CC(=O)NC[C@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC000628965192 401651208 /nfs/dbraw/zinc/65/12/08/401651208.db2.gz KOKIXOJGUYEKQG-QFBILLFUSA-N 1 1 312.457 3.479 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000624375031 401656518 /nfs/dbraw/zinc/65/65/18/401656518.db2.gz DVZROVWQRMOFGX-HZPDHXFCSA-N 1 1 305.466 3.001 10 30 DGEEMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000191386858 165248469 /nfs/dbraw/zinc/24/84/69/165248469.db2.gz SFLOIOXUJDPVIQ-WMLDXEAASA-N 1 1 309.413 3.283 10 30 DGEEMO N#Cc1cccc(OCC[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000195356069 165366904 /nfs/dbraw/zinc/36/69/04/165366904.db2.gz QRVOVHXZKSPDGU-HNNXBMFYSA-N 1 1 313.426 3.273 10 30 DGEEMO N#Cc1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000228719894 165390205 /nfs/dbraw/zinc/39/02/05/165390205.db2.gz CJNLAFYBKSLVFU-DOTOQJQBSA-N 1 1 304.821 3.339 10 30 DGEEMO Cn1cc([C@@H]2CC[N@@H+](Cc3cccc(OCCCC#N)c3)C2)cn1 ZINC000128419578 227009462 /nfs/dbraw/zinc/00/94/62/227009462.db2.gz JEZBVZKZNXAVHN-QGZVFWFLSA-N 1 1 324.428 3.092 10 30 DGEEMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccc(C#N)cc1Br ZINC000191184544 432231702 /nfs/dbraw/zinc/23/17/02/432231702.db2.gz JGDZIEFNRMTKDR-GHMZBOCLSA-N 1 1 323.234 3.054 10 30 DGEEMO CCC[N@@H+]1Cc2cccc(NC(=O)Cc3cccc(C#N)c3)c2C1 ZINC000531152114 267020252 /nfs/dbraw/zinc/02/02/52/267020252.db2.gz ATCNKHCMCZKBSS-UHFFFAOYSA-N 1 1 319.408 3.465 10 30 DGEEMO CCC[N@H+]1Cc2cccc(NC(=O)Cc3cccc(C#N)c3)c2C1 ZINC000531152114 267020255 /nfs/dbraw/zinc/02/02/55/267020255.db2.gz ATCNKHCMCZKBSS-UHFFFAOYSA-N 1 1 319.408 3.465 10 30 DGEEMO C[C@@]1(CNc2cnccc2C#N)CCC[N@H+]1Cc1ccccc1 ZINC000397912223 267115738 /nfs/dbraw/zinc/11/57/38/267115738.db2.gz IFBTZBNGHXCYQK-IBGZPJMESA-N 1 1 306.413 3.420 10 30 DGEEMO N#Cc1ccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nc1 ZINC000378614625 268127574 /nfs/dbraw/zinc/12/75/74/268127574.db2.gz GRUFCNWOZWODNP-MOPGFXCFSA-N 1 1 318.424 3.197 10 30 DGEEMO N#Cc1ccsc1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000366750622 268302347 /nfs/dbraw/zinc/30/23/47/268302347.db2.gz XJFCMPZUYJNXNU-HNNXBMFYSA-N 1 1 317.458 3.147 10 30 DGEEMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@]2(C)CCCNC2=O)C1 ZINC000330315918 277395021 /nfs/dbraw/zinc/39/50/21/277395021.db2.gz PUIUQUMQYJCAHP-RHSMWYFYSA-N 1 1 309.454 3.068 10 30 DGEEMO C#CCCOc1ccc(CN[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000113315826 431342604 /nfs/dbraw/zinc/34/26/04/431342604.db2.gz UXHOXWXITLUQPE-OAQYLSRUSA-N 1 1 322.452 3.481 10 30 DGEEMO CCc1[nH+]ccn1[C@H]1CCCN(c2ncc(C#N)cc2Cl)C1 ZINC000114709726 431407092 /nfs/dbraw/zinc/40/70/92/431407092.db2.gz CVMMRDIYLWBGNL-ZDUSSCGKSA-N 1 1 315.808 3.207 10 30 DGEEMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116289580 431499377 /nfs/dbraw/zinc/49/93/77/431499377.db2.gz DZIXXFURIDJGEW-MRXNPFEDSA-N 1 1 309.369 3.317 10 30 DGEEMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C2(C#N)CCCC2)cc1 ZINC000080253780 431764766 /nfs/dbraw/zinc/76/47/66/431764766.db2.gz MKILGHCHZYKWMM-CQSZACIVSA-N 1 1 322.412 3.442 10 30 DGEEMO C=CC[N@H+](Cc1cccs1)Cc1cnc2ccc(C#N)cn12 ZINC000119933519 431719669 /nfs/dbraw/zinc/71/96/69/431719669.db2.gz ULGJFXHEVFRLSP-UHFFFAOYSA-N 1 1 308.410 3.456 10 30 DGEEMO C=CC[N@@H+](Cc1cccs1)Cc1cnc2ccc(C#N)cn12 ZINC000119933519 431719673 /nfs/dbraw/zinc/71/96/73/431719673.db2.gz ULGJFXHEVFRLSP-UHFFFAOYSA-N 1 1 308.410 3.456 10 30 DGEEMO C=CC[N@H+](C)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000121576817 431802452 /nfs/dbraw/zinc/80/24/52/431802452.db2.gz WNGWHYQYXKXJHY-LJQANCHMSA-N 1 1 311.425 3.271 10 30 DGEEMO C=C(C)COc1cc(C[N@@H+](C[C@H](C)O)C(C)C)ccc1OC ZINC000093145744 431912879 /nfs/dbraw/zinc/91/28/79/431912879.db2.gz XVMYBCVRBXBSIY-HNNXBMFYSA-N 1 1 307.434 3.241 10 30 DGEEMO CC(C)(CCC#N)C[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000093385978 431914912 /nfs/dbraw/zinc/91/49/12/431914912.db2.gz FZNDOWHALYITDO-UHFFFAOYSA-N 1 1 319.474 3.226 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCN(CC)C[C@H]2C)cc1 ZINC000093638621 431916083 /nfs/dbraw/zinc/91/60/83/431916083.db2.gz ZQIUSMJIZLVOLN-APWZRJJASA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(CC)C[C@H]2C)cc1 ZINC000093638621 431916085 /nfs/dbraw/zinc/91/60/85/431916085.db2.gz ZQIUSMJIZLVOLN-APWZRJJASA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1ccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000093638621 431916087 /nfs/dbraw/zinc/91/60/87/431916087.db2.gz ZQIUSMJIZLVOLN-APWZRJJASA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1ccc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000093638621 431916089 /nfs/dbraw/zinc/91/60/89/431916089.db2.gz ZQIUSMJIZLVOLN-APWZRJJASA-N 1 1 302.462 3.414 10 30 DGEEMO CCCCCCCCC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000124307626 431889534 /nfs/dbraw/zinc/88/95/34/431889534.db2.gz FIWXBRDUAOVFHN-QGZVFWFLSA-N 1 1 324.509 3.449 10 30 DGEEMO CCCCCCCCC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000124307852 431889890 /nfs/dbraw/zinc/88/98/90/431889890.db2.gz FIWXBRDUAOVFHN-KRWDZBQOSA-N 1 1 324.509 3.449 10 30 DGEEMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000125854987 431937483 /nfs/dbraw/zinc/93/74/83/431937483.db2.gz WUJVJICCWJFKKS-HNNXBMFYSA-N 1 1 317.433 3.032 10 30 DGEEMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000125854987 431937485 /nfs/dbraw/zinc/93/74/85/431937485.db2.gz WUJVJICCWJFKKS-HNNXBMFYSA-N 1 1 317.433 3.032 10 30 DGEEMO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000102497038 431994686 /nfs/dbraw/zinc/99/46/86/431994686.db2.gz AKGKOJXDNANDPI-DJIMGWMZSA-N 1 1 311.429 3.397 10 30 DGEEMO C=C[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000248062661 432266494 /nfs/dbraw/zinc/26/64/94/432266494.db2.gz PIZMOBZUZVCDMW-BHIYHBOVSA-N 1 1 312.457 3.289 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1OC ZINC000174223706 432330430 /nfs/dbraw/zinc/33/04/30/432330430.db2.gz URKNMXNMWDQSQN-ZIAGYGMSSA-N 1 1 322.424 3.298 10 30 DGEEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccc(C#N)cc1Cl ZINC000252931055 432389155 /nfs/dbraw/zinc/38/91/55/432389155.db2.gz UHTJOEOZNFTHLQ-BBRMVZONSA-N 1 1 303.837 3.270 10 30 DGEEMO COc1ccc(C#N)cc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000153524396 432417885 /nfs/dbraw/zinc/41/78/85/432417885.db2.gz NZXIPJJXEYJNLI-GOSISDBHSA-N 1 1 314.429 3.490 10 30 DGEEMO C[C@H]1C[C@@H](N(C)CC#Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000177292110 432608975 /nfs/dbraw/zinc/60/89/75/432608975.db2.gz IIQJTAUYKCECTC-YOEHRIQHSA-N 1 1 324.390 3.471 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195329929 432619059 /nfs/dbraw/zinc/61/90/59/432619059.db2.gz HEHMKTFRZRNTJO-HNNXBMFYSA-N 1 1 321.490 3.056 10 30 DGEEMO CCCCCCCCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000158035116 432635955 /nfs/dbraw/zinc/63/59/55/432635955.db2.gz TYKASRPCFQQBGB-IBGZPJMESA-N 1 1 309.542 3.449 10 30 DGEEMO CCCCCCCCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000158035116 432635959 /nfs/dbraw/zinc/63/59/59/432635959.db2.gz TYKASRPCFQQBGB-IBGZPJMESA-N 1 1 309.542 3.449 10 30 DGEEMO C=CCOc1ccc(C[NH2+]C[C@H](C(C)C)N2CCCC2)cc1 ZINC000236697226 432757934 /nfs/dbraw/zinc/75/79/34/432757934.db2.gz MOLHHSIDXAAINY-LJQANCHMSA-N 1 1 302.462 3.461 10 30 DGEEMO CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)c1nccs1 ZINC000161167278 432763943 /nfs/dbraw/zinc/76/39/43/432763943.db2.gz IPIYOTDKTMVNIL-RISCZKNCSA-N 1 1 314.414 3.083 10 30 DGEEMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000245395204 432827102 /nfs/dbraw/zinc/82/71/02/432827102.db2.gz HJMWGYFTRAJFIL-GXTWGEPZSA-N 1 1 303.431 3.213 10 30 DGEEMO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000245395204 432827106 /nfs/dbraw/zinc/82/71/06/432827106.db2.gz HJMWGYFTRAJFIL-GXTWGEPZSA-N 1 1 303.431 3.213 10 30 DGEEMO C=C(CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000288017381 432883612 /nfs/dbraw/zinc/88/36/12/432883612.db2.gz NKDHPEKEHHLTEW-AYHJJNSGSA-N 1 1 313.445 3.014 10 30 DGEEMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2c2ccc(F)cc2)C1=O ZINC000337194556 433216151 /nfs/dbraw/zinc/21/61/51/433216151.db2.gz VKOQCXYDBBYYKN-IRXDYDNUSA-N 1 1 302.393 3.140 10 30 DGEEMO N#Cc1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)o1 ZINC000374600430 433233231 /nfs/dbraw/zinc/23/32/31/433233231.db2.gz BOKGTZRASSCKHP-NSISKUIASA-N 1 1 321.424 3.151 10 30 DGEEMO C=CCCCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000448028513 433350933 /nfs/dbraw/zinc/35/09/33/433350933.db2.gz DDJZTUYWHHFBDF-GOEBONIOSA-N 1 1 321.490 3.396 10 30 DGEEMO C[C@H](NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ccc(C#N)cc1F ZINC000448036289 433354740 /nfs/dbraw/zinc/35/47/40/433354740.db2.gz XDXWOCVZDPGCBY-GUYCJALGSA-N 1 1 303.425 3.468 10 30 DGEEMO C[C@H](NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccc(C#N)cc1F ZINC000448036289 433354752 /nfs/dbraw/zinc/35/47/52/433354752.db2.gz XDXWOCVZDPGCBY-GUYCJALGSA-N 1 1 303.425 3.468 10 30 DGEEMO CC(C)(CCC#N)C[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000361663081 433327917 /nfs/dbraw/zinc/32/79/17/433327917.db2.gz SOTLHOLFYPLNPC-KRWDZBQOSA-N 1 1 302.418 3.096 10 30 DGEEMO CC(C)(CCC#N)C[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000361663081 433327925 /nfs/dbraw/zinc/32/79/25/433327925.db2.gz SOTLHOLFYPLNPC-KRWDZBQOSA-N 1 1 302.418 3.096 10 30 DGEEMO C=CCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000447989643 433341573 /nfs/dbraw/zinc/34/15/73/433341573.db2.gz ITLDPZICBLQWBQ-HOTGVXAUSA-N 1 1 321.852 3.351 10 30 DGEEMO C=CCCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000447989643 433341582 /nfs/dbraw/zinc/34/15/82/433341582.db2.gz ITLDPZICBLQWBQ-HOTGVXAUSA-N 1 1 321.852 3.351 10 30 DGEEMO C=C(C)COc1cc(C[N@H+]2CCC23CCOCC3)ccc1OC ZINC000375733215 433545723 /nfs/dbraw/zinc/54/57/23/433545723.db2.gz RPESRCCVRJPINS-UHFFFAOYSA-N 1 1 317.429 3.405 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cc1OC ZINC000414469978 433634322 /nfs/dbraw/zinc/63/43/22/433634322.db2.gz HNMUYVSMDDTGLA-LJQANCHMSA-N 1 1 317.429 3.261 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cc1OC ZINC000414469978 433634333 /nfs/dbraw/zinc/63/43/33/433634333.db2.gz HNMUYVSMDDTGLA-LJQANCHMSA-N 1 1 317.429 3.261 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)cc1OC ZINC000414469977 433635875 /nfs/dbraw/zinc/63/58/75/433635875.db2.gz HNMUYVSMDDTGLA-IBGZPJMESA-N 1 1 317.429 3.261 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)cc1OC ZINC000414469977 433635889 /nfs/dbraw/zinc/63/58/89/433635889.db2.gz HNMUYVSMDDTGLA-IBGZPJMESA-N 1 1 317.429 3.261 10 30 DGEEMO C=C(Cl)CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376164009 433682726 /nfs/dbraw/zinc/68/27/26/433682726.db2.gz CVKKVBHZTHHCFT-CQSZACIVSA-N 1 1 321.852 3.362 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000362451424 433723151 /nfs/dbraw/zinc/72/31/51/433723151.db2.gz LQXBKQCFNBYGOI-JKSUJKDBSA-N 1 1 304.434 3.477 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000362451424 433723161 /nfs/dbraw/zinc/72/31/61/433723161.db2.gz LQXBKQCFNBYGOI-JKSUJKDBSA-N 1 1 304.434 3.477 10 30 DGEEMO CC#CC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000283825594 433785156 /nfs/dbraw/zinc/78/51/56/433785156.db2.gz UFKUYWPQTUZHHZ-DOTOQJQBSA-N 1 1 322.811 3.142 10 30 DGEEMO CC#CC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000283825594 433785161 /nfs/dbraw/zinc/78/51/61/433785161.db2.gz UFKUYWPQTUZHHZ-DOTOQJQBSA-N 1 1 322.811 3.142 10 30 DGEEMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000449934141 433880141 /nfs/dbraw/zinc/88/01/41/433880141.db2.gz HTFGHAYTANVPFS-DZGCQCFKSA-N 1 1 306.475 3.459 10 30 DGEEMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)CCC1 ZINC000364375197 434270319 /nfs/dbraw/zinc/27/03/19/434270319.db2.gz OMDRIYKDARFWJJ-SJORKVTESA-N 1 1 316.420 3.434 10 30 DGEEMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)CCC1 ZINC000364375197 434270330 /nfs/dbraw/zinc/27/03/30/434270330.db2.gz OMDRIYKDARFWJJ-SJORKVTESA-N 1 1 316.420 3.434 10 30 DGEEMO CC(=O)Nc1ccn([C@H]2CC[N@@H+](Cc3sccc3C)C2)n1 ZINC000328645537 434292485 /nfs/dbraw/zinc/29/24/85/434292485.db2.gz ZTQRVJAIAYVBQX-ZDUSSCGKSA-N 1 1 304.419 3.308 10 30 DGEEMO CC(=O)Nc1ccn([C@@H]2CC[N@@H+](Cc3ncoc3C(C)C)C2)n1 ZINC000328620886 434292758 /nfs/dbraw/zinc/29/27/58/434292758.db2.gz HIDHIWIUZJTNHB-CYBMUJFWSA-N 1 1 317.393 3.049 10 30 DGEEMO CC(=O)Nc1ccn([C@@H]2CC[N@H+](Cc3ncoc3C(C)C)C2)n1 ZINC000328620886 434292767 /nfs/dbraw/zinc/29/27/67/434292767.db2.gz HIDHIWIUZJTNHB-CYBMUJFWSA-N 1 1 317.393 3.049 10 30 DGEEMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328699224 434302425 /nfs/dbraw/zinc/30/24/25/434302425.db2.gz MDNNRBNWYQXURJ-TWMKSMIVSA-N 1 1 318.465 3.444 10 30 DGEEMO CC[N@H+]1CCC[C@H](NC(=O)c2cn(C)nc2C2CCCCC2)C1 ZINC000328705889 434302499 /nfs/dbraw/zinc/30/24/99/434302499.db2.gz AEPWXTJHGNZTCN-HNNXBMFYSA-N 1 1 318.465 3.257 10 30 DGEEMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C[C@@H]1CCCCNC1=O ZINC000328754609 434304595 /nfs/dbraw/zinc/30/45/95/434304595.db2.gz DURMRGIBARJIKX-ILXRZTDVSA-N 1 1 309.454 3.210 10 30 DGEEMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000329317685 434389411 /nfs/dbraw/zinc/38/94/11/434389411.db2.gz DEZGJNOFFZCUOE-CVEARBPZSA-N 1 1 323.481 3.458 10 30 DGEEMO C=CCc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc(OC)c1O ZINC000438362152 434468219 /nfs/dbraw/zinc/46/82/19/434468219.db2.gz WTPGECSCODSJGN-MELADBBJSA-N 1 1 305.418 3.127 10 30 DGEEMO C=CCc1cc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc(OC)c1O ZINC000438362152 434468226 /nfs/dbraw/zinc/46/82/26/434468226.db2.gz WTPGECSCODSJGN-MELADBBJSA-N 1 1 305.418 3.127 10 30 DGEEMO C#Cc1ccc(C[NH2+][C@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000367355275 434545669 /nfs/dbraw/zinc/54/56/69/434545669.db2.gz BCGJSAMKMPLKJL-OAHLLOKOSA-N 1 1 302.381 3.099 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1 ZINC000361115193 434802119 /nfs/dbraw/zinc/80/21/19/434802119.db2.gz WOPNXSGCWBYWKL-VQIMIIECSA-N 1 1 317.429 3.021 10 30 DGEEMO C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000372384868 434821400 /nfs/dbraw/zinc/82/14/00/434821400.db2.gz MZVKIOHDLLCADO-HZPDHXFCSA-N 1 1 306.450 3.121 10 30 DGEEMO C=CCCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000466782251 435092621 /nfs/dbraw/zinc/09/26/21/435092621.db2.gz JGKSDYHHUVZFMF-CVEARBPZSA-N 1 1 321.852 3.303 10 30 DGEEMO C=CCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000466782251 435092626 /nfs/dbraw/zinc/09/26/26/435092626.db2.gz JGKSDYHHUVZFMF-CVEARBPZSA-N 1 1 321.852 3.303 10 30 DGEEMO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C(C)(C)C)s2)C1=O ZINC000467518047 435123361 /nfs/dbraw/zinc/12/33/61/435123361.db2.gz ZNMCMEGDELRJQF-AWEZNQCLSA-N 1 1 306.475 3.264 10 30 DGEEMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C(C)(C)C)s2)C1=O ZINC000467518047 435123365 /nfs/dbraw/zinc/12/33/65/435123365.db2.gz ZNMCMEGDELRJQF-AWEZNQCLSA-N 1 1 306.475 3.264 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000537693331 435463879 /nfs/dbraw/zinc/46/38/79/435463879.db2.gz URAVPXLPHXPERO-QZTJIDSGSA-N 1 1 301.430 3.500 10 30 DGEEMO C=CCCC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000537186139 435428858 /nfs/dbraw/zinc/42/88/58/435428858.db2.gz IZFHEIHEYQHDHY-RYQLBKOJSA-N 1 1 315.461 3.476 10 30 DGEEMO Cc1cc(Nc2ccncc2C#N)c[nH+]c1N1CCCC[C@@H]1C ZINC000548163145 435674877 /nfs/dbraw/zinc/67/48/77/435674877.db2.gz WZVPBAXWNRKQQM-AWEZNQCLSA-N 1 1 307.401 3.201 10 30 DGEEMO C=C(C)Cn1c(C2CCCC2)nnc1N1CCC[N@H+](CC)CC1 ZINC000571134492 435680555 /nfs/dbraw/zinc/68/05/55/435680555.db2.gz LMMHJWRSZGXJCO-UHFFFAOYSA-N 1 1 317.481 3.044 10 30 DGEEMO CC(=O)c1ccc(C#N)cc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000542521576 314082110 /nfs/dbraw/zinc/08/21/10/314082110.db2.gz VUHPRFBWAXMVRF-UHFFFAOYSA-N 1 1 313.445 3.317 10 30 DGEEMO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1C ZINC000542834638 314102454 /nfs/dbraw/zinc/10/24/54/314102454.db2.gz SYTCTCVKXHTCNK-NSHDSACASA-N 1 1 300.381 3.381 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000185064208 337202734 /nfs/dbraw/zinc/20/27/34/337202734.db2.gz KNWAAIJFZNLFTI-HOTGVXAUSA-N 1 1 300.446 3.152 10 30 DGEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000246115854 341327321 /nfs/dbraw/zinc/32/73/21/341327321.db2.gz CSZAMPNLSKHZHA-YOEHRIQHSA-N 1 1 322.374 3.225 10 30 DGEEMO C=CC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000249130054 341394394 /nfs/dbraw/zinc/39/43/94/341394394.db2.gz DHVSMGLSQDURRP-ZWKOTPCHSA-N 1 1 300.446 3.289 10 30 DGEEMO C=CCc1cc(C[NH2+]Cc2cnc(CCC)o2)cc(OC)c1O ZINC000449609204 534417012 /nfs/dbraw/zinc/41/70/12/534417012.db2.gz ARROIMQPBWIYDD-UHFFFAOYSA-N 1 1 316.401 3.360 10 30 DGEEMO C=CCCCNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000454878944 534726333 /nfs/dbraw/zinc/72/63/33/534726333.db2.gz UNDAGUGCENCRKH-QGZVFWFLSA-N 1 1 315.461 3.116 10 30 DGEEMO C=C(C)C[N@H+](CCn1cc(C)cn1)Cc1cnn(C(C)C)c1 ZINC000352904164 526552932 /nfs/dbraw/zinc/55/29/32/526552932.db2.gz SXIOWXBSVKRODU-UHFFFAOYSA-N 1 1 301.438 3.047 10 30 DGEEMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H]1CCO[C@@H](CC)C1 ZINC000348639803 526558273 /nfs/dbraw/zinc/55/82/73/526558273.db2.gz ZMCGMXJNRCGPHU-CVEARBPZSA-N 1 1 307.434 3.355 10 30 DGEEMO N#Cc1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000162924501 526616646 /nfs/dbraw/zinc/61/66/46/526616646.db2.gz CJNLAFYBKSLVFU-WBVHZDCISA-N 1 1 304.821 3.339 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000185392736 526715105 /nfs/dbraw/zinc/71/51/05/526715105.db2.gz ZCPDZXGOLSFSFI-INIZCTEOSA-N 1 1 315.461 3.369 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CC=C(c3ccnn3C)CC2)cc1 ZINC000348670137 526865127 /nfs/dbraw/zinc/86/51/27/526865127.db2.gz IDDCQRDPBRPURA-UHFFFAOYSA-N 1 1 309.413 3.274 10 30 DGEEMO C=C1CC[NH+]([C@H]2CCCN(c3ccc(F)cc3C)C2=O)CC1 ZINC000343910519 526908140 /nfs/dbraw/zinc/90/81/40/526908140.db2.gz DADAVVFQCQVZNB-KRWDZBQOSA-N 1 1 302.393 3.282 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000348677817 526932075 /nfs/dbraw/zinc/93/20/75/526932075.db2.gz VVLJDSRFJIJWQP-UHFFFAOYSA-N 1 1 309.413 3.274 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000355647509 526935611 /nfs/dbraw/zinc/93/56/11/526935611.db2.gz HGORPULIKCRMFD-LJQANCHMSA-N 1 1 317.429 3.021 10 30 DGEEMO C=CC[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000342098168 527024729 /nfs/dbraw/zinc/02/47/29/527024729.db2.gz DUOARFFNFVQVLF-AEFFLSMTSA-N 1 1 315.461 3.305 10 30 DGEEMO C=CCC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000338569810 527325407 /nfs/dbraw/zinc/32/54/07/527325407.db2.gz WTIXQVHMJLLNOJ-LPHOPBHVSA-N 1 1 301.478 3.498 10 30 DGEEMO C=C(C)CN(CC)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000181064616 546152532 /nfs/dbraw/zinc/15/25/32/546152532.db2.gz DYLDZPFHSGERLC-INIZCTEOSA-N 1 1 303.450 3.115 10 30 DGEEMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCCC[C@@H]2CCO)c1C ZINC000342042816 546554728 /nfs/dbraw/zinc/55/47/28/546554728.db2.gz YMTKFVQDKNFITL-QGZVFWFLSA-N 1 1 318.461 3.101 10 30 DGEEMO C#CCCOc1ccc(CNCC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000733328313 574616249 /nfs/dbraw/zinc/61/62/49/574616249.db2.gz QSUYGMIDFVJGAY-QZTJIDSGSA-N 1 1 314.473 3.441 10 30 DGEEMO CC#CC[N@H+]1CCC[C@H]([C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000741779161 574641538 /nfs/dbraw/zinc/64/15/38/574641538.db2.gz QOBJQAIMLDTONM-JKSUJKDBSA-N 1 1 306.450 3.121 10 30 DGEEMO C[NH+](C)CC1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735310010 574696838 /nfs/dbraw/zinc/69/68/38/574696838.db2.gz YAZBSUKPDHNCFG-UHFFFAOYSA-N 1 1 321.852 3.016 10 30 DGEEMO CC[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H]1CCOC1 ZINC000735311681 574697226 /nfs/dbraw/zinc/69/72/26/574697226.db2.gz UDIRFAPENWWUDO-CYBMUJFWSA-N 1 1 308.809 3.101 10 30 DGEEMO C=CCCC[N@@H+](C)CC(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000121111377 622131884 /nfs/dbraw/zinc/13/18/84/622131884.db2.gz NXFXQFARDQGHKV-UHFFFAOYSA-N 1 1 315.417 3.471 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000121111377 622131887 /nfs/dbraw/zinc/13/18/87/622131887.db2.gz NXFXQFARDQGHKV-UHFFFAOYSA-N 1 1 315.417 3.471 10 30 DGEEMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](n3ccnc3CC)C2)cc1 ZINC000122908573 622427859 /nfs/dbraw/zinc/42/78/59/622427859.db2.gz WWZQSCWFJWOHHY-GOSISDBHSA-N 1 1 323.440 3.295 10 30 DGEEMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000131134966 625950032 /nfs/dbraw/zinc/95/00/32/625950032.db2.gz MDWAPNWDRTXQFB-SFHVURJKSA-N 1 1 321.428 3.347 10 30 DGEEMO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c1O ZINC000246951968 655827724 /nfs/dbraw/zinc/82/77/24/655827724.db2.gz SKYAFYIUVSTMBB-MSOLQXFVSA-N 1 1 317.429 3.273 10 30 DGEEMO N#C[C@@H]1CCC[C@@H]1N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716655241 661226076 /nfs/dbraw/zinc/22/60/76/661226076.db2.gz NYOMDYLVALLHMS-HVTWWXFQSA-N 1 1 309.457 3.321 10 30 DGEEMO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(-n2cncn2)cc1 ZINC000181909841 656511297 /nfs/dbraw/zinc/51/12/97/656511297.db2.gz AIPJYFCZZPTREQ-CYBMUJFWSA-N 1 1 321.359 3.129 10 30 DGEEMO N#CCc1cccc(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000172153905 659320800 /nfs/dbraw/zinc/32/08/00/659320800.db2.gz FEBDIZCWTUFSPW-IBGZPJMESA-N 1 1 320.392 3.184 10 30 DGEEMO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(OC)c2)c1 ZINC000175586282 659925942 /nfs/dbraw/zinc/92/59/42/659925942.db2.gz PNDQHVFJZIRHFI-HNNXBMFYSA-N 1 1 322.408 3.308 10 30 DGEEMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(OC)c2)c1 ZINC000175586282 659925946 /nfs/dbraw/zinc/92/59/46/659925946.db2.gz PNDQHVFJZIRHFI-HNNXBMFYSA-N 1 1 322.408 3.308 10 30 DGEEMO C[C@]1(NCC#Cc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000406049665 1199602642 /nfs/dbraw/zinc/60/26/42/1199602642.db2.gz GGRGMZRYTWFRQH-NRFANRHFSA-N 1 1 304.437 3.292 10 30 DGEEMO C[C@]1(NCC#Cc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000406049665 1199602645 /nfs/dbraw/zinc/60/26/45/1199602645.db2.gz GGRGMZRYTWFRQH-NRFANRHFSA-N 1 1 304.437 3.292 10 30 DGEEMO N#Cc1ccc(Br)cc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000124424251 1200352785 /nfs/dbraw/zinc/35/27/85/1200352785.db2.gz RQCMUWNJQYISPP-LLVKDONJSA-N 1 1 320.234 3.217 10 30 DGEEMO C#CCOc1ccc(CN[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000236694138 1202621200 /nfs/dbraw/zinc/62/12/00/1202621200.db2.gz BDFGTZKJDOYCBX-LJQANCHMSA-N 1 1 312.457 3.053 10 30 DGEEMO C#CCOc1ccc(C[NH2+][C@@H]2CCN(CC3CCCC3)C2)cc1 ZINC000236694138 1202621201 /nfs/dbraw/zinc/62/12/01/1202621201.db2.gz BDFGTZKJDOYCBX-LJQANCHMSA-N 1 1 312.457 3.053 10 30 DGEEMO Cc1[nH]c(CNc2cc(Br)ccc2C#N)c(C)[nH+]1 ZINC000724778726 1109159687 /nfs/dbraw/zinc/15/96/87/1109159687.db2.gz PZUWQTDDHBIPBW-UHFFFAOYSA-N 1 1 305.179 3.273 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)o1 ZINC000092968651 185350589 /nfs/dbraw/zinc/35/05/89/185350589.db2.gz RSOXHMZDEVYECG-MRXNPFEDSA-N 1 1 310.353 3.260 10 30 DGEEMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)o1 ZINC000092968651 185350590 /nfs/dbraw/zinc/35/05/90/185350590.db2.gz RSOXHMZDEVYECG-MRXNPFEDSA-N 1 1 310.353 3.260 10 30 DGEEMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000189964387 186256235 /nfs/dbraw/zinc/25/62/35/186256235.db2.gz DEXQGYPYZAAZDF-YOEHRIQHSA-N 1 1 321.428 3.425 10 30 DGEEMO N#CC1(CCC[N@@H+]2CC[C@H](O)c3ccccc3C2)CCOCC1 ZINC000369187967 283044908 /nfs/dbraw/zinc/04/49/08/283044908.db2.gz KROZJMLIUBRSIK-SFHVURJKSA-N 1 1 314.429 3.026 10 30 DGEEMO COc1ccc(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)cc1C#N ZINC000135056150 432096964 /nfs/dbraw/zinc/09/69/64/432096964.db2.gz RMASULULRWCCHL-QGZVFWFLSA-N 1 1 324.428 3.254 10 30 DGEEMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000246154440 432101019 /nfs/dbraw/zinc/10/10/19/432101019.db2.gz QBTCPKLCDCSOJU-UONOGXRCSA-N 1 1 324.515 3.089 10 30 DGEEMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCS[C@@H](C)C1 ZINC000246154440 432101023 /nfs/dbraw/zinc/10/10/23/432101023.db2.gz QBTCPKLCDCSOJU-UONOGXRCSA-N 1 1 324.515 3.089 10 30 DGEEMO C=CC[N@@H+](CCn1cc(Cl)cn1)Cc1cccc([N+](=O)[O-])c1 ZINC000459325157 243336020 /nfs/dbraw/zinc/33/60/20/243336020.db2.gz KXIAJUXWIIBVKN-UHFFFAOYSA-N 1 1 320.780 3.133 10 30 DGEEMO C=CC[N@H+](CCn1cc(Cl)cn1)Cc1cccc([N+](=O)[O-])c1 ZINC000459325157 243336025 /nfs/dbraw/zinc/33/60/25/243336025.db2.gz KXIAJUXWIIBVKN-UHFFFAOYSA-N 1 1 320.780 3.133 10 30 DGEEMO CCCCOC[C@@H](O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000248656431 285015145 /nfs/dbraw/zinc/01/51/45/285015145.db2.gz RINAPKVOCJXDGZ-QAPCUYQASA-N 1 1 304.434 3.119 10 30 DGEEMO C=CCOC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccc(F)cc2)O1 ZINC000253377682 257106080 /nfs/dbraw/zinc/10/60/80/257106080.db2.gz XVNCDTMQCTXAGO-BZSNNMDCSA-N 1 1 305.393 3.150 10 30 DGEEMO C[C@@]1(CNCc2ccc(C#N)o2)CCC[N@@H+]1Cc1ccccc1 ZINC000121797847 195349271 /nfs/dbraw/zinc/34/92/71/195349271.db2.gz QLRLOUFTKXURIG-IBGZPJMESA-N 1 1 309.413 3.296 10 30 DGEEMO C[C@@]1(CNCc2ccc(C#N)o2)CCC[N@H+]1Cc1ccccc1 ZINC000121797847 195349274 /nfs/dbraw/zinc/34/92/74/195349274.db2.gz QLRLOUFTKXURIG-IBGZPJMESA-N 1 1 309.413 3.296 10 30 DGEEMO C=C(C)CN(CC)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000494254206 533503454 /nfs/dbraw/zinc/50/34/54/533503454.db2.gz OYAIYWLLHCJRLG-UHFFFAOYSA-N 1 1 320.343 3.243 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000581888212 400083334 /nfs/dbraw/zinc/08/33/34/400083334.db2.gz VUOYDRDIGGQKKC-LPHOPBHVSA-N 1 1 300.446 3.370 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)Nc1cc(C)c(C(=O)OCC)s1 ZINC000609916319 400201040 /nfs/dbraw/zinc/20/10/40/400201040.db2.gz WSHJXUHHNBGEHQ-UHFFFAOYSA-N 1 1 324.446 3.070 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000093870213 400260950 /nfs/dbraw/zinc/26/09/50/400260950.db2.gz KEPMHACEUHVKSK-MRXNPFEDSA-N 1 1 311.429 3.050 10 30 DGEEMO C=CCC1(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)CCCCC1 ZINC000614105540 400837902 /nfs/dbraw/zinc/83/79/02/400837902.db2.gz LLFFWWWKZZLUFL-HZPDHXFCSA-N 1 1 308.441 3.158 10 30 DGEEMO N#Cc1ccc(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)c(F)c1 ZINC000619426200 400845131 /nfs/dbraw/zinc/84/51/31/400845131.db2.gz DNJZRCIJIUYSPA-UHFFFAOYSA-N 1 1 324.334 3.312 10 30 DGEEMO C=C1CC(C)(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000633494095 400972281 /nfs/dbraw/zinc/97/22/81/400972281.db2.gz ZSWDGWFBIWEWCF-ZWKOTPCHSA-N 1 1 310.441 3.076 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000625702883 401185967 /nfs/dbraw/zinc/18/59/67/401185967.db2.gz IBJQFLOYCROOBL-HNNXBMFYSA-N 1 1 300.402 3.116 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)C1 ZINC000625703953 401187210 /nfs/dbraw/zinc/18/72/10/401187210.db2.gz QFHCUDUXHIHHPH-CABCVRRESA-N 1 1 304.409 3.243 10 30 DGEEMO C=CC[C@H]1CC[N@@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000625703176 401188100 /nfs/dbraw/zinc/18/81/00/401188100.db2.gz RBIGTZJTMDIADG-BBRMVZONSA-N 1 1 302.443 3.388 10 30 DGEEMO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624325773 401651764 /nfs/dbraw/zinc/65/17/64/401651764.db2.gz ANCMYFWXCGDDSZ-GVDBMIGSSA-N 1 1 307.482 3.152 10 30 DGEEMO C=C1CC(C)(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)C1 ZINC000633327438 401672776 /nfs/dbraw/zinc/67/27/76/401672776.db2.gz AONYCTCDBQQZFR-KRWDZBQOSA-N 1 1 312.457 3.323 10 30 DGEEMO Cn1cc(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)cc1C#N ZINC000191408632 165247662 /nfs/dbraw/zinc/24/76/62/165247662.db2.gz QSXWYTMKUHJPBL-KRWDZBQOSA-N 1 1 315.804 3.203 10 30 DGEEMO N#C[C@@H]1CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000342774681 229117869 /nfs/dbraw/zinc/11/78/69/229117869.db2.gz DVVYBBXJPLTZIS-BGVWBIDGSA-N 1 1 309.457 3.464 10 30 DGEEMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(C#N)nn2)cc1 ZINC000301974342 230013706 /nfs/dbraw/zinc/01/37/06/230013706.db2.gz VKTROIGDYIDRID-LBPRGKRZSA-N 1 1 304.357 3.016 10 30 DGEEMO Cc1ccc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)nc1C#N ZINC000302674027 230343955 /nfs/dbraw/zinc/34/39/55/230343955.db2.gz SUSYJUDZJUFJQA-GOSISDBHSA-N 1 1 320.440 3.238 10 30 DGEEMO CN(Cc1ccc(C#N)c(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000361868619 266562667 /nfs/dbraw/zinc/56/26/67/266562667.db2.gz NKNLCYRIXGWJNV-IBGZPJMESA-N 1 1 323.415 3.404 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182883019 432238750 /nfs/dbraw/zinc/23/87/50/432238750.db2.gz CDFRKFGOQVQCKB-HOTGVXAUSA-N 1 1 307.482 3.247 10 30 DGEEMO CC(C)(C)OC(=O)[C@]12CCC[C@H]1C[N@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000407993910 277208638 /nfs/dbraw/zinc/20/86/38/277208638.db2.gz WDJRJMQTYYJDEE-AFIMGQEJSA-N 1 1 304.434 3.122 10 30 DGEEMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000118396083 431602779 /nfs/dbraw/zinc/60/27/79/431602779.db2.gz BVEWEJTYOCITCL-DOTOQJQBSA-N 1 1 306.413 3.448 10 30 DGEEMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000118396086 431604386 /nfs/dbraw/zinc/60/43/86/431604386.db2.gz BVEWEJTYOCITCL-NVXWUHKLSA-N 1 1 306.413 3.448 10 30 DGEEMO C=CCCC[N@@H+](C)CC(=O)c1cc(C)n([C@@H](C)COC)c1C ZINC000121084029 431743062 /nfs/dbraw/zinc/74/30/62/431743062.db2.gz OWNCDYNWCJMLHM-HNNXBMFYSA-N 1 1 306.450 3.393 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)c1cc(C)n([C@@H](C)COC)c1C ZINC000121084029 431743069 /nfs/dbraw/zinc/74/30/69/431743069.db2.gz OWNCDYNWCJMLHM-HNNXBMFYSA-N 1 1 306.450 3.393 10 30 DGEEMO C#CCCOc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000093644506 431915801 /nfs/dbraw/zinc/91/58/01/431915801.db2.gz DHABWNVALKDXFQ-WMZOPIPTSA-N 1 1 300.446 3.003 10 30 DGEEMO C#CCCOc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000093644506 431915809 /nfs/dbraw/zinc/91/58/09/431915809.db2.gz DHABWNVALKDXFQ-WMZOPIPTSA-N 1 1 300.446 3.003 10 30 DGEEMO C#CCCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000093644506 431915810 /nfs/dbraw/zinc/91/58/10/431915810.db2.gz DHABWNVALKDXFQ-WMZOPIPTSA-N 1 1 300.446 3.003 10 30 DGEEMO C#CCOc1ccc(C[N@@H+](C)CCc2ncc(C)s2)cc1 ZINC000093807283 431917625 /nfs/dbraw/zinc/91/76/25/431917625.db2.gz YGPHASKNSBJBLU-UHFFFAOYSA-N 1 1 300.427 3.138 10 30 DGEEMO CCc1ccc([C@@H]2CCCC[N@H+]2CC(=O)N(CC)CCC#N)o1 ZINC000124838452 431905856 /nfs/dbraw/zinc/90/58/56/431905856.db2.gz QFYROJKAZFOPBE-INIZCTEOSA-N 1 1 317.433 3.131 10 30 DGEEMO CCc1ccc([C@@H]2CCCC[N@@H+]2CC(=O)N(CC)CCC#N)o1 ZINC000124838452 431905858 /nfs/dbraw/zinc/90/58/58/431905858.db2.gz QFYROJKAZFOPBE-INIZCTEOSA-N 1 1 317.433 3.131 10 30 DGEEMO Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2cnc(C#N)cn2)cc1 ZINC000126546431 431952954 /nfs/dbraw/zinc/95/29/54/431952954.db2.gz WRSZUJNHJDKNNT-GFCCVEGCSA-N 1 1 304.357 3.016 10 30 DGEEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192009459 432323479 /nfs/dbraw/zinc/32/34/79/432323479.db2.gz ABIOZFDLJPUFRM-MRXNPFEDSA-N 1 1 312.392 3.293 10 30 DGEEMO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000192034530 432325512 /nfs/dbraw/zinc/32/55/12/432325512.db2.gz NMMFMQLLXRPXRP-INIZCTEOSA-N 1 1 324.403 3.335 10 30 DGEEMO Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)n1 ZINC000192034530 432325517 /nfs/dbraw/zinc/32/55/17/432325517.db2.gz NMMFMQLLXRPXRP-INIZCTEOSA-N 1 1 324.403 3.335 10 30 DGEEMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183796262 432326358 /nfs/dbraw/zinc/32/63/58/432326358.db2.gz FUHUDKXRERXUGA-INIZCTEOSA-N 1 1 306.413 3.227 10 30 DGEEMO COC[C@@H]([NH2+]CC#Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000192161334 432338478 /nfs/dbraw/zinc/33/84/78/432338478.db2.gz SAYUITMDVNVMTP-GOSISDBHSA-N 1 1 301.336 3.294 10 30 DGEEMO CO[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)CC[C@@H]1C ZINC000191894898 432311836 /nfs/dbraw/zinc/31/18/36/432311836.db2.gz JEOOTPBIUNTGOG-NHYWBVRUSA-N 1 1 323.234 3.178 10 30 DGEEMO CO[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)CC[C@@H]1C ZINC000191894898 432311840 /nfs/dbraw/zinc/31/18/40/432311840.db2.gz JEOOTPBIUNTGOG-NHYWBVRUSA-N 1 1 323.234 3.178 10 30 DGEEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccc(C#N)cc1Cl ZINC000252931057 432388232 /nfs/dbraw/zinc/38/82/32/432388232.db2.gz UHTJOEOZNFTHLQ-CJNGLKHVSA-N 1 1 303.837 3.270 10 30 DGEEMO Cc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccccc2)o1 ZINC000193043892 432442201 /nfs/dbraw/zinc/44/22/01/432442201.db2.gz DDVVLGRPJZOEGT-HNNXBMFYSA-N 1 1 311.385 3.186 10 30 DGEEMO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000255871540 432413409 /nfs/dbraw/zinc/41/34/09/432413409.db2.gz IUUKLCJNDNUUDA-ZIAGYGMSSA-N 1 1 321.852 3.341 10 30 DGEEMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000255871540 432413413 /nfs/dbraw/zinc/41/34/13/432413413.db2.gz IUUKLCJNDNUUDA-ZIAGYGMSSA-N 1 1 321.852 3.341 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000185570946 432511904 /nfs/dbraw/zinc/51/19/04/432511904.db2.gz AYCPBGFHGCBFLB-WMZOPIPTSA-N 1 1 300.446 3.370 10 30 DGEEMO COc1ccc([C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)c2nccn2C)cc1 ZINC000185881329 432541192 /nfs/dbraw/zinc/54/11/92/432541192.db2.gz PZSYSSUYHWACTH-LESCRADOSA-N 1 1 324.428 3.190 10 30 DGEEMO C[C@@H]1C[C@H](N(C)CC#Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000177292060 432608236 /nfs/dbraw/zinc/60/82/36/432608236.db2.gz IIQJTAUYKCECTC-RHSMWYFYSA-N 1 1 324.390 3.471 10 30 DGEEMO C[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1-c1ccccc1C#N ZINC000194710165 432570796 /nfs/dbraw/zinc/57/07/96/432570796.db2.gz APQZNVOJMCRHRN-INIZCTEOSA-N 1 1 319.408 3.049 10 30 DGEEMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000177730824 432655363 /nfs/dbraw/zinc/65/53/63/432655363.db2.gz JZCBDWKDCRENLE-FQEVSTJZSA-N 1 1 317.392 3.131 10 30 DGEEMO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000177730824 432655369 /nfs/dbraw/zinc/65/53/69/432655369.db2.gz JZCBDWKDCRENLE-FQEVSTJZSA-N 1 1 317.392 3.131 10 30 DGEEMO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000188073309 432701866 /nfs/dbraw/zinc/70/18/66/432701866.db2.gz XNJPAAAFUFBGBP-KRWDZBQOSA-N 1 1 316.445 3.198 10 30 DGEEMO C=CCc1cccc(C(C)C)c1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000188073309 432701872 /nfs/dbraw/zinc/70/18/72/432701872.db2.gz XNJPAAAFUFBGBP-KRWDZBQOSA-N 1 1 316.445 3.198 10 30 DGEEMO C[C@@]1(CNc2ccc(C#N)cn2)CCC[N@H+]1Cc1ccccc1 ZINC000160799297 432741757 /nfs/dbraw/zinc/74/17/57/432741757.db2.gz IXUYFNBMFHYYJD-IBGZPJMESA-N 1 1 306.413 3.420 10 30 DGEEMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000178923931 432787825 /nfs/dbraw/zinc/78/78/25/432787825.db2.gz LMNJYRZNGHUWTF-KRWDZBQOSA-N 1 1 318.848 3.024 10 30 DGEEMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000178923931 432787828 /nfs/dbraw/zinc/78/78/28/432787828.db2.gz LMNJYRZNGHUWTF-KRWDZBQOSA-N 1 1 318.848 3.024 10 30 DGEEMO Cc1cc(C#N)ccc1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000161745774 432795178 /nfs/dbraw/zinc/79/51/78/432795178.db2.gz QWJJOFFAJGMZTI-MRXNPFEDSA-N 1 1 313.445 3.251 10 30 DGEEMO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccccc1 ZINC000179015643 432796551 /nfs/dbraw/zinc/79/65/51/432796551.db2.gz XCKQUONYEJDWKU-MSOLQXFVSA-N 1 1 320.396 3.125 10 30 DGEEMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@](C)(CO)C1CCCCC1)C2 ZINC000330125839 432894578 /nfs/dbraw/zinc/89/45/78/432894578.db2.gz BTUCOCJHQNURLA-KSSFIOAISA-N 1 1 319.449 3.042 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000245614677 432850814 /nfs/dbraw/zinc/85/08/14/432850814.db2.gz CNXZWJQYWFVOFF-IAGOWNOFSA-N 1 1 301.434 3.039 10 30 DGEEMO N#Cc1csc(C[NH2+]Cc2ccn(Cc3ccccc3)n2)c1 ZINC000341269566 433011263 /nfs/dbraw/zinc/01/12/63/433011263.db2.gz LQODJIIGXUSUEP-UHFFFAOYSA-N 1 1 308.410 3.154 10 30 DGEEMO C#CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000373785973 433162417 /nfs/dbraw/zinc/16/24/17/433162417.db2.gz FTIPNDKZZSBNMN-MOPGFXCFSA-N 1 1 310.441 3.055 10 30 DGEEMO C=CCCCN(C)C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000290978868 433215268 /nfs/dbraw/zinc/21/52/68/433215268.db2.gz VGVAHZIJSBLJMA-UHFFFAOYSA-N 1 1 316.449 3.098 10 30 DGEEMO C[C@H](NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ccc(C#N)cc1F ZINC000447600481 433243876 /nfs/dbraw/zinc/24/38/76/433243876.db2.gz MGWNNLHOUNUMFY-BBRMVZONSA-N 1 1 301.409 3.365 10 30 DGEEMO C[C@H](NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc(C#N)cc1F ZINC000447600481 433243881 /nfs/dbraw/zinc/24/38/81/433243881.db2.gz MGWNNLHOUNUMFY-BBRMVZONSA-N 1 1 301.409 3.365 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]([C@H](C)C(=O)OC)C2CCC2)cc1 ZINC000361644427 433309984 /nfs/dbraw/zinc/30/99/84/433309984.db2.gz ADDFFTYUHXVRGM-CQSZACIVSA-N 1 1 303.402 3.167 10 30 DGEEMO C=CCOc1ccc(C[N@H+]([C@H](C)C(=O)OC)C2CCC2)cc1 ZINC000361644427 433309998 /nfs/dbraw/zinc/30/99/98/433309998.db2.gz ADDFFTYUHXVRGM-CQSZACIVSA-N 1 1 303.402 3.167 10 30 DGEEMO C=CCCCNC(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000447968606 433339011 /nfs/dbraw/zinc/33/90/11/433339011.db2.gz QPYRDZFEQFNSFQ-SFHVURJKSA-N 1 1 315.461 3.089 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)cc1 ZINC000448362984 433400092 /nfs/dbraw/zinc/40/00/92/433400092.db2.gz PMUZEQFWHMGPSN-MRXNPFEDSA-N 1 1 317.429 3.021 10 30 DGEEMO C=C(C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000454730583 433524840 /nfs/dbraw/zinc/52/48/40/433524840.db2.gz IJOTVDSTZMSPEY-HZPDHXFCSA-N 1 1 321.852 3.351 10 30 DGEEMO C=C(C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000454730583 433524848 /nfs/dbraw/zinc/52/48/48/433524848.db2.gz IJOTVDSTZMSPEY-HZPDHXFCSA-N 1 1 321.852 3.351 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000355658714 433554274 /nfs/dbraw/zinc/55/42/74/433554274.db2.gz MBAHSFOYENPPPR-HKUYNNGSSA-N 1 1 317.429 3.021 10 30 DGEEMO C=C[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000362368295 433663501 /nfs/dbraw/zinc/66/35/01/433663501.db2.gz ACRAJCUMKWLSCZ-YDHLFZDLSA-N 1 1 307.463 3.005 10 30 DGEEMO C=CCSc1ccccc1C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000362388202 433681420 /nfs/dbraw/zinc/68/14/20/433681420.db2.gz FNDIWDOTNCCYLA-AWEZNQCLSA-N 1 1 304.459 3.179 10 30 DGEEMO Cc1cc(C#N)cc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000376395905 433730206 /nfs/dbraw/zinc/73/02/06/433730206.db2.gz PHLAAXMSGDCYBR-GOSISDBHSA-N 1 1 320.440 3.220 10 30 DGEEMO CC#CC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000283825611 433784088 /nfs/dbraw/zinc/78/40/88/433784088.db2.gz UFKUYWPQTUZHHZ-RDJZCZTQSA-N 1 1 322.811 3.142 10 30 DGEEMO CC#CC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000283825611 433784095 /nfs/dbraw/zinc/78/40/95/433784095.db2.gz UFKUYWPQTUZHHZ-RDJZCZTQSA-N 1 1 322.811 3.142 10 30 DGEEMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000305059914 434028380 /nfs/dbraw/zinc/02/83/80/434028380.db2.gz GGAHPCBESOPSCJ-RHSMWYFYSA-N 1 1 305.418 3.168 10 30 DGEEMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328695647 434299758 /nfs/dbraw/zinc/29/97/58/434299758.db2.gz KNFDETIPYLRCRY-OAGGEKHMSA-N 1 1 304.438 3.055 10 30 DGEEMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328695647 434299761 /nfs/dbraw/zinc/29/97/61/434299761.db2.gz KNFDETIPYLRCRY-OAGGEKHMSA-N 1 1 304.438 3.055 10 30 DGEEMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328686996 434301513 /nfs/dbraw/zinc/30/15/13/434301513.db2.gz YSOSAJMGGSJWLJ-TZMCWYRMSA-N 1 1 306.410 3.073 10 30 DGEEMO CC(C)n1ncc2c1C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000329603132 434440714 /nfs/dbraw/zinc/44/07/14/434440714.db2.gz YIZMUDMQQHNLMC-OFQRWUPVSA-N 1 1 318.465 3.008 10 30 DGEEMO Cc1cc(C)c(C#N)c(N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000408387715 434567762 /nfs/dbraw/zinc/56/77/62/434567762.db2.gz XZBZQAPQXXUPBJ-OAHLLOKOSA-N 1 1 321.428 3.097 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444700640 434786276 /nfs/dbraw/zinc/78/62/76/434786276.db2.gz ODUPIYIGQSYFOD-QWHCGFSZSA-N 1 1 306.372 3.074 10 30 DGEEMO C=CCN1CCC([NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000453101365 434801428 /nfs/dbraw/zinc/80/14/28/434801428.db2.gz NXVAYPUJECWOIV-INIZCTEOSA-N 1 1 324.472 3.388 10 30 DGEEMO C=CC[C@@H]1[N@H+](CC(=O)Nc2nc(C)cs2)CCCC1(C)C ZINC000444773378 434790947 /nfs/dbraw/zinc/79/09/47/434790947.db2.gz CXNKFDXAZBEGQN-ZDUSSCGKSA-N 1 1 307.463 3.457 10 30 DGEEMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2nc(C)cs2)CCCC1(C)C ZINC000444773378 434790952 /nfs/dbraw/zinc/79/09/52/434790952.db2.gz CXNKFDXAZBEGQN-ZDUSSCGKSA-N 1 1 307.463 3.457 10 30 DGEEMO C=CC[C@@H](CC)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466321864 435071284 /nfs/dbraw/zinc/07/12/84/435071284.db2.gz AQDMEOZDZYXFDF-MSOLQXFVSA-N 1 1 315.461 3.257 10 30 DGEEMO C=CCOCC[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000559154806 435122937 /nfs/dbraw/zinc/12/29/37/435122937.db2.gz GGMATLSKQCTPKY-PMPSAXMXSA-N 1 1 309.450 3.164 10 30 DGEEMO C=CCCCC[N@@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000582341710 435239793 /nfs/dbraw/zinc/23/97/93/435239793.db2.gz VXLMBJTXIOAOMR-CQSZACIVSA-N 1 1 320.399 3.466 10 30 DGEEMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CCOCC1 ZINC000536648855 435399530 /nfs/dbraw/zinc/39/95/30/435399530.db2.gz UBDJRQUMMOKINU-UHFFFAOYSA-N 1 1 324.428 3.075 10 30 DGEEMO C=CCCCCCNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000516935833 435562829 /nfs/dbraw/zinc/56/28/29/435562829.db2.gz KOINSVGMAFXXAO-UHFFFAOYSA-N 1 1 309.498 3.495 10 30 DGEEMO C[C@H]1CCC[N@@H+](Cc2ccc(CNc3ccncc3C#N)cc2)C1 ZINC000547825775 314399729 /nfs/dbraw/zinc/39/97/29/314399729.db2.gz MFHMXDNSFNVTRA-INIZCTEOSA-N 1 1 320.440 3.219 10 30 DGEEMO Cc1cccc(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000181542419 323258390 /nfs/dbraw/zinc/25/83/90/323258390.db2.gz JDOBVURGBAQQSS-UHFFFAOYSA-N 1 1 320.440 3.016 10 30 DGEEMO C=CC[C@H]1N(C(=O)Cn2c[nH+]c3c2CCCC3)CCCC1(C)C ZINC000516706597 333128635 /nfs/dbraw/zinc/12/86/35/333128635.db2.gz LWLPVWFFWAUAGD-QGZVFWFLSA-N 1 1 315.461 3.355 10 30 DGEEMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000510112038 340289171 /nfs/dbraw/zinc/28/91/71/340289171.db2.gz IBJGLPMHSWBBII-OKILXGFUSA-N 1 1 320.458 3.012 10 30 DGEEMO C=CCSc1ccccc1NC(=O)C[N@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000510112038 340289172 /nfs/dbraw/zinc/28/91/72/340289172.db2.gz IBJGLPMHSWBBII-OKILXGFUSA-N 1 1 320.458 3.012 10 30 DGEEMO CC#CCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544579445 341087062 /nfs/dbraw/zinc/08/70/62/341087062.db2.gz RXGOSSSKDNPBOD-INIZCTEOSA-N 1 1 313.445 3.023 10 30 DGEEMO C=CCCC[N@@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000075862527 341186640 /nfs/dbraw/zinc/18/66/40/341186640.db2.gz UKWSTWQLXIUWON-ZDUSSCGKSA-N 1 1 306.372 3.075 10 30 DGEEMO C=CCCCN(C)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000076943999 341216026 /nfs/dbraw/zinc/21/60/26/341216026.db2.gz GEYDRGDOXJVZRP-MRXNPFEDSA-N 1 1 315.461 3.041 10 30 DGEEMO C=CCOc1ccc(CNC[C@@H]2CCC[N@@H+]2CC)cc1OCC ZINC000022936360 519034261 /nfs/dbraw/zinc/03/42/61/519034261.db2.gz XWASYAIQQGKJOW-KRWDZBQOSA-N 1 1 318.461 3.224 10 30 DGEEMO C=CCOc1ccc(CNC[C@@H]2CCC[N@H+]2CC)cc1OCC ZINC000022936360 519034267 /nfs/dbraw/zinc/03/42/67/519034267.db2.gz XWASYAIQQGKJOW-KRWDZBQOSA-N 1 1 318.461 3.224 10 30 DGEEMO C=C(C)CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000428107072 526619933 /nfs/dbraw/zinc/61/99/33/526619933.db2.gz MNHRLIKGWAWBSO-OAHLLOKOSA-N 1 1 301.434 3.186 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000342054336 526706575 /nfs/dbraw/zinc/70/65/75/526706575.db2.gz ZTLOILBGNGPOCX-KRWDZBQOSA-N 1 1 324.509 3.186 10 30 DGEEMO C=CCOCCN(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000338956374 526769184 /nfs/dbraw/zinc/76/91/84/526769184.db2.gz XVVSLBRWRWSOTI-PKOBYXMFSA-N 1 1 302.462 3.346 10 30 DGEEMO C=CCOCC[N@@H+](CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000338956374 526769189 /nfs/dbraw/zinc/76/91/89/526769189.db2.gz XVVSLBRWRWSOTI-PKOBYXMFSA-N 1 1 302.462 3.346 10 30 DGEEMO C=CCOCC[N@H+](CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000338956374 526769192 /nfs/dbraw/zinc/76/91/92/526769192.db2.gz XVVSLBRWRWSOTI-PKOBYXMFSA-N 1 1 302.462 3.346 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1OC ZINC000355135136 526867936 /nfs/dbraw/zinc/86/79/36/526867936.db2.gz NTOUANOYMZWDHU-IAGOWNOFSA-N 1 1 317.429 3.261 10 30 DGEEMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000180124579 526897580 /nfs/dbraw/zinc/89/75/80/526897580.db2.gz ODJZXLXLSIBHLE-GOSISDBHSA-N 1 1 311.429 3.421 10 30 DGEEMO C=CCCC[N@H+](C)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000339002895 527194491 /nfs/dbraw/zinc/19/44/91/527194491.db2.gz NHBLCSMKDAFUPL-YOEHRIQHSA-N 1 1 304.409 3.386 10 30 DGEEMO CC(=O)c1ccc(C#N)cc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000302054295 527231175 /nfs/dbraw/zinc/23/11/75/527231175.db2.gz PUMUBQCNMCKRBL-SJORKVTESA-N 1 1 311.429 3.212 10 30 DGEEMO C=CCc1cc(C[N@H+](C[C@H](C)OC)C(C)C)cc(OC)c1O ZINC000353777496 527237770 /nfs/dbraw/zinc/23/77/70/527237770.db2.gz BCLIQGSKWYWICW-AWEZNQCLSA-N 1 1 307.434 3.375 10 30 DGEEMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000159059483 527461746 /nfs/dbraw/zinc/46/17/46/527461746.db2.gz RHBIDNBCNPQWLZ-CQSZACIVSA-N 1 1 301.438 3.122 10 30 DGEEMO CC(C)(C#N)CCC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000174839112 527462512 /nfs/dbraw/zinc/46/25/12/527462512.db2.gz VRKPPGVFXJLFDP-HNNXBMFYSA-N 1 1 315.465 3.471 10 30 DGEEMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000174839112 527462517 /nfs/dbraw/zinc/46/25/17/527462517.db2.gz VRKPPGVFXJLFDP-HNNXBMFYSA-N 1 1 315.465 3.471 10 30 DGEEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cccc(OCCCC#N)c1 ZINC000123393286 529068834 /nfs/dbraw/zinc/06/88/34/529068834.db2.gz ZMLWWKFDJHVPIG-GOSISDBHSA-N 1 1 315.461 3.285 10 30 DGEEMO Cc1cc2c[nH]nc2c(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000329179133 546483396 /nfs/dbraw/zinc/48/33/96/546483396.db2.gz NUNLDYPTCZNCCF-AWEZNQCLSA-N 1 1 312.417 3.193 10 30 DGEEMO C#CCOc1ccccc1C[NH2+]CCN1[C@H](C)CCC[C@@H]1C ZINC000730818364 574536705 /nfs/dbraw/zinc/53/67/05/574536705.db2.gz QBPRHUYIDFYCFB-CALCHBBNSA-N 1 1 300.446 3.051 10 30 DGEEMO Cc1ccc(N=NC2CC[N@H+](Cc3ccccn3)C[C@H]2C)nc1 ZINC000734365129 574657967 /nfs/dbraw/zinc/65/79/67/574657967.db2.gz CCYHSNLWVUNBMV-OAHLLOKOSA-N 1 1 309.417 3.095 10 30 DGEEMO CCCCCCCCCC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000173812928 659402461 /nfs/dbraw/zinc/40/24/61/659402461.db2.gz FNJBYNGPMDECHG-MSOLQXFVSA-N 1 1 324.509 3.306 10 30 DGEEMO Cc1cnc(CC[N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)s1 ZINC000093807196 657279672 /nfs/dbraw/zinc/27/96/72/657279672.db2.gz DFHSINZZDXXONO-CYBMUJFWSA-N 1 1 315.442 3.417 10 30 DGEEMO C#CCOc1ccc(CNCC[N@H+](C)C2CCCCC2)cc1 ZINC000237156155 657327028 /nfs/dbraw/zinc/32/70/28/657327028.db2.gz FCKKDEQDNCVONB-UHFFFAOYSA-N 1 1 300.446 3.053 10 30 DGEEMO C#CCOc1ccc(C[NH2+]CCN(C)C2CCCCC2)cc1 ZINC000237156155 657327030 /nfs/dbraw/zinc/32/70/30/657327030.db2.gz FCKKDEQDNCVONB-UHFFFAOYSA-N 1 1 300.446 3.053 10 30 DGEEMO C=CCOCCCC(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000183184891 657377761 /nfs/dbraw/zinc/37/77/61/657377761.db2.gz CAEFKODQJVOWSL-GOSISDBHSA-N 1 1 317.429 3.177 10 30 DGEEMO C[C@@H]1CCCCN1CCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304641809 657640936 /nfs/dbraw/zinc/64/09/36/657640936.db2.gz CRIHSNBQKFZZLR-OAHLLOKOSA-N 1 1 314.477 3.166 10 30 DGEEMO C[C@H](NC(C)(C)CNC(=[NH2+])NC1CCCCC1)c1ccccc1 ZINC000304763679 657650654 /nfs/dbraw/zinc/65/06/54/657650654.db2.gz XCVLTGBGANNVLH-HNNXBMFYSA-N 1 1 316.493 3.353 10 30 DGEEMO C[C@H](C(=O)Nc1ccc(C#N)cc1)[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000239274588 659992218 /nfs/dbraw/zinc/99/22/18/659992218.db2.gz AKGKOJXDNANDPI-OIISXLGYSA-N 1 1 311.429 3.397 10 30 DGEEMO C[C@H]1C[C@H](Nc2cc(Br)ccc2C#N)CC[N@H+]1C ZINC000123363589 1200276908 /nfs/dbraw/zinc/27/69/08/1200276908.db2.gz WEJNXBPHEGSLGJ-GXFFZTMASA-N 1 1 308.223 3.215 10 30 DGEEMO N#Cc1ccc(Br)cc1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000123179923 1200276228 /nfs/dbraw/zinc/27/62/28/1200276228.db2.gz OOVJOXIUQJOSHZ-UKRRQHHQSA-N 1 1 320.234 3.359 10 30 DGEEMO C[C@@H](CNc1cc(Br)ccc1C#N)[N@@H+](C)C1CC1 ZINC000218026524 1202543291 /nfs/dbraw/zinc/54/32/91/1202543291.db2.gz YSKQYOSGXMHSQI-JTQLQIEISA-N 1 1 308.223 3.215 10 30 DGEEMO CC[C@H]1C[N@@H+](C)CCCN1c1cc(Br)ccc1C#N ZINC000234134745 1202603328 /nfs/dbraw/zinc/60/33/28/1202603328.db2.gz LQIQPKNRAJUGOW-AWEZNQCLSA-N 1 1 322.250 3.241 10 30 DGEEMO C=CC[NH+]1CCC(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000236647453 1202616551 /nfs/dbraw/zinc/61/65/51/1202616551.db2.gz YQLCJDZZWXHWHF-UHFFFAOYSA-N 1 1 317.433 3.458 10 30 DGEEMO C=CC[NH+]1CCC(NCc2ccccc2OCC2CC2)CC1 ZINC000236661584 1202617312 /nfs/dbraw/zinc/61/73/12/1202617312.db2.gz OVWFNSIUTNBHPP-UHFFFAOYSA-N 1 1 300.446 3.215 10 30 DGEEMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CCCSCC#N ZINC000184019126 529402768 /nfs/dbraw/zinc/40/27/68/529402768.db2.gz HVNOWVHIWRVQMU-MRXNPFEDSA-N 1 1 303.475 3.234 10 30 DGEEMO N#Cc1ccc2ncc(C[NH+]3CCC(OC4CCCC4)CC3)n2c1 ZINC000092758723 185338472 /nfs/dbraw/zinc/33/84/72/185338472.db2.gz ZJYHCTQDXQBTQY-UHFFFAOYSA-N 1 1 324.428 3.130 10 30 DGEEMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CCCO1 ZINC000127997169 530014728 /nfs/dbraw/zinc/01/47/28/530014728.db2.gz YLVKVZCJJCTEPQ-GOSISDBHSA-N 1 1 324.428 3.075 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279690504 215064781 /nfs/dbraw/zinc/06/47/81/215064781.db2.gz NOQJQQUXZPTXOG-QRQLOZEOSA-N 1 1 312.457 3.179 10 30 DGEEMO N#Cc1ccc(CNC[C@@H]2CCCC[N@H+]2Cc2ccccc2)o1 ZINC000174322061 198319354 /nfs/dbraw/zinc/31/93/54/198319354.db2.gz YGUCCPPZWKGKPA-KRWDZBQOSA-N 1 1 309.413 3.296 10 30 DGEEMO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1C ZINC000174528272 198348022 /nfs/dbraw/zinc/34/80/22/198348022.db2.gz PKFXZNCHHWHNAY-FZMZJTMJSA-N 1 1 320.824 3.158 10 30 DGEEMO Cn1cc([C@H]2CCC[N@H+]2Cc2cccc(OCCCC#N)c2)cn1 ZINC000131862309 432041642 /nfs/dbraw/zinc/04/16/42/432041642.db2.gz NVTXNMGUEZSVJK-LJQANCHMSA-N 1 1 324.428 3.440 10 30 DGEEMO N#C[C@H]1CC[C@@H]([NH+]2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)C1 ZINC000328740330 283066165 /nfs/dbraw/zinc/06/61/65/283066165.db2.gz IJCUXGKOTBIVHA-CMPLNLGQSA-N 1 1 312.339 3.300 10 30 DGEEMO C=CCCOCC[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449202017 240065631 /nfs/dbraw/zinc/06/56/31/240065631.db2.gz FMQDMNJUXDZXAJ-SFHVURJKSA-N 1 1 316.489 3.264 10 30 DGEEMO Cc1cc(C)c2ncc(C#N)c(N3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000246202787 432107115 /nfs/dbraw/zinc/10/71/15/432107115.db2.gz NSGIWIMTVICCGN-INIZCTEOSA-N 1 1 306.413 3.008 10 30 DGEEMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)n1 ZINC000093453326 193253634 /nfs/dbraw/zinc/25/36/34/193253634.db2.gz IUEBKYXEUZLZMX-GOSISDBHSA-N 1 1 317.396 3.247 10 30 DGEEMO Cc1cccc([C@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)n1 ZINC000093453326 193253637 /nfs/dbraw/zinc/25/36/37/193253637.db2.gz IUEBKYXEUZLZMX-GOSISDBHSA-N 1 1 317.396 3.247 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccc(F)cc1C ZINC000487956420 245128604 /nfs/dbraw/zinc/12/86/04/245128604.db2.gz LLZZXMSRLMNITO-HNNXBMFYSA-N 1 1 304.409 3.155 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C ZINC000487956420 245128605 /nfs/dbraw/zinc/12/86/05/245128605.db2.gz LLZZXMSRLMNITO-HNNXBMFYSA-N 1 1 304.409 3.155 10 30 DGEEMO COc1cc(OC)cc([C@H]2CC[N@@H+](CCCSCC#N)C2)c1 ZINC000177415804 533087354 /nfs/dbraw/zinc/08/73/54/533087354.db2.gz IZNUULWRFCXCGH-AWEZNQCLSA-N 1 1 320.458 3.140 10 30 DGEEMO CCCC(=O)N[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000158040465 197237880 /nfs/dbraw/zinc/23/78/80/197237880.db2.gz NAXLENSKTRUJJU-QGZVFWFLSA-N 1 1 318.848 3.072 10 30 DGEEMO CCCC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000158040465 197237882 /nfs/dbraw/zinc/23/78/82/197237882.db2.gz NAXLENSKTRUJJU-QGZVFWFLSA-N 1 1 318.848 3.072 10 30 DGEEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H]1c1ccc(C#N)cc1 ZINC000616609450 400185309 /nfs/dbraw/zinc/18/53/09/400185309.db2.gz AOYSRXWQNAFMGL-INIZCTEOSA-N 1 1 315.417 3.220 10 30 DGEEMO C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C(C)(C)c1ccccc1 ZINC000585754706 400138058 /nfs/dbraw/zinc/13/80/58/400138058.db2.gz VLOSTUBEFZPMBA-UHFFFAOYSA-N 1 1 313.445 3.196 10 30 DGEEMO C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000617044658 400292252 /nfs/dbraw/zinc/29/22/52/400292252.db2.gz QIZYEUCFNAIDBT-HOCLYGCPSA-N 1 1 317.433 3.135 10 30 DGEEMO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602769704 400568600 /nfs/dbraw/zinc/56/86/00/400568600.db2.gz OVCZMTVCJISZQW-AWEZNQCLSA-N 1 1 314.385 3.253 10 30 DGEEMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602769704 400568609 /nfs/dbraw/zinc/56/86/09/400568609.db2.gz OVCZMTVCJISZQW-AWEZNQCLSA-N 1 1 314.385 3.253 10 30 DGEEMO C=C(C)[C@@H]([NH2+]C)c1ncc(Br)cc1Br ZINC000133305997 400569628 /nfs/dbraw/zinc/56/96/28/400569628.db2.gz ADIOECHATCHLFA-SECBINFHSA-N 1 1 320.028 3.443 10 30 DGEEMO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592522764 400663874 /nfs/dbraw/zinc/66/38/74/400663874.db2.gz RNJRBHLHRIAFBO-RCBBPTIPSA-N 1 1 324.346 3.459 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000605875959 400886329 /nfs/dbraw/zinc/88/63/29/400886329.db2.gz DJNZECSKBLDOHY-SJLPKXTDSA-N 1 1 315.461 3.430 10 30 DGEEMO C=CCCn1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)nn1 ZINC000593994968 400937720 /nfs/dbraw/zinc/93/77/20/400937720.db2.gz OZASCBAMFXNONQ-GOSISDBHSA-N 1 1 309.417 3.379 10 30 DGEEMO C=CCCC(C)(C)CNC(=O)N(C)CCCn1cc[nH+]c1C ZINC000633410848 400939819 /nfs/dbraw/zinc/93/98/19/400939819.db2.gz FAOYAZNOGQCNHZ-UHFFFAOYSA-N 1 1 306.454 3.215 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000606447398 400914834 /nfs/dbraw/zinc/91/48/34/400914834.db2.gz GQYVZLVDPAXBRK-KRWDZBQOSA-N 1 1 302.462 3.282 10 30 DGEEMO C=CCC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000248243265 401068538 /nfs/dbraw/zinc/06/85/38/401068538.db2.gz FUVAGZZUMKRDJG-QZTJIDSGSA-N 1 1 307.409 3.134 10 30 DGEEMO C=CC[N@H+](CCc1ccco1)Cc1cccc(C(=O)OCC)n1 ZINC000600143655 401193339 /nfs/dbraw/zinc/19/33/39/401193339.db2.gz TXCZIBPAUXWCPD-UHFFFAOYSA-N 1 1 314.385 3.082 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](C)c2ccccc2OC)C1 ZINC000625701408 401185894 /nfs/dbraw/zinc/18/58/94/401185894.db2.gz RDVYEXHVRMMTEZ-HZPDHXFCSA-N 1 1 316.445 3.113 10 30 DGEEMO C=CC[C@@H]1CC[N@@H+](Cc2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000625700888 401186449 /nfs/dbraw/zinc/18/64/49/401186449.db2.gz FPNJXFMJYJBADN-GFCCVEGCSA-N 1 1 303.431 3.412 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2nc(=O)c3c(C)c(C)sc3[nH]2)C1 ZINC000625700888 401186456 /nfs/dbraw/zinc/18/64/56/401186456.db2.gz FPNJXFMJYJBADN-GFCCVEGCSA-N 1 1 303.431 3.412 10 30 DGEEMO C=CCCn1cc(C[NH2+]Cc2ccccc2CC(F)(F)F)nn1 ZINC000623821945 401583631 /nfs/dbraw/zinc/58/36/31/401583631.db2.gz NJKHFUOYKMHLCI-UHFFFAOYSA-N 1 1 324.350 3.249 10 30 DGEEMO C=CCOc1ccc(C[NH2+]C(C)(C)c2nc(C)cc(=O)[nH]2)cc1 ZINC000628374353 401585364 /nfs/dbraw/zinc/58/53/64/401585364.db2.gz FSXZFAHCWSQYSO-UHFFFAOYSA-N 1 1 313.401 3.080 10 30 DGEEMO C=CC(C)(C)CCNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000624459751 401662348 /nfs/dbraw/zinc/66/23/48/401662348.db2.gz HQEMWKDCTKJWKN-INIZCTEOSA-N 1 1 307.482 3.010 10 30 DGEEMO C=C1CC(C)(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000633327444 401672801 /nfs/dbraw/zinc/67/28/01/401672801.db2.gz AONYCTCDBQQZFR-QGZVFWFLSA-N 1 1 312.457 3.323 10 30 DGEEMO CC[N@H+]1CCC[C@@H](Nc2c(C#N)cnc3c(F)cc(F)cc32)C1 ZINC000171819263 432175484 /nfs/dbraw/zinc/17/54/84/432175484.db2.gz OOSLJAUIVMUTEI-CYBMUJFWSA-N 1 1 316.355 3.281 10 30 DGEEMO N#Cc1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000302179509 230144829 /nfs/dbraw/zinc/14/48/29/230144829.db2.gz RLYLRDARRWXNCD-FFZOFVMBSA-N 1 1 318.424 3.276 10 30 DGEEMO N#Cc1cccc(NCC[N@H+]2CCc3c(Cl)cccc3C2)n1 ZINC000302616739 230319746 /nfs/dbraw/zinc/31/97/46/230319746.db2.gz CRCBESVSPZDREP-UHFFFAOYSA-N 1 1 312.804 3.077 10 30 DGEEMO N#Cc1cccc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)n1 ZINC000302616739 230319750 /nfs/dbraw/zinc/31/97/50/230319750.db2.gz CRCBESVSPZDREP-UHFFFAOYSA-N 1 1 312.804 3.077 10 30 DGEEMO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(C#N)cc1F ZINC000358585003 270003991 /nfs/dbraw/zinc/00/39/91/270003991.db2.gz IFOUXHFDAWSPQF-SCLBCKFNSA-N 1 1 323.371 3.153 10 30 DGEEMO C[C@@H](CCNCc1nc(C#N)cs1)[N@@H+](C)Cc1ccccc1 ZINC000352842592 265192926 /nfs/dbraw/zinc/19/29/26/265192926.db2.gz PHUKVGZYDIJYAB-AWEZNQCLSA-N 1 1 314.458 3.015 10 30 DGEEMO C[C@@]1(CNc2cccnc2C#N)CCC[N@H+]1Cc1ccccc1 ZINC000357434166 267117162 /nfs/dbraw/zinc/11/71/62/267117162.db2.gz CDNLOSSBCPSGBP-IBGZPJMESA-N 1 1 306.413 3.420 10 30 DGEEMO C[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1n1ccnc1 ZINC000245575124 274300961 /nfs/dbraw/zinc/30/09/61/274300961.db2.gz HNJHZYFMABWZKK-CRAIPNDOSA-N 1 1 313.832 3.471 10 30 DGEEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccc(C#N)cc1Cl ZINC000162922108 274372382 /nfs/dbraw/zinc/37/23/82/274372382.db2.gz UHTJOEOZNFTHLQ-CZUORRHYSA-N 1 1 303.837 3.270 10 30 DGEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C2(C#N)CCCCC2)C1 ZINC000070021796 431236151 /nfs/dbraw/zinc/23/61/51/431236151.db2.gz RWCZIPRIOJKRHD-OAHLLOKOSA-N 1 1 314.433 3.083 10 30 DGEEMO C=CC[NH+](CC=C)CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000114723972 431406360 /nfs/dbraw/zinc/40/63/60/431406360.db2.gz WCHMQKQNJNHQKB-SFHVURJKSA-N 1 1 314.429 3.033 10 30 DGEEMO C=CCCC[N@@H+](C)[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000076736027 431562171 /nfs/dbraw/zinc/56/21/71/431562171.db2.gz RWVBPTBDJDZRLD-CYBMUJFWSA-N 1 1 312.421 3.156 10 30 DGEEMO C=CCCC[N@H+](C)[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000076736027 431562176 /nfs/dbraw/zinc/56/21/76/431562176.db2.gz RWVBPTBDJDZRLD-CYBMUJFWSA-N 1 1 312.421 3.156 10 30 DGEEMO Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)[nH+]1 ZINC000119542434 431703680 /nfs/dbraw/zinc/70/36/80/431703680.db2.gz ANZQDUUFLKTHEO-MRXNPFEDSA-N 1 1 324.403 3.335 10 30 DGEEMO Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC000119542434 431703687 /nfs/dbraw/zinc/70/36/87/431703687.db2.gz ANZQDUUFLKTHEO-MRXNPFEDSA-N 1 1 324.403 3.335 10 30 DGEEMO C=C[C@H](CC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000119212344 431663185 /nfs/dbraw/zinc/66/31/85/431663185.db2.gz JLODSMFXIKDROA-AEFFLSMTSA-N 1 1 300.446 3.289 10 30 DGEEMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000121077186 431742923 /nfs/dbraw/zinc/74/29/23/431742923.db2.gz MDQBDRCLLOQAKR-PQUAAJSLSA-N 1 1 305.466 3.204 10 30 DGEEMO C[C@H](CC#N)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000081306494 431788878 /nfs/dbraw/zinc/78/88/78/431788878.db2.gz IVCLEUJUOJVMLZ-QGZVFWFLSA-N 1 1 321.424 3.107 10 30 DGEEMO CCc1[nH+]ccn1[C@@H]1CCCN(c2nc(C)cc(C)c2C#N)C1 ZINC000122917116 431848463 /nfs/dbraw/zinc/84/84/63/431848463.db2.gz LTDMJSOLJVYDCK-OAHLLOKOSA-N 1 1 309.417 3.171 10 30 DGEEMO N#Cc1cccc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c1 ZINC000123597728 431869009 /nfs/dbraw/zinc/86/90/09/431869009.db2.gz FUOZSBBJJYMIIV-IAGOWNOFSA-N 1 1 302.443 3.045 10 30 DGEEMO CN(CCC#N)c1ccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000093438324 431914413 /nfs/dbraw/zinc/91/44/13/431914413.db2.gz VPUVDOJERYLVPM-LJQANCHMSA-N 1 1 323.444 3.487 10 30 DGEEMO C=CCOc1ccccc1CN(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000093639072 431915036 /nfs/dbraw/zinc/91/50/36/431915036.db2.gz NSMAKJGEQAXRIC-AEFFLSMTSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCCC[N@H+](C)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000093533655 431916280 /nfs/dbraw/zinc/91/62/80/431916280.db2.gz BTGKCHNIEQDREZ-UHFFFAOYSA-N 1 1 316.445 3.086 10 30 DGEEMO C[C@@H](c1ccccc1)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000098136866 431979499 /nfs/dbraw/zinc/97/94/99/431979499.db2.gz CDSDWUWRIRCWFV-INIZCTEOSA-N 1 1 306.413 3.227 10 30 DGEEMO C=CCCC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000183251383 432274993 /nfs/dbraw/zinc/27/49/93/432274993.db2.gz ZEMCSMQXJQJIBL-PKOBYXMFSA-N 1 1 314.429 3.055 10 30 DGEEMO C=CC[N@@H+](CCOC)Cc1ccc(Br)cc1OC ZINC000191762130 432299649 /nfs/dbraw/zinc/29/96/49/432299649.db2.gz RTINTOCEMXWRQI-UHFFFAOYSA-N 1 1 314.223 3.092 10 30 DGEEMO C=CC[N@H+](CCOC)Cc1ccc(Br)cc1OC ZINC000191762130 432299651 /nfs/dbraw/zinc/29/96/51/432299651.db2.gz RTINTOCEMXWRQI-UHFFFAOYSA-N 1 1 314.223 3.092 10 30 DGEEMO CCCCCCCCC[N@@H+]1CC[C@H](N2CCN(CC)CC2)C1 ZINC000192013326 432323698 /nfs/dbraw/zinc/32/36/98/432323698.db2.gz MSKWBTASEPMZPA-IBGZPJMESA-N 1 1 309.542 3.449 10 30 DGEEMO CCCCCCCCC[N@H+]1CC[C@H](N2CCN(CC)CC2)C1 ZINC000192013326 432323703 /nfs/dbraw/zinc/32/37/03/432323703.db2.gz MSKWBTASEPMZPA-IBGZPJMESA-N 1 1 309.542 3.449 10 30 DGEEMO C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC#Cc1ccccc1 ZINC000192053419 432329282 /nfs/dbraw/zinc/32/92/82/432329282.db2.gz PJRNTPADHVSYER-ZHRRBRCNSA-N 1 1 311.450 3.469 10 30 DGEEMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000192053419 432329284 /nfs/dbraw/zinc/32/92/84/432329284.db2.gz PJRNTPADHVSYER-ZHRRBRCNSA-N 1 1 311.450 3.469 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1OC ZINC000174221263 432330417 /nfs/dbraw/zinc/33/04/17/432330417.db2.gz QWJGNIIXRUINHS-KGLIPLIRSA-N 1 1 320.408 3.074 10 30 DGEEMO C(#Cc1ccccc1)C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000192064947 432331096 /nfs/dbraw/zinc/33/10/96/432331096.db2.gz KXPSNSJYIGAJKS-NRFANRHFSA-N 1 1 305.421 3.372 10 30 DGEEMO C#CCCCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000192195515 432344352 /nfs/dbraw/zinc/34/43/52/432344352.db2.gz DROYADBBXMNHKW-RDJZCZTQSA-N 1 1 304.821 3.005 10 30 DGEEMO C#CCCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000192195515 432344356 /nfs/dbraw/zinc/34/43/56/432344356.db2.gz DROYADBBXMNHKW-RDJZCZTQSA-N 1 1 304.821 3.005 10 30 DGEEMO C#CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000248643105 432310384 /nfs/dbraw/zinc/31/03/84/432310384.db2.gz YOTCIOQOKVLCFW-CVEARBPZSA-N 1 1 318.848 3.251 10 30 DGEEMO C#CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000248643105 432310390 /nfs/dbraw/zinc/31/03/90/432310390.db2.gz YOTCIOQOKVLCFW-CVEARBPZSA-N 1 1 318.848 3.251 10 30 DGEEMO N#Cc1ccccc1N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000191937418 432315915 /nfs/dbraw/zinc/31/59/15/432315915.db2.gz UOIRJPIHSLFXDO-UHFFFAOYSA-N 1 1 315.420 3.122 10 30 DGEEMO C=CCCCCC[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156780128 432608750 /nfs/dbraw/zinc/60/87/50/432608750.db2.gz MCUCJBVHBACWDO-UHFFFAOYSA-N 1 1 320.458 3.010 10 30 DGEEMO C=CCCCCC[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000156780128 432608754 /nfs/dbraw/zinc/60/87/54/432608754.db2.gz MCUCJBVHBACWDO-UHFFFAOYSA-N 1 1 320.458 3.010 10 30 DGEEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3C)C2)no1 ZINC000186204214 432568451 /nfs/dbraw/zinc/56/84/51/432568451.db2.gz VCIVTIURZLYWAU-INIZCTEOSA-N 1 1 310.401 3.013 10 30 DGEEMO Cc1cc(C#N)ccc1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000162761288 432833182 /nfs/dbraw/zinc/83/31/82/432833182.db2.gz WYYFVSHVXKFQIP-CQSZACIVSA-N 1 1 313.445 3.107 10 30 DGEEMO C=C(C)CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245514958 432838960 /nfs/dbraw/zinc/83/89/60/432838960.db2.gz CUQNUEQUZCOFOF-HOTGVXAUSA-N 1 1 321.852 3.303 10 30 DGEEMO C=C(C)CN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245514958 432838962 /nfs/dbraw/zinc/83/89/62/432838962.db2.gz CUQNUEQUZCOFOF-HOTGVXAUSA-N 1 1 321.852 3.303 10 30 DGEEMO COc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)cc1 ZINC000246023994 432874708 /nfs/dbraw/zinc/87/47/08/432874708.db2.gz MTNIWHQSEWJDBJ-UYAOXDASSA-N 1 1 322.408 3.090 10 30 DGEEMO CC[C@H](NC(=O)NC[C@H]1CCc2[nH+]ccn2C1)c1cccs1 ZINC000329953620 432884443 /nfs/dbraw/zinc/88/44/43/432884443.db2.gz NGWFFJLWPAHYKL-OLZOCXBDSA-N 1 1 318.446 3.162 10 30 DGEEMO C=C(CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000288131260 432888049 /nfs/dbraw/zinc/88/80/49/432888049.db2.gz XJWUCSGRYURUSY-AEFFLSMTSA-N 1 1 315.461 3.072 10 30 DGEEMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000245659610 432853920 /nfs/dbraw/zinc/85/39/20/432853920.db2.gz PJOFTVDUSMKQJX-ZWKOTPCHSA-N 1 1 320.396 3.125 10 30 DGEEMO C=CCCC[N@@H+](C)Cc1ncc(I)s1 ZINC000290060808 432986252 /nfs/dbraw/zinc/98/62/52/432986252.db2.gz PIPYWKPACVNNEZ-UHFFFAOYSA-N 1 1 322.215 3.146 10 30 DGEEMO C=CCCC[N@H+](C)Cc1ncc(I)s1 ZINC000290060808 432986254 /nfs/dbraw/zinc/98/62/54/432986254.db2.gz PIPYWKPACVNNEZ-UHFFFAOYSA-N 1 1 322.215 3.146 10 30 DGEEMO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000298319805 433092720 /nfs/dbraw/zinc/09/27/20/433092720.db2.gz RYISUFNRXWVNNJ-YVEFUNNKSA-N 1 1 319.836 3.141 10 30 DGEEMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000298319805 433092730 /nfs/dbraw/zinc/09/27/30/433092730.db2.gz RYISUFNRXWVNNJ-YVEFUNNKSA-N 1 1 319.836 3.141 10 30 DGEEMO COc1cc(C[N@H+]2CC[C@H](O)c3ccccc3C2)ccc1C#N ZINC000374219672 433180781 /nfs/dbraw/zinc/18/07/81/433180781.db2.gz XWYCSQCTMBOJTK-SFHVURJKSA-N 1 1 308.381 3.006 10 30 DGEEMO C=CC[NH+]1CCC(Nc2ccnc3cc(F)c(OC)cc32)CC1 ZINC000280831619 433191816 /nfs/dbraw/zinc/19/18/16/433191816.db2.gz ZEOPQZKOVYWKBE-UHFFFAOYSA-N 1 1 315.392 3.445 10 30 DGEEMO N#Cc1ccnc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000341939525 433372925 /nfs/dbraw/zinc/37/29/25/433372925.db2.gz ZXXUZHXSMJDNGI-GOSISDBHSA-N 1 1 306.413 3.420 10 30 DGEEMO C=CCOCCN(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000338956372 433328488 /nfs/dbraw/zinc/32/84/88/433328488.db2.gz XVVSLBRWRWSOTI-IEBWSBKVSA-N 1 1 302.462 3.346 10 30 DGEEMO C=CCOCC[N@@H+](CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000338956372 433328498 /nfs/dbraw/zinc/32/84/98/433328498.db2.gz XVVSLBRWRWSOTI-IEBWSBKVSA-N 1 1 302.462 3.346 10 30 DGEEMO C=CCOCC[N@H+](CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000338956372 433328508 /nfs/dbraw/zinc/32/85/08/433328508.db2.gz XVVSLBRWRWSOTI-IEBWSBKVSA-N 1 1 302.462 3.346 10 30 DGEEMO C=CCCCNC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000447990467 433343978 /nfs/dbraw/zinc/34/39/78/433343978.db2.gz RUJGXQFEAJCSTC-NVXWUHKLSA-N 1 1 301.434 3.087 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)cc1 ZINC000448362983 433395669 /nfs/dbraw/zinc/39/56/69/433395669.db2.gz PMUZEQFWHMGPSN-INIZCTEOSA-N 1 1 317.429 3.021 10 30 DGEEMO C=CCCCNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000448391724 433405351 /nfs/dbraw/zinc/40/53/51/433405351.db2.gz UUTUWGPXSRUOQW-GOSISDBHSA-N 1 1 315.461 3.259 10 30 DGEEMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000281957116 433441289 /nfs/dbraw/zinc/44/12/89/433441289.db2.gz FXZBLOPBRLMERZ-IBGZPJMESA-N 1 1 319.452 3.451 10 30 DGEEMO CC[N@H+]1CCCC[C@@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000301249511 433467577 /nfs/dbraw/zinc/46/75/77/433467577.db2.gz BTVCCQNCYPEVBY-GFCCVEGCSA-N 1 1 312.339 3.258 10 30 DGEEMO Cc1cc(NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c(C#N)c(C)n1 ZINC000301797220 433729620 /nfs/dbraw/zinc/72/96/20/433729620.db2.gz UEAHEUZHLTVLNB-OAHLLOKOSA-N 1 1 320.440 3.429 10 30 DGEEMO C=C[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000357156341 433886799 /nfs/dbraw/zinc/88/67/99/433886799.db2.gz ZFRDYNKULHXQPN-UONOGXRCSA-N 1 1 301.434 3.205 10 30 DGEEMO Cc1cc(C#N)cc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000303741918 433963533 /nfs/dbraw/zinc/96/35/33/433963533.db2.gz VLSCTZHPJGBDLY-SFHVURJKSA-N 1 1 306.413 3.338 10 30 DGEEMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(C(=O)OC)cn1 ZINC000286127279 434170515 /nfs/dbraw/zinc/17/05/15/434170515.db2.gz WERNHMBEZLTHQP-UHFFFAOYSA-N 1 1 310.397 3.099 10 30 DGEEMO C#Cc1ccccc1CC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000365875690 434312381 /nfs/dbraw/zinc/31/23/81/434312381.db2.gz AXUFUEKUNHUFBK-UHFFFAOYSA-N 1 1 316.404 3.327 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000358394089 434393713 /nfs/dbraw/zinc/39/37/13/434393713.db2.gz FXASCOBGTQURFC-HKUYNNGSSA-N 1 1 302.462 3.398 10 30 DGEEMO C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)c1ccc(C#N)cc1F ZINC000358570665 434399410 /nfs/dbraw/zinc/39/94/10/434399410.db2.gz NOBUNYQHHGOURO-CYBMUJFWSA-N 1 1 317.408 3.139 10 30 DGEEMO Cc1cc(C)n([C@H](C)CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)n1 ZINC000329804978 434483423 /nfs/dbraw/zinc/48/34/23/434483423.db2.gz KNVCVMYDXGUSCH-MGNMYUMUSA-N 1 1 318.465 3.423 10 30 DGEEMO C=C(C)C[N@H+](CCCc1cc(CC)no1)Cc1ccc(CO)o1 ZINC000450984201 434517519 /nfs/dbraw/zinc/51/75/19/434517519.db2.gz VASWAMFTQXRMCC-UHFFFAOYSA-N 1 1 318.417 3.333 10 30 DGEEMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000424295482 434684147 /nfs/dbraw/zinc/68/41/47/434684147.db2.gz MVBMSBCZZRRHSF-LEAZDLGRSA-N 1 1 314.473 3.078 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444700635 434788094 /nfs/dbraw/zinc/78/80/94/434788094.db2.gz ODUPIYIGQSYFOD-CHWSQXEVSA-N 1 1 306.372 3.074 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)cc1 ZINC000361115192 434802160 /nfs/dbraw/zinc/80/21/60/434802160.db2.gz WOPNXSGCWBYWKL-QFBILLFUSA-N 1 1 317.429 3.021 10 30 DGEEMO C=CCCC[C@H](C)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000372465362 434831177 /nfs/dbraw/zinc/83/11/77/434831177.db2.gz PYKYSDUMMDWUSB-UONOGXRCSA-N 1 1 303.450 3.499 10 30 DGEEMO C=CC[C@H](C(=O)N1CCC(c2cnc[nH]2)CC1)c1ccccc1 ZINC000372491317 434835071 /nfs/dbraw/zinc/83/50/71/434835071.db2.gz OEQOOEXGQYUGPG-KRWDZBQOSA-N 1 1 309.413 3.476 10 30 DGEEMO C=CCC[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000467282993 435114822 /nfs/dbraw/zinc/11/48/22/435114822.db2.gz GDDPIFKGCSRJAN-LLVKDONJSA-N 1 1 304.217 3.241 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000533434915 435236285 /nfs/dbraw/zinc/23/62/85/435236285.db2.gz JVRFNPKXUIYQHH-GOSISDBHSA-N 1 1 302.462 3.440 10 30 DGEEMO C=CCCCC[N@@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000583975608 435260875 /nfs/dbraw/zinc/26/08/75/435260875.db2.gz FDZCLFQNZGZWMS-CYBMUJFWSA-N 1 1 306.372 3.123 10 30 DGEEMO C=CCNC(=O)N(CCC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000513897022 435403931 /nfs/dbraw/zinc/40/39/31/435403931.db2.gz JFDILVMZABQXIK-SFHVURJKSA-N 1 1 315.461 3.259 10 30 DGEEMO C=CCCC[C@H](C)[N@H+]1CCCN(c2nccc(OCC)n2)CC1 ZINC000537047832 435424386 /nfs/dbraw/zinc/42/43/86/435424386.db2.gz QBIQYQOFJKYAPV-INIZCTEOSA-N 1 1 318.465 3.132 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000537650070 435459960 /nfs/dbraw/zinc/45/99/60/435459960.db2.gz AVUFFGMUNFYILZ-KRWDZBQOSA-N 1 1 301.430 3.500 10 30 DGEEMO C=CCCCCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000568881231 435480020 /nfs/dbraw/zinc/48/00/20/435480020.db2.gz PWBVYUUCKAUHNF-SJLPKXTDSA-N 1 1 319.493 3.391 10 30 DGEEMO C=CCCC[C@H](C)[N@@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000538150959 435485448 /nfs/dbraw/zinc/48/54/48/435485448.db2.gz TYBIAJYDMUVEPR-INIZCTEOSA-N 1 1 310.445 3.429 10 30 DGEEMO C=CCCC[C@H](C)[N@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000538150959 435485455 /nfs/dbraw/zinc/48/54/55/435485455.db2.gz TYBIAJYDMUVEPR-INIZCTEOSA-N 1 1 310.445 3.429 10 30 DGEEMO C=CC[N@H+](CCc1ccco1)Cc1cc(C(=O)OC)oc1C ZINC000539816257 435569338 /nfs/dbraw/zinc/56/93/38/435569338.db2.gz GPPLWYXFBDYTCO-UHFFFAOYSA-N 1 1 303.358 3.198 10 30 DGEEMO C=CCCOCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000541778603 435645996 /nfs/dbraw/zinc/64/59/96/435645996.db2.gz SJUIUHDYUBXHGD-QGZVFWFLSA-N 1 1 319.836 3.345 10 30 DGEEMO C[C@@H]1C[C@@H](CCNc2ccncc2C#N)C[N@H+]1Cc1ccccc1 ZINC000548162448 435674946 /nfs/dbraw/zinc/67/49/46/435674946.db2.gz DUNRVGSTELGRNS-SJLPKXTDSA-N 1 1 320.440 3.088 10 30 DGEEMO Cn1nccc1[C@@H]1CCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000369615221 303072389 /nfs/dbraw/zinc/07/23/89/303072389.db2.gz KAFKOGISJAWQOV-KRWDZBQOSA-N 1 1 316.449 3.048 10 30 DGEEMO FC(F)C(F)(F)COCC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000188571906 333375681 /nfs/dbraw/zinc/37/56/81/333375681.db2.gz VFWHVGXEFDDMNJ-MRVPVSSYSA-N 1 1 311.241 3.178 10 30 DGEEMO CC1(C#N)CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000571312738 333729821 /nfs/dbraw/zinc/72/98/21/333729821.db2.gz UXDMCLGTDFIBID-UHFFFAOYSA-N 1 1 300.446 3.398 10 30 DGEEMO C=CCOc1ccccc1C[NH2+]C[C@H]1NCCc2ccccc21 ZINC000414956718 334209635 /nfs/dbraw/zinc/20/96/35/334209635.db2.gz OXSSBRPWHNXNIC-LJQANCHMSA-N 1 1 308.425 3.228 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000185064227 337202781 /nfs/dbraw/zinc/20/27/81/337202781.db2.gz KNWAAIJFZNLFTI-CVEARBPZSA-N 1 1 300.446 3.152 10 30 DGEEMO C=CCCc1ccccc1NC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000505038680 340159690 /nfs/dbraw/zinc/15/96/90/340159690.db2.gz LAYJDZRFQAMSCS-CABCVRRESA-N 1 1 301.434 3.362 10 30 DGEEMO C=CCCC[NH2+]Cc1c(Cl)cccc1N1CCN(C)CC1 ZINC000576190105 341832063 /nfs/dbraw/zinc/83/20/63/341832063.db2.gz JWXUCKHFEREAKG-UHFFFAOYSA-N 1 1 307.869 3.148 10 30 DGEEMO C=CC[C@@H](C)NC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000488921569 534885961 /nfs/dbraw/zinc/88/59/61/534885961.db2.gz ROIBBPSMBPSZQB-VQIMIIECSA-N 1 1 315.461 3.305 10 30 DGEEMO C=CC[N@H+](CCc1ccnn1CC)Cc1cccc([N+](=O)[O-])c1 ZINC000338549274 526328830 /nfs/dbraw/zinc/32/88/30/526328830.db2.gz PLTSDKKKFOGKCW-UHFFFAOYSA-N 1 1 314.389 3.042 10 30 DGEEMO CC#CCN(C)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000341026235 526346096 /nfs/dbraw/zinc/34/60/96/526346096.db2.gz QZFXFWBGBQOCFL-UHFFFAOYSA-N 1 1 320.436 3.171 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000341483281 526692555 /nfs/dbraw/zinc/69/25/55/526692555.db2.gz KBDYQNXKSCBCAO-AEFFLSMTSA-N 1 1 300.446 3.322 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000185468093 526711291 /nfs/dbraw/zinc/71/12/91/526711291.db2.gz XUBSSABJDIAQRC-HKUYNNGSSA-N 1 1 314.473 3.270 10 30 DGEEMO C=CCOc1ccc(C[N@H+](C)Cc2ccc(C(=O)NC)cc2)cc1 ZINC000349640595 526861884 /nfs/dbraw/zinc/86/18/84/526861884.db2.gz HRRYJNUSAUHBGW-UHFFFAOYSA-N 1 1 324.424 3.243 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCCN(CC(F)F)CC2)cc1 ZINC000349196315 526866239 /nfs/dbraw/zinc/86/62/39/526866239.db2.gz UYQILKOSLHRJTB-UHFFFAOYSA-N 1 1 310.388 3.024 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000355190483 526867702 /nfs/dbraw/zinc/86/77/02/526867702.db2.gz YQJWCBWIBNMAPU-INIZCTEOSA-N 1 1 312.417 3.058 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)cc1 ZINC000355190483 526867706 /nfs/dbraw/zinc/86/77/06/526867706.db2.gz YQJWCBWIBNMAPU-INIZCTEOSA-N 1 1 312.417 3.058 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)cc1 ZINC000355190483 526867711 /nfs/dbraw/zinc/86/77/11/526867711.db2.gz YQJWCBWIBNMAPU-INIZCTEOSA-N 1 1 312.417 3.058 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)cc1 ZINC000355190483 526867713 /nfs/dbraw/zinc/86/77/13/526867713.db2.gz YQJWCBWIBNMAPU-INIZCTEOSA-N 1 1 312.417 3.058 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]c(C)n3)C2)cc1 ZINC000355190483 526867719 /nfs/dbraw/zinc/86/77/19/526867719.db2.gz YQJWCBWIBNMAPU-INIZCTEOSA-N 1 1 312.417 3.058 10 30 DGEEMO C=CCOc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000354174283 526870857 /nfs/dbraw/zinc/87/08/57/526870857.db2.gz BGEULSYXMUUODM-IBGZPJMESA-N 1 1 300.446 3.169 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000354174283 526870884 /nfs/dbraw/zinc/87/08/84/526870884.db2.gz BGEULSYXMUUODM-IBGZPJMESA-N 1 1 300.446 3.169 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3)cc1 ZINC000354174283 526870887 /nfs/dbraw/zinc/87/08/87/526870887.db2.gz BGEULSYXMUUODM-IBGZPJMESA-N 1 1 300.446 3.169 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000355164544 526931616 /nfs/dbraw/zinc/93/16/16/526931616.db2.gz ODJOBRIGIKROPY-INIZCTEOSA-N 1 1 312.417 3.058 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000355164544 526931623 /nfs/dbraw/zinc/93/16/23/526931623.db2.gz ODJOBRIGIKROPY-INIZCTEOSA-N 1 1 312.417 3.058 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000355164544 526931629 /nfs/dbraw/zinc/93/16/29/526931629.db2.gz ODJOBRIGIKROPY-INIZCTEOSA-N 1 1 312.417 3.058 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000355164544 526931634 /nfs/dbraw/zinc/93/16/34/526931634.db2.gz ODJOBRIGIKROPY-INIZCTEOSA-N 1 1 312.417 3.058 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000355164544 526931641 /nfs/dbraw/zinc/93/16/41/526931641.db2.gz ODJOBRIGIKROPY-INIZCTEOSA-N 1 1 312.417 3.058 10 30 DGEEMO C=CCCCN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176364579 527188680 /nfs/dbraw/zinc/18/86/80/527188680.db2.gz BFYIFLJDCLYPEL-QGZVFWFLSA-N 1 1 304.409 3.215 10 30 DGEEMO C=CCCCN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000176364579 527188689 /nfs/dbraw/zinc/18/86/89/527188689.db2.gz BFYIFLJDCLYPEL-QGZVFWFLSA-N 1 1 304.409 3.215 10 30 DGEEMO C=CCCC[N@H+](C)Cc1c(C)nn(C)c1OCC(F)(F)F ZINC000128888285 527191627 /nfs/dbraw/zinc/19/16/27/527191627.db2.gz PMVNBASVSHKQOO-UHFFFAOYSA-N 1 1 305.344 3.068 10 30 DGEEMO C=CCCC[N@H+](C)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000339002892 527193770 /nfs/dbraw/zinc/19/37/70/527193770.db2.gz NHBLCSMKDAFUPL-PBHICJAKSA-N 1 1 304.409 3.386 10 30 DGEEMO C=CCc1cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc(OC)c1O ZINC000355116069 527237703 /nfs/dbraw/zinc/23/77/03/527237703.db2.gz SAGQTJPLABYPIH-SJORKVTESA-N 1 1 317.429 3.130 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338341892 527625333 /nfs/dbraw/zinc/62/53/33/527625333.db2.gz LIIYBNUZHKEWDX-MRXNPFEDSA-N 1 1 314.429 3.348 10 30 DGEEMO CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000182064743 527981957 /nfs/dbraw/zinc/98/19/57/527981957.db2.gz OOADPOXHSLYZIX-FUHWJXTLSA-N 1 1 315.461 3.360 10 30 DGEEMO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000182064743 527981958 /nfs/dbraw/zinc/98/19/58/527981958.db2.gz OOADPOXHSLYZIX-FUHWJXTLSA-N 1 1 315.461 3.360 10 30 DGEEMO C=CC1CCN(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000181308864 546155402 /nfs/dbraw/zinc/15/54/02/546155402.db2.gz CBBYTRXBQVMFGX-INIZCTEOSA-N 1 1 315.461 3.115 10 30 DGEEMO CO[C@H](C)c1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000328769418 546481620 /nfs/dbraw/zinc/48/16/20/546481620.db2.gz ILPDSJYSRLEQMY-KBRIMQKVSA-N 1 1 317.433 3.156 10 30 DGEEMO CO[C@H](C)c1cccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000328769417 546481692 /nfs/dbraw/zinc/48/16/92/546481692.db2.gz ILPDSJYSRLEQMY-COXVUDFISA-N 1 1 317.433 3.156 10 30 DGEEMO C#CCOc1ccccc1C[NH2+]CCN1[C@@H](C)CCC[C@@H]1C ZINC000730818366 574536771 /nfs/dbraw/zinc/53/67/71/574536771.db2.gz QBPRHUYIDFYCFB-IRXDYDNUSA-N 1 1 300.446 3.051 10 30 DGEEMO Cc1cc(C)nc(N=NC2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000734363336 574658032 /nfs/dbraw/zinc/65/80/32/574658032.db2.gz ZABPQBYJGOAEMY-AWEZNQCLSA-N 1 1 323.444 3.403 10 30 DGEEMO CC(C)(C)C[N@@H+](CCO)Cc1cc(Cl)ccc1OCC#N ZINC000735308970 574696684 /nfs/dbraw/zinc/69/66/84/574696684.db2.gz AJBWMAOWQLHUKC-UHFFFAOYSA-N 1 1 310.825 3.083 10 30 DGEEMO CC[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H]1CCOC1 ZINC000735311683 574697175 /nfs/dbraw/zinc/69/71/75/574697175.db2.gz UDIRFAPENWWUDO-ZDUSSCGKSA-N 1 1 308.809 3.101 10 30 DGEEMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccccc1SC(C)C ZINC000729812051 575263688 /nfs/dbraw/zinc/26/36/88/575263688.db2.gz KKBVHURKEMHMIL-HNNXBMFYSA-N 1 1 317.454 3.442 10 30 DGEEMO N#CCc1ccc(C[N@@H+]2CCS[C@H](C(F)(F)F)C2)cc1 ZINC000721450958 655655838 /nfs/dbraw/zinc/65/58/38/655655838.db2.gz RCZARPASEXMQSA-ZDUSSCGKSA-N 1 1 300.349 3.232 10 30 DGEEMO N#CCc1ccc(C[N@H+]2CCS[C@H](C(F)(F)F)C2)cc1 ZINC000721450958 655655839 /nfs/dbraw/zinc/65/58/39/655655839.db2.gz RCZARPASEXMQSA-ZDUSSCGKSA-N 1 1 300.349 3.232 10 30 DGEEMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc2c(c1)OCCO2 ZINC000181752020 656269517 /nfs/dbraw/zinc/26/95/17/656269517.db2.gz XOLPUIGMCQQUPP-LBPRGKRZSA-N 1 1 312.344 3.319 10 30 DGEEMO C[C@H]1C[C@@H](C(=O)NC2(c3ccc4c(c3)OCO4)CC2)CC[N@H+]1C ZINC000329600325 657181057 /nfs/dbraw/zinc/18/10/57/657181057.db2.gz XCJNOHRUHSHGAV-STQMWFEESA-N 1 1 316.401 3.091 10 30 DGEEMO CC(C)Cn1ccnc1C[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000174454836 659434372 /nfs/dbraw/zinc/43/43/72/659434372.db2.gz IEPMKXDPWHKYGE-OAHLLOKOSA-N 1 1 312.417 3.120 10 30 DGEEMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000159917679 661897798 /nfs/dbraw/zinc/89/77/98/661897798.db2.gz KCHRZFRZKAKHNP-ZIAGYGMSSA-N 1 1 309.417 3.061 10 30 DGEEMO COc1ccc(N2CCC[N@@H+](CC#Cc3ccccc3)CC2)cc1 ZINC000191954479 662084552 /nfs/dbraw/zinc/08/45/52/662084552.db2.gz AFIGMVYRNHZIES-UHFFFAOYSA-N 1 1 320.436 3.259 10 30 DGEEMO C#CCCOc1ccc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@@H]2C)cc1 ZINC000245695097 662238401 /nfs/dbraw/zinc/23/84/01/662238401.db2.gz CEYMSMKWTPPUSF-FXAWDEMLSA-N 1 1 314.473 3.251 10 30 DGEEMO C#CCCOc1ccc(C[N@H+](C)[C@@H]2CCN(CC)C[C@@H]2C)cc1 ZINC000245695097 662238406 /nfs/dbraw/zinc/23/84/06/662238406.db2.gz CEYMSMKWTPPUSF-FXAWDEMLSA-N 1 1 314.473 3.251 10 30 DGEEMO C#CCCOc1ccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000245695097 662238407 /nfs/dbraw/zinc/23/84/07/662238407.db2.gz CEYMSMKWTPPUSF-FXAWDEMLSA-N 1 1 314.473 3.251 10 30 DGEEMO C#CCCOc1ccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000245695097 662238410 /nfs/dbraw/zinc/23/84/10/662238410.db2.gz CEYMSMKWTPPUSF-FXAWDEMLSA-N 1 1 314.473 3.251 10 30 DGEEMO CC[C@@H]1C[N@@H+](C)CCCN1c1cc(Br)ccc1C#N ZINC000300547007 1199367984 /nfs/dbraw/zinc/36/79/84/1199367984.db2.gz LQIQPKNRAJUGOW-CQSZACIVSA-N 1 1 322.250 3.241 10 30 DGEEMO C#CC[N@@H+](CC(=O)Nc1ccc(SC)cc1)C1CCCC1 ZINC000176385348 1087717802 /nfs/dbraw/zinc/71/78/02/1087717802.db2.gz BOXKKRBAVHAESF-UHFFFAOYSA-N 1 1 302.443 3.225 10 30 DGEEMO C#CC[N@H+](CC(=O)Nc1ccc(SC)cc1)C1CCCC1 ZINC000176385348 1087717805 /nfs/dbraw/zinc/71/78/05/1087717805.db2.gz BOXKKRBAVHAESF-UHFFFAOYSA-N 1 1 302.443 3.225 10 30 DGEEMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(C#N)cn1 ZINC000719879387 1105029033 /nfs/dbraw/zinc/02/90/33/1105029033.db2.gz BXWMZOARTGLBOJ-IBGZPJMESA-N 1 1 320.440 3.444 10 30 DGEEMO CC[C@@H](C)[N@@H+](Cc1cc(C#CCO)cs1)Cc1ccncc1 ZINC000063846056 432007677 /nfs/dbraw/zinc/00/76/77/432007677.db2.gz NMAUXXVLATTWHD-OAHLLOKOSA-N 1 1 314.454 3.288 10 30 DGEEMO CN(Cc1ccc(CC#N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000343423306 529984434 /nfs/dbraw/zinc/98/44/34/529984434.db2.gz OPRONIDKFAPDII-OAQYLSRUSA-N 1 1 319.452 3.459 10 30 DGEEMO C[N@H+](Cc1ccc(CC#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000343423306 529984435 /nfs/dbraw/zinc/98/44/35/529984435.db2.gz OPRONIDKFAPDII-OAQYLSRUSA-N 1 1 319.452 3.459 10 30 DGEEMO C[N@@H+](Cc1ccc(CC#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000343423306 529984436 /nfs/dbraw/zinc/98/44/36/529984436.db2.gz OPRONIDKFAPDII-OAQYLSRUSA-N 1 1 319.452 3.459 10 30 DGEEMO CN(Cc1ccc(F)c(C#N)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000310479151 529986658 /nfs/dbraw/zinc/98/66/58/529986658.db2.gz DJGWOHYYHAQBCE-IBGZPJMESA-N 1 1 323.415 3.404 10 30 DGEEMO C[N@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000310479151 529986659 /nfs/dbraw/zinc/98/66/59/529986659.db2.gz DJGWOHYYHAQBCE-IBGZPJMESA-N 1 1 323.415 3.404 10 30 DGEEMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000310479151 529986660 /nfs/dbraw/zinc/98/66/60/529986660.db2.gz DJGWOHYYHAQBCE-IBGZPJMESA-N 1 1 323.415 3.404 10 30 DGEEMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328840186 530051587 /nfs/dbraw/zinc/05/15/87/530051587.db2.gz UMHUYJGJWLUQOM-KGLIPLIRSA-N 1 1 309.454 3.353 10 30 DGEEMO C=CCC[C@H](C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ncc(F)cn1 ZINC000072426861 191161298 /nfs/dbraw/zinc/16/12/98/191161298.db2.gz GSWKXRYEWAZZPY-HLLBOEOZSA-N 1 1 317.408 3.227 10 30 DGEEMO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCCn3nc(CC)nc32)cc1 ZINC000167783868 432066499 /nfs/dbraw/zinc/06/64/99/432066499.db2.gz WTIHYCORYIXSBB-YOEHRIQHSA-N 1 1 324.428 3.038 10 30 DGEEMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCc2ccccc21 ZINC000179906790 432073896 /nfs/dbraw/zinc/07/38/96/432073896.db2.gz FGPRTFURLKQIAO-SFHVURJKSA-N 1 1 302.381 3.325 10 30 DGEEMO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180198224 199129287 /nfs/dbraw/zinc/12/92/87/199129287.db2.gz ZSXLACOJPHWSIL-RTBURBONSA-N 1 1 319.408 3.042 10 30 DGEEMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000187703675 200147212 /nfs/dbraw/zinc/14/72/12/200147212.db2.gz VOLFHEDFIKMSTH-BBRMVZONSA-N 1 1 300.402 3.283 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c(F)c1 ZINC000281216192 216160046 /nfs/dbraw/zinc/16/00/46/216160046.db2.gz KAUUKZOGGIOLET-NXHRZFHOSA-N 1 1 302.393 3.213 10 30 DGEEMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccc1F ZINC000281398192 216271820 /nfs/dbraw/zinc/27/18/20/216271820.db2.gz NHPQDODYGXHJOU-JQHSSLGASA-N 1 1 302.393 3.213 10 30 DGEEMO C=CCCCC[C@@H](C)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000449291876 240112630 /nfs/dbraw/zinc/11/26/30/240112630.db2.gz ODVOSMIANUNXEN-OAHLLOKOSA-N 1 1 315.461 3.077 10 30 DGEEMO C=CCCCC[C@@H](C)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000449291876 240112636 /nfs/dbraw/zinc/11/26/36/240112636.db2.gz ODVOSMIANUNXEN-OAHLLOKOSA-N 1 1 315.461 3.077 10 30 DGEEMO N#Cc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)o1 ZINC000093594219 193271490 /nfs/dbraw/zinc/27/14/90/193271490.db2.gz ISCXDTOWTMWCKQ-AWEZNQCLSA-N 1 1 312.344 3.385 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)o1 ZINC000093594219 193271492 /nfs/dbraw/zinc/27/14/92/193271492.db2.gz ISCXDTOWTMWCKQ-AWEZNQCLSA-N 1 1 312.344 3.385 10 30 DGEEMO C[N@@H+](CCN(CCC#N)Cc1ccco1)Cc1ccc(F)cc1 ZINC000181729724 432143946 /nfs/dbraw/zinc/14/39/46/432143946.db2.gz HPWNXHOQZNBACA-UHFFFAOYSA-N 1 1 315.392 3.266 10 30 DGEEMO CCc1nccn1[C@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000106212615 194190089 /nfs/dbraw/zinc/19/00/89/194190089.db2.gz BVEQNVOFNKSFNT-KRWDZBQOSA-N 1 1 324.428 3.033 10 30 DGEEMO CCc1nccn1[C@@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000106217167 194190863 /nfs/dbraw/zinc/19/08/63/194190863.db2.gz XRKFSOPVNDAYOX-QGZVFWFLSA-N 1 1 324.428 3.033 10 30 DGEEMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000159237487 197338670 /nfs/dbraw/zinc/33/86/70/197338670.db2.gz CCBNVTPYDPRWMW-CQSZACIVSA-N 1 1 310.376 3.026 10 30 DGEEMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000159237487 197338672 /nfs/dbraw/zinc/33/86/72/197338672.db2.gz CCBNVTPYDPRWMW-CQSZACIVSA-N 1 1 310.376 3.026 10 30 DGEEMO Cc1cnn([C@H]2CCC[N@@H+](CCCOc3cccc(C#N)c3)C2)c1 ZINC000156232223 197097114 /nfs/dbraw/zinc/09/71/14/197097114.db2.gz DBWDGFNZHJVOLR-SFHVURJKSA-N 1 1 324.428 3.169 10 30 DGEEMO COc1ccc(C[N@H+]2CCS[C@@H](C)C2)cc1OCCCC#N ZINC000131410737 533564761 /nfs/dbraw/zinc/56/47/61/533564761.db2.gz JGNLEDUXIKNNAT-AWEZNQCLSA-N 1 1 320.458 3.315 10 30 DGEEMO C=C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617011931 400274392 /nfs/dbraw/zinc/27/43/92/400274392.db2.gz PJCFSUAVDKUBSF-NVXWUHKLSA-N 1 1 300.446 3.335 10 30 DGEEMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000617042871 400291382 /nfs/dbraw/zinc/29/13/82/400291382.db2.gz WMKINIMSPQAGJH-CABCVRRESA-N 1 1 301.434 3.013 10 30 DGEEMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000617044044 400292193 /nfs/dbraw/zinc/29/21/93/400292193.db2.gz IBEXTDRIDNADAZ-INMHGKMJSA-N 1 1 301.434 3.005 10 30 DGEEMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114494601 400387571 /nfs/dbraw/zinc/38/75/71/400387571.db2.gz CIIIUAOFQLZEEJ-QRQLOZEOSA-N 1 1 317.477 3.252 10 30 DGEEMO CC[C@@H](C#N)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000601728982 400341934 /nfs/dbraw/zinc/34/19/34/400341934.db2.gz RXCQCUQZUUUXEB-ZWKOTPCHSA-N 1 1 313.445 3.097 10 30 DGEEMO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(F)c2C#N)c2ccccc21 ZINC000602014438 400402787 /nfs/dbraw/zinc/40/27/87/400402787.db2.gz DJRMUKQYCQUCER-GOSISDBHSA-N 1 1 323.371 3.285 10 30 DGEEMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000045007665 400508318 /nfs/dbraw/zinc/50/83/18/400508318.db2.gz ZIGJBIVPDPETQC-SUMWQHHRSA-N 1 1 321.852 3.387 10 30 DGEEMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000045007665 400508320 /nfs/dbraw/zinc/50/83/20/400508320.db2.gz ZIGJBIVPDPETQC-SUMWQHHRSA-N 1 1 321.852 3.387 10 30 DGEEMO C=C(C)C[C@@H]([NH2+]C1CCC(OC2CCCC2)CC1)C(=O)OC ZINC000602738009 400558301 /nfs/dbraw/zinc/55/83/01/400558301.db2.gz FTYVKEQXLDWBNE-BDVYOWHSSA-N 1 1 309.450 3.354 10 30 DGEEMO C/C(=C\c1cccc(C(F)(F)F)c1)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522765 400663804 /nfs/dbraw/zinc/66/38/04/400663804.db2.gz RNJRBHLHRIAFBO-WQMJKPAKSA-N 1 1 324.346 3.459 10 30 DGEEMO CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000154139953 400692021 /nfs/dbraw/zinc/69/20/21/400692021.db2.gz ZGBORQNPUYQKBG-SFHVURJKSA-N 1 1 324.403 3.366 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000052076955 400716850 /nfs/dbraw/zinc/71/68/50/400716850.db2.gz AYHPDSLZJIDGNU-UHFFFAOYSA-N 1 1 304.434 3.449 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000052076955 400716854 /nfs/dbraw/zinc/71/68/54/400716854.db2.gz AYHPDSLZJIDGNU-UHFFFAOYSA-N 1 1 304.434 3.449 10 30 DGEEMO C=CCCC[N@H+](C)Cc1cn2cc(Br)ccc2n1 ZINC000605740752 400884499 /nfs/dbraw/zinc/88/44/99/400884499.db2.gz YKPNHZAYMSTIHH-UHFFFAOYSA-N 1 1 308.223 3.495 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1OC ZINC000188302993 400908137 /nfs/dbraw/zinc/90/81/37/400908137.db2.gz HSWKJQUDTAHBDS-KDOFPFPSSA-N 1 1 305.418 3.117 10 30 DGEEMO C=CCCC[N@H+](C)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000246843750 401038131 /nfs/dbraw/zinc/03/81/31/401038131.db2.gz VDBVVJFFLWOXSJ-HKUYNNGSSA-N 1 1 303.446 3.340 10 30 DGEEMO C=CCCC(C)(C)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000633965066 401167819 /nfs/dbraw/zinc/16/78/19/401167819.db2.gz WSONYTGVQJGKDU-QGZVFWFLSA-N 1 1 315.461 3.155 10 30 DGEEMO C=CCCC(C)(C)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000633965066 401167826 /nfs/dbraw/zinc/16/78/26/401167826.db2.gz WSONYTGVQJGKDU-QGZVFWFLSA-N 1 1 315.461 3.155 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000625700575 401185656 /nfs/dbraw/zinc/18/56/56/401185656.db2.gz KSGYMYFUOXYGHH-LLVKDONJSA-N 1 1 305.328 3.413 10 30 DGEEMO C=CC[C@H]1CC[N@@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000625700428 401185792 /nfs/dbraw/zinc/18/57/92/401185792.db2.gz BUMYJQWPGXSJLU-AZUAARDMSA-N 1 1 314.473 3.176 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)N2CCc3sccc3[C@@H]2CC)C1 ZINC000625702842 401185873 /nfs/dbraw/zinc/18/58/73/401185873.db2.gz JFJBWWNFESBKGU-HOCLYGCPSA-N 1 1 318.486 3.482 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)N2CCc3sccc3[C@H]2CC)C1 ZINC000625702838 401186285 /nfs/dbraw/zinc/18/62/85/401186285.db2.gz JFJBWWNFESBKGU-GDBMZVCRSA-N 1 1 318.486 3.482 10 30 DGEEMO C=CC[C@H]1CC[N@@H+](CC(=O)N2CCSc3ccccc32)C1 ZINC000625705150 401187728 /nfs/dbraw/zinc/18/77/28/401187728.db2.gz XNRSAKNLZSZEKJ-AWEZNQCLSA-N 1 1 302.443 3.023 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(OC(F)F)cc2)C1 ZINC000625705831 401188339 /nfs/dbraw/zinc/18/83/39/401188339.db2.gz ZOILAEZGDKQVDE-LBPRGKRZSA-N 1 1 310.344 3.125 10 30 DGEEMO C=C(C)CN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000626383339 401350182 /nfs/dbraw/zinc/35/01/82/401350182.db2.gz NOKMOUZWSVTFJN-RBUKOAKNSA-N 1 1 312.457 3.179 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000623466736 401524462 /nfs/dbraw/zinc/52/44/62/401524462.db2.gz KHYFUYJXRNLRQG-KSZLIROESA-N 1 1 321.509 3.352 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000628486962 401606771 /nfs/dbraw/zinc/60/67/71/401606771.db2.gz UNPXARXSRQHKGH-MRXNPFEDSA-N 1 1 313.445 3.031 10 30 DGEEMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000624544783 401669921 /nfs/dbraw/zinc/66/99/21/401669921.db2.gz DDSVWBDEMONJBT-FGTMMUONSA-N 1 1 317.477 3.286 10 30 DGEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000171692357 432161222 /nfs/dbraw/zinc/16/12/22/432161222.db2.gz QBTCPKLCDCSOJU-KBPBESRZSA-N 1 1 324.515 3.089 10 30 DGEEMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCS[C@@H](C)C1 ZINC000171692357 432161227 /nfs/dbraw/zinc/16/12/27/432161227.db2.gz QBTCPKLCDCSOJU-KBPBESRZSA-N 1 1 324.515 3.089 10 30 DGEEMO Cc1cccc(NC[C@H]2CC[N@@H+](CCCC(C)(C)C#N)C2)n1 ZINC000174839209 228293973 /nfs/dbraw/zinc/29/39/73/228293973.db2.gz YGSDVQLUKHWZPL-MRXNPFEDSA-N 1 1 300.450 3.454 10 30 DGEEMO N#Cc1ccc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000302179510 230145289 /nfs/dbraw/zinc/14/52/89/230145289.db2.gz RLYLRDARRWXNCD-LSTHTHJFSA-N 1 1 318.424 3.276 10 30 DGEEMO Cc1ccc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc1C#N ZINC000302674028 230342447 /nfs/dbraw/zinc/34/24/47/230342447.db2.gz SUSYJUDZJUFJQA-SFHVURJKSA-N 1 1 320.440 3.238 10 30 DGEEMO N#Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccn1 ZINC000367348404 268001350 /nfs/dbraw/zinc/00/13/50/268001350.db2.gz ODZCBONKHLMEML-QUCCMNQESA-N 1 1 318.424 3.197 10 30 DGEEMO N#Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC12CCC2 ZINC000365636665 268099955 /nfs/dbraw/zinc/09/99/55/268099955.db2.gz KDGLHPMFOIDUER-UHFFFAOYSA-N 1 1 303.793 3.169 10 30 DGEEMO O[C@]12CCCC[C@@H]1C[N@@H+](CC#Cc1cccc(Cl)c1)CC2 ZINC000157185404 275060615 /nfs/dbraw/zinc/06/06/15/275060615.db2.gz YDGKDRVOZGEVNR-AEFFLSMTSA-N 1 1 303.833 3.319 10 30 DGEEMO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245618539 275379189 /nfs/dbraw/zinc/37/91/89/275379189.db2.gz WBAHMLMNCPYWAB-SJLPKXTDSA-N 1 1 318.848 3.395 10 30 DGEEMO C#CCCCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245618539 275379190 /nfs/dbraw/zinc/37/91/90/275379190.db2.gz WBAHMLMNCPYWAB-SJLPKXTDSA-N 1 1 318.848 3.395 10 30 DGEEMO CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000120044917 276354602 /nfs/dbraw/zinc/35/46/02/276354602.db2.gz LFVDSNNJIUWXDY-OAHLLOKOSA-N 1 1 307.397 3.407 10 30 DGEEMO C=CCCC[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000076736933 431562667 /nfs/dbraw/zinc/56/26/67/431562667.db2.gz BTEDNCQVGGSPJC-UHFFFAOYSA-N 1 1 305.378 3.130 10 30 DGEEMO C=CCOc1cccc(C[N@@H+]2CCC[C@H]2C(=O)N(CC)CC)c1 ZINC000120178700 431725513 /nfs/dbraw/zinc/72/55/13/431725513.db2.gz JBXJBGCZTPUTLH-SFHVURJKSA-N 1 1 316.445 3.084 10 30 DGEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc(C#N)cc2C)C1 ZINC000121164832 431747534 /nfs/dbraw/zinc/74/75/34/431747534.db2.gz FXUUDRMCUIENJU-INIZCTEOSA-N 1 1 322.412 3.103 10 30 DGEEMO C=CCc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(OC)c1O ZINC000093644159 431915147 /nfs/dbraw/zinc/91/51/47/431915147.db2.gz DERIMUBUZXWLKP-PBHICJAKSA-N 1 1 318.461 3.044 10 30 DGEEMO C=CCc1cc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc(OC)c1O ZINC000093644159 431915149 /nfs/dbraw/zinc/91/51/49/431915149.db2.gz DERIMUBUZXWLKP-PBHICJAKSA-N 1 1 318.461 3.044 10 30 DGEEMO C=CCc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc(OC)c1O ZINC000093644159 431915151 /nfs/dbraw/zinc/91/51/51/431915151.db2.gz DERIMUBUZXWLKP-PBHICJAKSA-N 1 1 318.461 3.044 10 30 DGEEMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000093644456 431915941 /nfs/dbraw/zinc/91/59/41/431915941.db2.gz GHTAHDKHWUOSEB-DOTOQJQBSA-N 1 1 318.461 3.175 10 30 DGEEMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000093644456 431915942 /nfs/dbraw/zinc/91/59/42/431915942.db2.gz GHTAHDKHWUOSEB-DOTOQJQBSA-N 1 1 318.461 3.175 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000093644456 431915943 /nfs/dbraw/zinc/91/59/43/431915943.db2.gz GHTAHDKHWUOSEB-DOTOQJQBSA-N 1 1 318.461 3.175 10 30 DGEEMO C#CCCOc1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000093691329 431916822 /nfs/dbraw/zinc/91/68/22/431916822.db2.gz JXTUMMSSLWAVRQ-FQEVSTJZSA-N 1 1 322.408 3.137 10 30 DGEEMO N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2c2nccs2)cc1 ZINC000127340389 431969695 /nfs/dbraw/zinc/96/96/95/431969695.db2.gz GPOTXNHQENVQQP-HZPDHXFCSA-N 1 1 313.426 3.275 10 30 DGEEMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2c2nccs2)cc1 ZINC000127340389 431969699 /nfs/dbraw/zinc/96/96/99/431969699.db2.gz GPOTXNHQENVQQP-HZPDHXFCSA-N 1 1 313.426 3.275 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000128353563 431992246 /nfs/dbraw/zinc/99/22/46/431992246.db2.gz BKYTWFNTZPIRDG-WMZOPIPTSA-N 1 1 315.461 3.115 10 30 DGEEMO COc1cc(C[N@@H+](CC#Cc2ccccc2)C2CC2)ccc1O ZINC000192135128 432335112 /nfs/dbraw/zinc/33/51/12/432335112.db2.gz JACWJYKLRGOMNQ-UHFFFAOYSA-N 1 1 307.393 3.417 10 30 DGEEMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C#N)cc1C ZINC000249146244 432341350 /nfs/dbraw/zinc/34/13/50/432341350.db2.gz UDRGYVRDUXZGDJ-NJAFHUGGSA-N 1 1 312.413 3.173 10 30 DGEEMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000249157249 432341516 /nfs/dbraw/zinc/34/15/16/432341516.db2.gz YZRWVPUDPZFSCZ-GDBMZVCRSA-N 1 1 314.429 3.119 10 30 DGEEMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000249402953 432347122 /nfs/dbraw/zinc/34/71/22/432347122.db2.gz VOLFHEDFIKMSTH-XJKSGUPXSA-N 1 1 300.402 3.283 10 30 DGEEMO CC(C)C[C@H](CO)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000185341424 432492296 /nfs/dbraw/zinc/49/22/96/432492296.db2.gz DKVDCGJVBGKFMS-MRXNPFEDSA-N 1 1 313.363 3.396 10 30 DGEEMO C=CCCCCC[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000193337582 432466094 /nfs/dbraw/zinc/46/60/94/432466094.db2.gz WUZYDDJHFCGAHC-UHFFFAOYSA-N 1 1 318.465 3.201 10 30 DGEEMO N#Cc1ccc([C@@H](O)C[N@H+]2Cc3ccccc3C3(CC3)C2)cc1 ZINC000186151214 432563530 /nfs/dbraw/zinc/56/35/30/432563530.db2.gz VYBBNBGYGXUGBV-IBGZPJMESA-N 1 1 304.393 3.139 10 30 DGEEMO C[C@H]1CCC[N@H+]1C1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000154936678 432530650 /nfs/dbraw/zinc/53/06/50/432530650.db2.gz CETDCGWNHZXOEA-LBPRGKRZSA-N 1 1 305.372 3.290 10 30 DGEEMO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000186260277 432574807 /nfs/dbraw/zinc/57/48/07/432574807.db2.gz BRLGOCUMOTZVPH-LJQANCHMSA-N 1 1 308.381 3.146 10 30 DGEEMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000186260277 432574810 /nfs/dbraw/zinc/57/48/10/432574810.db2.gz BRLGOCUMOTZVPH-LJQANCHMSA-N 1 1 308.381 3.146 10 30 DGEEMO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2C)CCN1CC(F)F ZINC000186316002 432581503 /nfs/dbraw/zinc/58/15/03/432581503.db2.gz ZPJCKMNLKBKMTI-INIZCTEOSA-N 1 1 307.388 3.028 10 30 DGEEMO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C)CCN1CC(F)F ZINC000186316002 432581508 /nfs/dbraw/zinc/58/15/08/432581508.db2.gz ZPJCKMNLKBKMTI-INIZCTEOSA-N 1 1 307.388 3.028 10 30 DGEEMO C[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccccc1 ZINC000245771710 432862495 /nfs/dbraw/zinc/86/24/95/432862495.db2.gz RZETZFFNIBOVJR-IFXJQAMLSA-N 1 1 302.381 3.399 10 30 DGEEMO C[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccccc1 ZINC000245771710 432862498 /nfs/dbraw/zinc/86/24/98/432862498.db2.gz RZETZFFNIBOVJR-IFXJQAMLSA-N 1 1 302.381 3.399 10 30 DGEEMO C[N@H+]1CCC[C@@H]2CN(CC#Cc3cccc(Cl)c3)CC[C@H]21 ZINC000245902209 432869137 /nfs/dbraw/zinc/86/91/37/432869137.db2.gz BHERZXDNKYHVEK-SJLPKXTDSA-N 1 1 302.849 3.108 10 30 DGEEMO C=C(CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000288131264 432888104 /nfs/dbraw/zinc/88/81/04/432888104.db2.gz XJWUCSGRYURUSY-FUHWJXTLSA-N 1 1 315.461 3.072 10 30 DGEEMO CN(CCC#N)c1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000245536402 432839779 /nfs/dbraw/zinc/83/97/79/432839779.db2.gz HXPJIAAJNGKBGO-RTBURBONSA-N 1 1 313.445 3.180 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000245614675 432850504 /nfs/dbraw/zinc/85/05/04/432850504.db2.gz CNXZWJQYWFVOFF-DLBZAZTESA-N 1 1 301.434 3.039 10 30 DGEEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245700055 432856495 /nfs/dbraw/zinc/85/64/95/432856495.db2.gz CXNAKRDECKAQOZ-QAPCUYQASA-N 1 1 324.428 3.147 10 30 DGEEMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000361267512 433073540 /nfs/dbraw/zinc/07/35/40/433073540.db2.gz RVDXMEKMBPABCS-CQSZACIVSA-N 1 1 312.417 3.302 10 30 DGEEMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000298331884 433096481 /nfs/dbraw/zinc/09/64/81/433096481.db2.gz ZIGJBIVPDPETQC-CXAGYDPISA-N 1 1 321.852 3.387 10 30 DGEEMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000298331884 433096491 /nfs/dbraw/zinc/09/64/91/433096491.db2.gz ZIGJBIVPDPETQC-CXAGYDPISA-N 1 1 321.852 3.387 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](C(C)C)[C@H]2CCOC2)cc1OC ZINC000291366433 433232559 /nfs/dbraw/zinc/23/25/59/433232559.db2.gz YYCAUFMLFQPAKB-INIZCTEOSA-N 1 1 305.418 3.259 10 30 DGEEMO C=CC[N@H+](CCOC)Cc1ccc(Br)c(F)c1 ZINC000361634876 433306341 /nfs/dbraw/zinc/30/63/41/433306341.db2.gz CLOMESZZYQSYMQ-UHFFFAOYSA-N 1 1 302.187 3.223 10 30 DGEEMO C=CCCCNC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000447982023 433336261 /nfs/dbraw/zinc/33/62/61/433336261.db2.gz IASDKPWCCZKNGR-UHFFFAOYSA-N 1 1 315.461 3.089 10 30 DGEEMO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c(OC(F)F)c1 ZINC000341983063 433396351 /nfs/dbraw/zinc/39/63/51/433396351.db2.gz DWMLMOXQGOYBKA-KRWDZBQOSA-N 1 1 322.355 3.162 10 30 DGEEMO C=CCOc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000355209774 433538059 /nfs/dbraw/zinc/53/80/59/433538059.db2.gz KENZSAUTGJSPCP-PKOBYXMFSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCOc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000355209774 433538068 /nfs/dbraw/zinc/53/80/68/433538068.db2.gz KENZSAUTGJSPCP-PKOBYXMFSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCn1c(C)cc(C(=O)C[N@@H+](C[C@@H](C)OC)C(C)C)c1C ZINC000362255341 433605990 /nfs/dbraw/zinc/60/59/90/433605990.db2.gz XCYGAUYBMPLHFO-OAHLLOKOSA-N 1 1 306.450 3.219 10 30 DGEEMO C=CCn1c(C)cc(C(=O)C[N@H+](C[C@@H](C)OC)C(C)C)c1C ZINC000362255341 433605998 /nfs/dbraw/zinc/60/59/98/433605998.db2.gz XCYGAUYBMPLHFO-OAHLLOKOSA-N 1 1 306.450 3.219 10 30 DGEEMO Cc1cc(NCCCC[N@@H+]2CCC[C@@H](C)C2)c(C#N)c(C)n1 ZINC000301793037 433727299 /nfs/dbraw/zinc/72/72/99/433727299.db2.gz RONKFZZPEUZZDP-CQSZACIVSA-N 1 1 300.450 3.494 10 30 DGEEMO CC#CCCCC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000376953410 433841068 /nfs/dbraw/zinc/84/10/68/433841068.db2.gz FNTHFGFABZPXDJ-GOSISDBHSA-N 1 1 312.457 3.303 10 30 DGEEMO Cc1nc(C(C)C)oc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000328835563 434318704 /nfs/dbraw/zinc/31/87/04/434318704.db2.gz MKUQCFGCQGZZFO-AGUYFDCRSA-N 1 1 305.422 3.426 10 30 DGEEMO C#CCCC[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000287404055 434354497 /nfs/dbraw/zinc/35/44/97/434354497.db2.gz OEMCNSIBUJGFJN-NSHDSACASA-N 1 1 301.312 3.115 10 30 DGEEMO C=CC(C)(C)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000450788179 434406816 /nfs/dbraw/zinc/40/68/16/434406816.db2.gz CVHYJTCBYCXSCP-LJQANCHMSA-N 1 1 300.446 3.370 10 30 DGEEMO CCc1nnc(C)cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000329543164 434428135 /nfs/dbraw/zinc/42/81/35/434428135.db2.gz YDPIBXPULSPSEH-QZTJIDSGSA-N 1 1 324.428 3.097 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cc1OC ZINC000438373239 434472582 /nfs/dbraw/zinc/47/25/82/434472582.db2.gz JFPLIJSCLPZURD-RRFJBIMHSA-N 1 1 305.418 3.258 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cc1OC ZINC000438373239 434472588 /nfs/dbraw/zinc/47/25/88/434472588.db2.gz JFPLIJSCLPZURD-RRFJBIMHSA-N 1 1 305.418 3.258 10 30 DGEEMO C#Cc1ccc(C[NH2+][C@@H](C)c2cn(-c3ccccc3)nn2)cc1 ZINC000367355273 434546806 /nfs/dbraw/zinc/54/68/06/434546806.db2.gz BCGJSAMKMPLKJL-HNNXBMFYSA-N 1 1 302.381 3.099 10 30 DGEEMO C=CCN1CC[C@H]([N@H+](C)[C@H](Cc2ccc(F)cc2)C(C)C)C1=O ZINC000410382867 434644680 /nfs/dbraw/zinc/64/46/80/434644680.db2.gz BSPUGXHXIOPOMH-ZWKOTPCHSA-N 1 1 318.436 3.112 10 30 DGEEMO C=CCN1CC[C@@H]([N@H+](C)[C@@H](c2ccccc2C)C(C)C)C1=O ZINC000410394064 434646005 /nfs/dbraw/zinc/64/60/05/434646005.db2.gz TZPPBDMUKKUOPA-QZTJIDSGSA-N 1 1 300.446 3.411 10 30 DGEEMO C=CCC1(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)CCOCC1 ZINC000424612022 434759582 /nfs/dbraw/zinc/75/95/82/434759582.db2.gz DYNVBVWBYCKXJS-UHFFFAOYSA-N 1 1 322.493 3.082 10 30 DGEEMO C=CCNC(=O)C[N@H+]1CC=C(c2ccc(Cl)cc2C)CC1 ZINC000528740938 435027967 /nfs/dbraw/zinc/02/79/67/435027967.db2.gz JTXJEWQGHBLAET-UHFFFAOYSA-N 1 1 304.821 3.040 10 30 DGEEMO C=CCNC(=O)C[N@@H+]1CC=C(c2ccc(Cl)cc2C)CC1 ZINC000528740938 435027972 /nfs/dbraw/zinc/02/79/72/435027972.db2.gz JTXJEWQGHBLAET-UHFFFAOYSA-N 1 1 304.821 3.040 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000575896293 435053006 /nfs/dbraw/zinc/05/30/06/435053006.db2.gz JFJYOTCEGZIDPE-AEFFLSMTSA-N 1 1 315.461 3.257 10 30 DGEEMO C=C(C)[C@@H](CC(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1)OCC ZINC000580655677 435237098 /nfs/dbraw/zinc/23/70/98/435237098.db2.gz FGGYATRVFCYTOO-QGZVFWFLSA-N 1 1 322.493 3.152 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000564718823 435273782 /nfs/dbraw/zinc/27/37/82/435273782.db2.gz PHNRBHZZDLXXCP-LJQANCHMSA-N 1 1 311.425 3.287 10 30 DGEEMO C=CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000535809804 435357332 /nfs/dbraw/zinc/35/73/32/435357332.db2.gz JDMPARIFEJYGAV-ZWKOTPCHSA-N 1 1 301.430 3.500 10 30 DGEEMO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000512649775 435363905 /nfs/dbraw/zinc/36/39/05/435363905.db2.gz UHAJIBHSBDAYLM-CQSZACIVSA-N 1 1 301.409 3.388 10 30 DGEEMO C=CCCC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000537186140 435427934 /nfs/dbraw/zinc/42/79/34/435427934.db2.gz IZFHEIHEYQHDHY-SZMVWBNQSA-N 1 1 315.461 3.476 10 30 DGEEMO C=C(C)COCC[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000541743527 435642846 /nfs/dbraw/zinc/64/28/46/435642846.db2.gz SFUIOVSTUJYKTF-QGZVFWFLSA-N 1 1 319.836 3.345 10 30 DGEEMO C[C@H]1C[C@@H](CCNc2ccncc2C#N)C[N@H+]1Cc1ccccc1 ZINC000548162447 435674302 /nfs/dbraw/zinc/67/43/02/435674302.db2.gz DUNRVGSTELGRNS-FUHWJXTLSA-N 1 1 320.440 3.088 10 30 DGEEMO C[N@H+]1CCC[C@H](CNC[C@H](C#N)CCC#N)[C@H]1c1cccs1 ZINC000572831303 435874475 /nfs/dbraw/zinc/87/44/75/435874475.db2.gz JTQLDOZUMWLVHH-UXLLHSPISA-N 1 1 316.474 3.164 10 30 DGEEMO C=C(C)[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(F)c(F)c1 ZINC000580209561 333009796 /nfs/dbraw/zinc/00/97/96/333009796.db2.gz BFBLFURFSAFLHF-YVEFUNNKSA-N 1 1 308.372 3.040 10 30 DGEEMO CCOC(=O)c1ccc(/C=[NH+]/CCC2(O)CCCCC2)cc1 ZINC000584598224 337374602 /nfs/dbraw/zinc/37/46/02/337374602.db2.gz FUAWHCMZCUCZGI-XMHGGMMESA-N 1 1 303.402 3.368 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N1CC[NH2+][C@H](c2ccc(CC)cc2)C1 ZINC000505470100 340169166 /nfs/dbraw/zinc/16/91/66/340169166.db2.gz XMMWNBQOHLWPOI-YJBOKZPZSA-N 1 1 300.446 3.324 10 30 DGEEMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000174879753 340398184 /nfs/dbraw/zinc/39/81/84/340398184.db2.gz IZTAPUDQIXELML-AWEZNQCLSA-N 1 1 309.454 3.305 10 30 DGEEMO O[C@]12CCCC[C@H]1C[N@@H+](CC#Cc1cccc(Cl)c1)CC2 ZINC000245980123 341320916 /nfs/dbraw/zinc/32/09/16/341320916.db2.gz YDGKDRVOZGEVNR-WMZOPIPTSA-N 1 1 303.833 3.319 10 30 DGEEMO N#CCSCCC[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000174137260 534707251 /nfs/dbraw/zinc/70/72/51/534707251.db2.gz CWWNWEJWNGFZGR-UHFFFAOYSA-N 1 1 303.406 3.312 10 30 DGEEMO N#CCSCCC[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000174137260 534707254 /nfs/dbraw/zinc/70/72/54/534707254.db2.gz CWWNWEJWNGFZGR-UHFFFAOYSA-N 1 1 303.406 3.312 10 30 DGEEMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCO[C@H](C)C1 ZINC000352691738 526350129 /nfs/dbraw/zinc/35/01/29/526350129.db2.gz NDXZSUOLZPZXQE-ZBFHGGJFSA-N 1 1 304.390 3.398 10 30 DGEEMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H](O)C1CCCCC1 ZINC000352816590 526559725 /nfs/dbraw/zinc/55/97/25/526559725.db2.gz PLTPCEADMQPCKW-SFHVURJKSA-N 1 1 307.434 3.091 10 30 DGEEMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127737903 526633099 /nfs/dbraw/zinc/63/30/99/526633099.db2.gz RTVQBKQHTQTRDY-KBPBESRZSA-N 1 1 321.490 3.137 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000185094377 526697686 /nfs/dbraw/zinc/69/76/86/526697686.db2.gz JUTKQNGRIVIZQF-MRXNPFEDSA-N 1 1 300.446 3.153 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000185887591 526698168 /nfs/dbraw/zinc/69/81/68/526698168.db2.gz FNZUJERRRPVDRR-OAHLLOKOSA-N 1 1 301.434 3.077 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000185093582 526699968 /nfs/dbraw/zinc/69/99/68/526699968.db2.gz PNIANSCLRWQTEY-KGLIPLIRSA-N 1 1 306.475 3.213 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000185093582 526699973 /nfs/dbraw/zinc/69/99/73/526699973.db2.gz PNIANSCLRWQTEY-KGLIPLIRSA-N 1 1 306.475 3.213 10 30 DGEEMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000357960310 526764127 /nfs/dbraw/zinc/76/41/27/526764127.db2.gz DNGQGESVRZWBGJ-HOCLYGCPSA-N 1 1 322.836 3.321 10 30 DGEEMO C=CCOc1ccc(C[N@H+](C)C2CCC(NC(C)=O)CC2)cc1 ZINC000346262829 526862174 /nfs/dbraw/zinc/86/21/74/526862174.db2.gz CJBLZOZCXOYVJC-UHFFFAOYSA-N 1 1 316.445 3.131 10 30 DGEEMO C=CCOc1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415038510 526866116 /nfs/dbraw/zinc/86/61/16/526866116.db2.gz HVXNTYLCAIMRLS-MJGOQNOKSA-N 1 1 300.446 3.215 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000355190484 526868501 /nfs/dbraw/zinc/86/85/01/526868501.db2.gz YQJWCBWIBNMAPU-MRXNPFEDSA-N 1 1 312.417 3.058 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)cc1 ZINC000355190484 526868504 /nfs/dbraw/zinc/86/85/04/526868504.db2.gz YQJWCBWIBNMAPU-MRXNPFEDSA-N 1 1 312.417 3.058 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)cc1 ZINC000355190484 526868507 /nfs/dbraw/zinc/86/85/07/526868507.db2.gz YQJWCBWIBNMAPU-MRXNPFEDSA-N 1 1 312.417 3.058 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000355190484 526868510 /nfs/dbraw/zinc/86/85/10/526868510.db2.gz YQJWCBWIBNMAPU-MRXNPFEDSA-N 1 1 312.417 3.058 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000355190484 526868512 /nfs/dbraw/zinc/86/85/12/526868512.db2.gz YQJWCBWIBNMAPU-MRXNPFEDSA-N 1 1 312.417 3.058 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)cc1 ZINC000355644867 526874249 /nfs/dbraw/zinc/87/42/49/526874249.db2.gz BJRXYZYNDSRFOQ-LJQANCHMSA-N 1 1 317.429 3.021 10 30 DGEEMO C=CCOc1cccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000180124561 526899921 /nfs/dbraw/zinc/89/99/21/526899921.db2.gz ODJZXLXLSIBHLE-SFHVURJKSA-N 1 1 311.429 3.421 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000349199089 526930948 /nfs/dbraw/zinc/93/09/48/526930948.db2.gz YCBDKJDVSKTDRS-UHFFFAOYSA-N 1 1 310.388 3.024 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000430154169 526934059 /nfs/dbraw/zinc/93/40/59/526934059.db2.gz WQTGYGGADVRTFO-GOSISDBHSA-N 1 1 301.430 3.500 10 30 DGEEMO C=CCCC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000183251369 527076972 /nfs/dbraw/zinc/07/69/72/527076972.db2.gz ZEMCSMQXJQJIBL-MJGOQNOKSA-N 1 1 314.429 3.055 10 30 DGEEMO C=CCCCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000351639585 527160842 /nfs/dbraw/zinc/16/08/42/527160842.db2.gz QJJWVOCARZNDRY-DLBZAZTESA-N 1 1 301.434 3.087 10 30 DGEEMO C=CCCC[C@H](C)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000181414321 527286662 /nfs/dbraw/zinc/28/66/62/527286662.db2.gz SMEZBBPUHTYKOK-HOCLYGCPSA-N 1 1 304.438 3.110 10 30 DGEEMO C=CCn1c([C@H](C)CC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000351078907 527356240 /nfs/dbraw/zinc/35/62/40/527356240.db2.gz ZKRAFKCNQIGFTO-PMPSAXMXSA-N 1 1 319.497 3.144 10 30 DGEEMO C#Cc1cccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3CC)C2)c1 ZINC000133189381 527454556 /nfs/dbraw/zinc/45/45/56/527454556.db2.gz NMAUUUDKIAAOIB-KRWDZBQOSA-N 1 1 322.412 3.296 10 30 DGEEMO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000347305538 527489324 /nfs/dbraw/zinc/48/93/24/527489324.db2.gz LUAYGKCBXYCSOQ-LSDHHAIUSA-N 1 1 305.422 3.191 10 30 DGEEMO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000347305538 527489333 /nfs/dbraw/zinc/48/93/33/527489333.db2.gz LUAYGKCBXYCSOQ-LSDHHAIUSA-N 1 1 305.422 3.191 10 30 DGEEMO C=CCN(C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000428282280 527568267 /nfs/dbraw/zinc/56/82/67/527568267.db2.gz PDXQPCVEPZBYLD-OAHLLOKOSA-N 1 1 301.434 3.138 10 30 DGEEMO C=C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000135654848 527572230 /nfs/dbraw/zinc/57/22/30/527572230.db2.gz AYEBZEPXHQIAJQ-NUJGCVRESA-N 1 1 300.446 3.287 10 30 DGEEMO CCC[C@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000444786682 528488692 /nfs/dbraw/zinc/48/86/92/528488692.db2.gz OMKSJLXPJDFRKI-GOSISDBHSA-N 1 1 300.402 3.256 10 30 DGEEMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000444786682 528488694 /nfs/dbraw/zinc/48/86/94/528488694.db2.gz OMKSJLXPJDFRKI-GOSISDBHSA-N 1 1 300.402 3.256 10 30 DGEEMO CC[C@@H](C#N)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000174442903 529266736 /nfs/dbraw/zinc/26/67/36/529266736.db2.gz KPOPBEFVXUKNNH-IBGZPJMESA-N 1 1 321.424 3.107 10 30 DGEEMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)COc1ccc(C)cc1 ZINC000248019217 546313607 /nfs/dbraw/zinc/31/36/07/546313607.db2.gz LSDVPVBDXIJRQV-MRXNPFEDSA-N 1 1 317.454 3.484 10 30 DGEEMO C=CC[N@@H+](CC[C@@H](CC)CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000437692464 546826198 /nfs/dbraw/zinc/82/61/98/546826198.db2.gz OPCMNXCFYSQDLF-HOTGVXAUSA-N 1 1 301.496 3.268 10 30 DGEEMO C=CC[N@H+](CC[C@@H](CC)CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000437692464 546826205 /nfs/dbraw/zinc/82/62/05/546826205.db2.gz OPCMNXCFYSQDLF-HOTGVXAUSA-N 1 1 301.496 3.268 10 30 DGEEMO CC(C)OCCC[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000740880944 574944692 /nfs/dbraw/zinc/94/46/92/574944692.db2.gz GYTPZYVPFJFHPH-UHFFFAOYSA-N 1 1 310.825 3.489 10 30 DGEEMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc(CSCC)cc1 ZINC000729812158 575263642 /nfs/dbraw/zinc/26/36/42/575263642.db2.gz NLVRTNCGFFKQLT-QGZVFWFLSA-N 1 1 317.454 3.194 10 30 DGEEMO C=CCSc1nc2ccccc2n1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000738061014 576076816 /nfs/dbraw/zinc/07/68/16/576076816.db2.gz JLCYHXSEDVYPLB-AWEZNQCLSA-N 1 1 317.458 3.383 10 30 DGEEMO CC(C)Oc1ccc(NC(=[NH2+])NCCN2CCCC[C@H]2C)cc1 ZINC000303910380 657578216 /nfs/dbraw/zinc/57/82/16/657578216.db2.gz YUWAJWKIIWVUNT-OAHLLOKOSA-N 1 1 318.465 3.075 10 30 DGEEMO C#CC[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)C1CCCC1 ZINC000155910147 658860364 /nfs/dbraw/zinc/86/03/64/658860364.db2.gz DLCIYNRLFNWCAR-UHFFFAOYSA-N 1 1 308.784 3.295 10 30 DGEEMO C#CC[N@H+](CC(=O)Nc1ccc(F)cc1Cl)C1CCCC1 ZINC000155910147 658860367 /nfs/dbraw/zinc/86/03/67/658860367.db2.gz DLCIYNRLFNWCAR-UHFFFAOYSA-N 1 1 308.784 3.295 10 30 DGEEMO C#CC[NH+](CC#C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000174527680 659438284 /nfs/dbraw/zinc/43/82/84/659438284.db2.gz JCCNXDVOKPACRG-UHFFFAOYSA-N 1 1 302.377 3.007 10 30 DGEEMO CC[C@@H](C#N)C(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000719960390 662299827 /nfs/dbraw/zinc/29/98/27/662299827.db2.gz VZQZHBBUUCUJFR-ROUUACIJSA-N 1 1 313.445 3.049 10 30 DGEEMO C#CC[N@H+](Cc1cc(OC)c(OCC)c(OC)c1)C1CCCC1 ZINC000093819828 662360430 /nfs/dbraw/zinc/36/04/30/662360430.db2.gz CNTUWCMWOZRIHK-UHFFFAOYSA-N 1 1 317.429 3.480 10 30 DGEEMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC#Cc1ccccc1 ZINC000389859730 685197092 /nfs/dbraw/zinc/19/70/92/685197092.db2.gz FWOUREALCBAIKV-GHTZIAJQSA-N 1 1 304.437 3.148 10 30 DGEEMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC#Cc1ccccc1 ZINC000389859730 685197095 /nfs/dbraw/zinc/19/70/95/685197095.db2.gz FWOUREALCBAIKV-GHTZIAJQSA-N 1 1 304.437 3.148 10 30 DGEEMO N#C[C@H]1CC[C@H]([NH+]2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)C1 ZINC000328740331 1176646277 /nfs/dbraw/zinc/64/62/77/1176646277.db2.gz IJCUXGKOTBIVHA-JQWIXIFHSA-N 1 1 312.339 3.300 10 30 DGEEMO CC[N@H+]1CCC[C@H](Nc2ccc(C#N)c(Br)c2)C1 ZINC000228181054 1177033788 /nfs/dbraw/zinc/03/37/88/1177033788.db2.gz NVJSNCXKTLALRY-ZDUSSCGKSA-N 1 1 308.223 3.217 10 30 DGEEMO C#C[C@](C)(CC)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000384224502 1177093219 /nfs/dbraw/zinc/09/32/19/1177093219.db2.gz UOVVBLXQWUMIKF-CQSZACIVSA-N 1 1 310.191 3.069 10 30 DGEEMO N#Cc1cccc(OCCC[N@H+]2CCC=C(Br)C2)c1 ZINC000404486797 1094259260 /nfs/dbraw/zinc/25/92/60/1094259260.db2.gz XJINCBJVFUSZLQ-UHFFFAOYSA-N 1 1 321.218 3.312 10 30 DGEEMO N#Cc1cccc(OCCC[N@@H+]2CCC=C(Br)C2)c1 ZINC000404486797 1094259266 /nfs/dbraw/zinc/25/92/66/1094259266.db2.gz XJINCBJVFUSZLQ-UHFFFAOYSA-N 1 1 321.218 3.312 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278453237 214162666 /nfs/dbraw/zinc/16/26/66/214162666.db2.gz XHDUENHVEHZXND-CQSZACIVSA-N 1 1 302.418 3.362 10 30 DGEEMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000131863864 432041269 /nfs/dbraw/zinc/04/12/69/432041269.db2.gz YYHHSDAXIXILPA-KBXCAEBGSA-N 1 1 310.401 3.048 10 30 DGEEMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(OC)cc1 ZINC000179327656 432054249 /nfs/dbraw/zinc/05/42/49/432054249.db2.gz XGKVUENZSJRERY-UHFFFAOYSA-N 1 1 320.396 3.237 10 30 DGEEMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000187703692 200147234 /nfs/dbraw/zinc/14/72/34/200147234.db2.gz VOLFHEDFIKMSTH-CJNGLKHVSA-N 1 1 300.402 3.283 10 30 DGEEMO C#CCCCCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000180515607 432089146 /nfs/dbraw/zinc/08/91/46/432089146.db2.gz WBAHMLMNCPYWAB-WMZOPIPTSA-N 1 1 318.848 3.395 10 30 DGEEMO C#CCCCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000180515607 432089148 /nfs/dbraw/zinc/08/91/48/432089148.db2.gz WBAHMLMNCPYWAB-WMZOPIPTSA-N 1 1 318.848 3.395 10 30 DGEEMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc2cccnc2o1 ZINC000449321826 240129512 /nfs/dbraw/zinc/12/95/12/240129512.db2.gz NJFFJHBIWDWLGB-UHFFFAOYSA-N 1 1 312.369 3.491 10 30 DGEEMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc2cccnc2o1 ZINC000449321826 240129516 /nfs/dbraw/zinc/12/95/16/240129516.db2.gz NJFFJHBIWDWLGB-UHFFFAOYSA-N 1 1 312.369 3.491 10 30 DGEEMO C=CCOc1ccc(C[NH2+]Cc2cnc(CCC)o2)cc1OC ZINC000449614261 240317935 /nfs/dbraw/zinc/31/79/35/240317935.db2.gz VEGRYLLZSBXZCP-UHFFFAOYSA-N 1 1 316.401 3.490 10 30 DGEEMO N#CCCOCC[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000451563714 241175735 /nfs/dbraw/zinc/17/57/35/241175735.db2.gz FFPLCVNGFRYNMB-AWEZNQCLSA-N 1 1 323.234 3.169 10 30 DGEEMO N#Cc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)o1 ZINC000092093045 193155920 /nfs/dbraw/zinc/15/59/20/193155920.db2.gz TXUZZDBFEHIJEC-UHFFFAOYSA-N 1 1 318.323 3.473 10 30 DGEEMO C=CCC[C@H](O)C[N@H+](CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000472763475 244315410 /nfs/dbraw/zinc/31/54/10/244315410.db2.gz ARHLQLBOPXTQBQ-HOJAQTOUSA-N 1 1 316.489 3.471 10 30 DGEEMO C=CCC[C@H](O)CN(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000472763475 244315414 /nfs/dbraw/zinc/31/54/14/244315414.db2.gz ARHLQLBOPXTQBQ-HOJAQTOUSA-N 1 1 316.489 3.471 10 30 DGEEMO C=CCC[C@H](O)CN(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000472763475 244315416 /nfs/dbraw/zinc/31/54/16/244315416.db2.gz ARHLQLBOPXTQBQ-HOJAQTOUSA-N 1 1 316.489 3.471 10 30 DGEEMO Cc1cc(C#N)ccc1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000159955710 197376124 /nfs/dbraw/zinc/37/61/24/197376124.db2.gz GRGMSKGHIOFFDA-UHFFFAOYSA-N 1 1 321.424 3.119 10 30 DGEEMO Cc1oc(NC(=O)C[N@H+]2CC[C@H](C)C[C@@H](C)C2)c(C#N)c1C ZINC000246617834 432148557 /nfs/dbraw/zinc/14/85/57/432148557.db2.gz IEJDNIPMDCCHEZ-NWDGAFQWSA-N 1 1 303.406 3.075 10 30 DGEEMO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](C)C[C@@H](C)C2)c(C#N)c1C ZINC000246617834 432148562 /nfs/dbraw/zinc/14/85/62/432148562.db2.gz IEJDNIPMDCCHEZ-NWDGAFQWSA-N 1 1 303.406 3.075 10 30 DGEEMO C[C@@]1(CNc2cc(C#N)ccn2)CCC[N@H+]1Cc1ccccc1 ZINC000343026287 254088435 /nfs/dbraw/zinc/08/84/35/254088435.db2.gz NCJNSHHFCOVBOP-IBGZPJMESA-N 1 1 306.413 3.420 10 30 DGEEMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000120766379 195233498 /nfs/dbraw/zinc/23/34/98/195233498.db2.gz ONHSBZVMRLNXAC-HNNXBMFYSA-N 1 1 313.426 3.403 10 30 DGEEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@H]1c1ccccc1C#N ZINC000616610526 400185367 /nfs/dbraw/zinc/18/53/67/400185367.db2.gz SEERXZSINJMGPH-INIZCTEOSA-N 1 1 315.417 3.220 10 30 DGEEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H]1c1ccccc1C#N ZINC000616610526 400185371 /nfs/dbraw/zinc/18/53/71/400185371.db2.gz SEERXZSINJMGPH-INIZCTEOSA-N 1 1 315.417 3.220 10 30 DGEEMO N#Cc1ncccc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000310258774 400133799 /nfs/dbraw/zinc/13/37/99/400133799.db2.gz PYWJMASMGWODBF-KZNAEPCWSA-N 1 1 318.424 3.276 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000091832684 400139392 /nfs/dbraw/zinc/13/93/92/400139392.db2.gz PSXOBCTUVMPXKL-INIZCTEOSA-N 1 1 313.401 3.322 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000091832683 400139521 /nfs/dbraw/zinc/13/95/21/400139521.db2.gz PSXOBCTUVMPXKL-MRXNPFEDSA-N 1 1 313.401 3.322 10 30 DGEEMO C=CC[C@H]1CCCC[C@@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000617042872 400291225 /nfs/dbraw/zinc/29/12/25/400291225.db2.gz WMKINIMSPQAGJH-GJZGRUSLSA-N 1 1 301.434 3.013 10 30 DGEEMO C=CCCC1(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)CCCC1 ZINC000617417333 400385666 /nfs/dbraw/zinc/38/56/66/400385666.db2.gz VAQAEHOGYGSDAV-OAHLLOKOSA-N 1 1 310.507 3.067 10 30 DGEEMO C=CC[N@@H+](Cc1cc(C(=O)OC)c(C)[nH]1)Cc1cccc(C#N)c1 ZINC000602454553 400466997 /nfs/dbraw/zinc/46/69/97/400466997.db2.gz NKYLEWGAGCVIOH-UHFFFAOYSA-N 1 1 323.396 3.170 10 30 DGEEMO C=CC[N@H+](Cc1cc(C(=O)OC)c(C)[nH]1)Cc1cccc(C#N)c1 ZINC000602454553 400467001 /nfs/dbraw/zinc/46/70/01/400467001.db2.gz NKYLEWGAGCVIOH-UHFFFAOYSA-N 1 1 323.396 3.170 10 30 DGEEMO C=CCOc1ccc(C[NH2+]Cc2cn3cccc(C)c3n2)cc1 ZINC000123990087 400473742 /nfs/dbraw/zinc/47/37/42/400473742.db2.gz UYZJPOOTPRHYQI-UHFFFAOYSA-N 1 1 307.397 3.497 10 30 DGEEMO C=C(C)[C@H]([NH2+]C)c1ncc(Br)cc1Br ZINC000133305793 400569564 /nfs/dbraw/zinc/56/95/64/400569564.db2.gz ADIOECHATCHLFA-VIFPVBQESA-N 1 1 320.028 3.443 10 30 DGEEMO C=CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131331 400611363 /nfs/dbraw/zinc/61/13/63/400611363.db2.gz YCGVUHALFXCFML-WKILWMFISA-N 1 1 304.390 3.276 10 30 DGEEMO C=CCCCN(C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000076951613 400681681 /nfs/dbraw/zinc/68/16/81/400681681.db2.gz LUBMLGPNWHGNEK-CALCHBBNSA-N 1 1 309.498 3.352 10 30 DGEEMO CC(C)(C)c1ccc(C#N)c(N2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000613417308 400713534 /nfs/dbraw/zinc/71/35/34/400713534.db2.gz NLWAJINBVXNTHN-UHFFFAOYSA-N 1 1 309.417 3.358 10 30 DGEEMO C=CCCCN(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000605887949 400887233 /nfs/dbraw/zinc/88/72/33/400887233.db2.gz XXUIKUPBBKEIRF-MRXNPFEDSA-N 1 1 309.498 3.495 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2ccc(O[C@H](C)C(=O)OC)cc2)C1 ZINC000600186603 401213948 /nfs/dbraw/zinc/21/39/48/401213948.db2.gz RXURJNIYKHAJTN-CABCVRRESA-N 1 1 303.402 3.025 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000625702714 401185155 /nfs/dbraw/zinc/18/51/55/401185155.db2.gz GXFHDWPMBBQGJL-GFCCVEGCSA-N 1 1 317.414 3.240 10 30 DGEEMO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000625702714 401185163 /nfs/dbraw/zinc/18/51/63/401185163.db2.gz GXFHDWPMBBQGJL-GFCCVEGCSA-N 1 1 317.414 3.240 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(OCC)cc2)C1 ZINC000625702407 401185480 /nfs/dbraw/zinc/18/54/80/401185480.db2.gz FIAIFFCDXRSRKL-OAHLLOKOSA-N 1 1 302.418 3.312 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000625701671 401186732 /nfs/dbraw/zinc/18/67/32/401186732.db2.gz RGGNAPGGKJNBBP-GFCCVEGCSA-N 1 1 312.866 3.258 10 30 DGEEMO C=CCOc1ccc(CN[C@@H]2CC[NH2+]CC(C)(C)C2)cc1OC ZINC000634732348 401340615 /nfs/dbraw/zinc/34/06/15/401340615.db2.gz DLAXXNAXBOIQPJ-MRXNPFEDSA-N 1 1 318.461 3.128 10 30 DGEEMO C=C1CC(C)(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000631294467 401446915 /nfs/dbraw/zinc/44/69/15/401446915.db2.gz LRPIFCZWVWWRFT-IRXDYDNUSA-N 1 1 304.478 3.456 10 30 DGEEMO C=C1CC(C)(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000631559969 401497382 /nfs/dbraw/zinc/49/73/82/401497382.db2.gz NNXFWWLCMDCBAT-GOSISDBHSA-N 1 1 312.457 3.323 10 30 DGEEMO C=CC(C)(C)CCNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000623466930 401524863 /nfs/dbraw/zinc/52/48/63/401524863.db2.gz QWVNHQQYZNDFEP-INIZCTEOSA-N 1 1 309.498 3.400 10 30 DGEEMO C=CCCn1cc(C[NH2+]C(C)(C)c2ccc(OC)c(F)c2)nn1 ZINC000623676658 401567362 /nfs/dbraw/zinc/56/73/62/401567362.db2.gz ZGJMPZNFNYNIPM-UHFFFAOYSA-N 1 1 318.396 3.027 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000623597070 401552696 /nfs/dbraw/zinc/55/26/96/401552696.db2.gz VUTQUODANHDPTL-DLBZAZTESA-N 1 1 315.461 3.115 10 30 DGEEMO C=C1CC(C)(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000632335224 401601723 /nfs/dbraw/zinc/60/17/23/401601723.db2.gz YNTYRGGDODAWCT-FUHWJXTLSA-N 1 1 312.457 3.370 10 30 DGEEMO CC[N@@H+](CCNc1cccc(Br)c1C#N)C1CC1 ZINC000218000313 165378238 /nfs/dbraw/zinc/37/82/38/165378238.db2.gz CRTFRADXKHDBHR-UHFFFAOYSA-N 1 1 308.223 3.217 10 30 DGEEMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246904681 432180514 /nfs/dbraw/zinc/18/05/14/432180514.db2.gz HCQZPQDVYFPYPV-BBRMVZONSA-N 1 1 309.369 3.315 10 30 DGEEMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H]1c1ccco1 ZINC000246904681 432180518 /nfs/dbraw/zinc/18/05/18/432180518.db2.gz HCQZPQDVYFPYPV-BBRMVZONSA-N 1 1 309.369 3.315 10 30 DGEEMO CC(C)(C#N)CCC[N@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246862777 432174252 /nfs/dbraw/zinc/17/42/52/432174252.db2.gz WCCNFMKLFYMQBZ-CJNGLKHVSA-N 1 1 308.372 3.402 10 30 DGEEMO Cc1cccc(NC[C@@H]2CC[N@@H+](CCCC(C)(C)C#N)C2)n1 ZINC000174839200 228293963 /nfs/dbraw/zinc/29/39/63/228293963.db2.gz YGSDVQLUKHWZPL-INIZCTEOSA-N 1 1 300.450 3.454 10 30 DGEEMO C=CCOCCCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624398619 424807085 /nfs/dbraw/zinc/80/70/85/424807085.db2.gz MHKDAXNSXXPCPL-UHFFFAOYSA-N 1 1 310.401 3.001 10 30 DGEEMO CC(C)c1nnc2n1CC[N@@H+](CCCCC(C)(C)C#N)[C@H]2C ZINC000365193492 276077005 /nfs/dbraw/zinc/07/70/05/276077005.db2.gz HULHPMYHFVHHBI-AWEZNQCLSA-N 1 1 303.454 3.498 10 30 DGEEMO CC(C)c1nnc2n1CC[N@H+](CCCCC(C)(C)C#N)[C@H]2C ZINC000365193492 276077008 /nfs/dbraw/zinc/07/70/08/276077008.db2.gz HULHPMYHFVHHBI-AWEZNQCLSA-N 1 1 303.454 3.498 10 30 DGEEMO C[N@H+]1CCC[C@H]2CN(CC#Cc3ccc(Cl)cc3)CC[C@H]21 ZINC000247946695 277083448 /nfs/dbraw/zinc/08/34/48/277083448.db2.gz DOZCOVNERIDOFM-FUHWJXTLSA-N 1 1 302.849 3.108 10 30 DGEEMO CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+](CCCC#N)C1CC1 ZINC000190935720 277187095 /nfs/dbraw/zinc/18/70/95/277187095.db2.gz HPMBMEOKFUNLNQ-HNNXBMFYSA-N 1 1 307.438 3.154 10 30 DGEEMO COc1cccc([C@H]2C[N@H+](CCCC(C)(C)C#N)CCO2)c1 ZINC000119095713 431643838 /nfs/dbraw/zinc/64/38/38/431643838.db2.gz FTSWJZCTQXLVJO-QGZVFWFLSA-N 1 1 302.418 3.398 10 30 DGEEMO COc1cccc([C@H]2C[N@@H+](CCCC(C)(C)C#N)CCO2)c1 ZINC000119095713 431643845 /nfs/dbraw/zinc/64/38/45/431643845.db2.gz FTSWJZCTQXLVJO-QGZVFWFLSA-N 1 1 302.418 3.398 10 30 DGEEMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)N(CC)CC)c1 ZINC000120178862 431725300 /nfs/dbraw/zinc/72/53/00/431725300.db2.gz JBXJBGCZTPUTLH-GOSISDBHSA-N 1 1 316.445 3.084 10 30 DGEEMO C=CCCC[N@H+](C)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000121134549 431746821 /nfs/dbraw/zinc/74/68/21/431746821.db2.gz HKBDAQWHFUTGGA-DGTBMVLOSA-N 1 1 304.478 3.358 10 30 DGEEMO C=CC[N@@H+](CCc1ccccc1)Cc1cnc2ccc(C#N)cn12 ZINC000092505654 431909686 /nfs/dbraw/zinc/90/96/86/431909686.db2.gz AKQAWYFSSDGKRR-UHFFFAOYSA-N 1 1 316.408 3.437 10 30 DGEEMO C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000092810783 431912334 /nfs/dbraw/zinc/91/23/34/431912334.db2.gz KZIRXUXGLDSMDR-AWEZNQCLSA-N 1 1 310.401 3.080 10 30 DGEEMO N#Cc1cccc(OCCC[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000127700720 431978336 /nfs/dbraw/zinc/97/83/36/431978336.db2.gz PDPQTQIVYNKLHO-GOSISDBHSA-N 1 1 310.401 3.277 10 30 DGEEMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248551663 432300146 /nfs/dbraw/zinc/30/01/46/432300146.db2.gz ISQCHIAIKIFGSA-DOTOQJQBSA-N 1 1 304.821 3.339 10 30 DGEEMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248551663 432300149 /nfs/dbraw/zinc/30/01/49/432300149.db2.gz ISQCHIAIKIFGSA-DOTOQJQBSA-N 1 1 304.821 3.339 10 30 DGEEMO CN(CC#Cc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192049864 432326879 /nfs/dbraw/zinc/32/68/79/432326879.db2.gz LPIYTVOCTJTYRU-QFIPXVFZSA-N 1 1 318.464 3.492 10 30 DGEEMO OCCC[N@@H+](CC#Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000192059072 432328646 /nfs/dbraw/zinc/32/86/46/432328646.db2.gz MHFPWCHXPRSPSX-NRFANRHFSA-N 1 1 305.421 3.410 10 30 DGEEMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CC#Cc1ccccc1 ZINC000192053414 432329517 /nfs/dbraw/zinc/32/95/17/432329517.db2.gz PJRNTPADHVSYER-AOMKIAJQSA-N 1 1 311.450 3.469 10 30 DGEEMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000192053414 432329519 /nfs/dbraw/zinc/32/95/19/432329519.db2.gz PJRNTPADHVSYER-AOMKIAJQSA-N 1 1 311.450 3.469 10 30 DGEEMO CC#CCCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000248622960 432307378 /nfs/dbraw/zinc/30/73/78/432307378.db2.gz MJVBFJBLMQYOEL-AEFFLSMTSA-N 1 1 318.848 3.395 10 30 DGEEMO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000248622960 432307382 /nfs/dbraw/zinc/30/73/82/432307382.db2.gz MJVBFJBLMQYOEL-AEFFLSMTSA-N 1 1 318.848 3.395 10 30 DGEEMO C#CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000248643109 432310357 /nfs/dbraw/zinc/31/03/57/432310357.db2.gz YOTCIOQOKVLCFW-HOTGVXAUSA-N 1 1 318.848 3.251 10 30 DGEEMO C#CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000248643109 432310364 /nfs/dbraw/zinc/31/03/64/432310364.db2.gz YOTCIOQOKVLCFW-HOTGVXAUSA-N 1 1 318.848 3.251 10 30 DGEEMO N#Cc1ccc(OCC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)cc1 ZINC000175999947 432485146 /nfs/dbraw/zinc/48/51/46/432485146.db2.gz HBHQBDANVRQMFO-UHFFFAOYSA-N 1 1 318.380 3.117 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000185838114 432538150 /nfs/dbraw/zinc/53/81/50/432538150.db2.gz ANBCEPVDQXVDGK-LZLYRXPVSA-N 1 1 300.446 3.368 10 30 DGEEMO C=CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000188225117 432712804 /nfs/dbraw/zinc/71/28/04/432712804.db2.gz UYPRYXQTSFBOIN-JQHSSLGASA-N 1 1 300.446 3.287 10 30 DGEEMO Cc1cc(C#N)ccc1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000178637661 432761416 /nfs/dbraw/zinc/76/14/16/432761416.db2.gz IACOYVQMPCAIAK-UHFFFAOYSA-N 1 1 313.445 3.203 10 30 DGEEMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000245735973 432859858 /nfs/dbraw/zinc/85/98/58/432859858.db2.gz KSXOVUMSJICXDJ-KSSFIOAISA-N 1 1 310.401 3.428 10 30 DGEEMO C=CCCC[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279331521 432956628 /nfs/dbraw/zinc/95/66/28/432956628.db2.gz CYEDFGGMXBGIMI-UHFFFAOYSA-N 1 1 309.417 3.257 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000290524576 433080528 /nfs/dbraw/zinc/08/05/28/433080528.db2.gz ZVIIFXCAAWSRDN-AWEZNQCLSA-N 1 1 301.434 3.209 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000290524580 433081849 /nfs/dbraw/zinc/08/18/49/433081849.db2.gz ZVIIFXCAAWSRDN-CQSZACIVSA-N 1 1 301.434 3.209 10 30 DGEEMO C=CCC[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453336247 433100367 /nfs/dbraw/zinc/10/03/67/433100367.db2.gz AZFCGMSFJGRCAT-HAGHYFMRSA-N 1 1 314.473 3.099 10 30 DGEEMO C=C(C)CN1CCC([NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000447928640 433322592 /nfs/dbraw/zinc/32/25/92/433322592.db2.gz FFUQXXYMUMLIDO-UHFFFAOYSA-N 1 1 310.445 3.002 10 30 DGEEMO N#Cc1cccnc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000374759796 433272823 /nfs/dbraw/zinc/27/28/23/433272823.db2.gz KLEWNYZFKJJGSW-MOPGFXCFSA-N 1 1 318.424 3.197 10 30 DGEEMO C=C(C)C[NH+]1CCC(N[C@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000281307111 433280841 /nfs/dbraw/zinc/28/08/41/433280841.db2.gz RORCVPJCRKZIFS-SFHVURJKSA-N 1 1 318.436 3.452 10 30 DGEEMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCCC34CCC4)C2=O)cc1 ZINC000447877676 433308935 /nfs/dbraw/zinc/30/89/35/433308935.db2.gz IGSNJSLOLRWKTC-KRWDZBQOSA-N 1 1 309.413 3.072 10 30 DGEEMO C=CCCCNC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000447998311 433343820 /nfs/dbraw/zinc/34/38/20/433343820.db2.gz FROINCKKIRUCPK-LJQANCHMSA-N 1 1 315.461 3.307 10 30 DGEEMO C=C(Cl)CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376164008 433680975 /nfs/dbraw/zinc/68/09/75/433680975.db2.gz CVKKVBHZTHHCFT-AWEZNQCLSA-N 1 1 321.852 3.362 10 30 DGEEMO C[C@H]1CCC[N@H+]1C1CCN(c2snc(Cl)c2C#N)CC1 ZINC000301781667 433721600 /nfs/dbraw/zinc/72/16/00/433721600.db2.gz NGXQVFXRSLSVCZ-JTQLQIEISA-N 1 1 310.854 3.121 10 30 DGEEMO C=C[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000362632184 433800877 /nfs/dbraw/zinc/80/08/77/433800877.db2.gz YYQSEJVCCWYOHT-MIGBEJBISA-N 1 1 313.445 3.056 10 30 DGEEMO C=CC[C@H](CO)Nc1cc[nH+]c2cc(Br)ccc12 ZINC000302143879 433813446 /nfs/dbraw/zinc/81/34/46/433813446.db2.gz QGHGUKBWVJGJGT-LLVKDONJSA-N 1 1 307.191 3.346 10 30 DGEEMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000450286940 434081972 /nfs/dbraw/zinc/08/19/72/434081972.db2.gz MVZRGPFJVNMRFI-HUUCEWRRSA-N 1 1 306.837 3.414 10 30 DGEEMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000450286940 434081978 /nfs/dbraw/zinc/08/19/78/434081978.db2.gz MVZRGPFJVNMRFI-HUUCEWRRSA-N 1 1 306.837 3.414 10 30 DGEEMO Cc1cc(C#N)cc(N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)n1 ZINC000324161457 434271178 /nfs/dbraw/zinc/27/11/78/434271178.db2.gz PPLUWBORZUWABO-INIZCTEOSA-N 1 1 320.440 3.220 10 30 DGEEMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328855682 434322324 /nfs/dbraw/zinc/32/23/24/434322324.db2.gz XRSDMYDYKPRLJA-HUUCEWRRSA-N 1 1 309.454 3.497 10 30 DGEEMO C[C@@H](NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358571700 434399629 /nfs/dbraw/zinc/39/96/29/434399629.db2.gz PITFLNSDIJAIRP-RBSFLKMASA-N 1 1 303.425 3.468 10 30 DGEEMO C[C@@H]([NH2+]C[C@@H](C)N1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358571700 434399635 /nfs/dbraw/zinc/39/96/35/434399635.db2.gz PITFLNSDIJAIRP-RBSFLKMASA-N 1 1 303.425 3.468 10 30 DGEEMO C[C@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1ccc(C#N)cc1F ZINC000358594773 434400430 /nfs/dbraw/zinc/40/04/30/434400430.db2.gz UDUVMJORIXSOAO-GJZGRUSLSA-N 1 1 303.425 3.468 10 30 DGEEMO C=C(C)Cn1c([C@@H](C)CC)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000358949500 434408433 /nfs/dbraw/zinc/40/84/33/434408433.db2.gz HGLAVISDFJGZOZ-HOCLYGCPSA-N 1 1 317.481 3.041 10 30 DGEEMO C=CCCO[C@H](C)C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000371566937 434732161 /nfs/dbraw/zinc/73/21/61/434732161.db2.gz XZNQOCNXFMRGGN-CYBMUJFWSA-N 1 1 300.402 3.084 10 30 DGEEMO C=CCCC[C@@H](C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000372465361 434829763 /nfs/dbraw/zinc/82/97/63/434829763.db2.gz PYKYSDUMMDWUSB-KGLIPLIRSA-N 1 1 303.450 3.499 10 30 DGEEMO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1 ZINC000573229024 434883492 /nfs/dbraw/zinc/88/34/92/434883492.db2.gz OHAIVVOGIDOAFS-OTWHNJEPSA-N 1 1 300.446 3.214 10 30 DGEEMO C=CCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000573229024 434883498 /nfs/dbraw/zinc/88/34/98/434883498.db2.gz OHAIVVOGIDOAFS-OTWHNJEPSA-N 1 1 300.446 3.214 10 30 DGEEMO C=CCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000573229024 434883503 /nfs/dbraw/zinc/88/35/03/434883503.db2.gz OHAIVVOGIDOAFS-OTWHNJEPSA-N 1 1 300.446 3.214 10 30 DGEEMO C=CCN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000554597313 434938904 /nfs/dbraw/zinc/93/89/04/434938904.db2.gz NDNBWMCPIIKCRQ-LBPRGKRZSA-N 1 1 312.866 3.258 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000523010748 434938933 /nfs/dbraw/zinc/93/89/33/434938933.db2.gz SKSLMVWZJOGQBB-UHFFFAOYSA-N 1 1 314.473 3.366 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463029385 434941146 /nfs/dbraw/zinc/94/11/46/434941146.db2.gz OJBVZJSLIMFKPK-OAQYLSRUSA-N 1 1 323.436 3.387 10 30 DGEEMO C=CCCC[N@H+](C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000524248147 434974370 /nfs/dbraw/zinc/97/43/70/434974370.db2.gz MMFNXLJWYJHYFH-CQSZACIVSA-N 1 1 317.351 3.343 10 30 DGEEMO C=CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)c1 ZINC000467372956 435117891 /nfs/dbraw/zinc/11/78/91/435117891.db2.gz HSVCTODTFPXBIN-JQHSSLGASA-N 1 1 315.413 3.025 10 30 DGEEMO C=CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)c1 ZINC000467372956 435117894 /nfs/dbraw/zinc/11/78/94/435117894.db2.gz HSVCTODTFPXBIN-JQHSSLGASA-N 1 1 315.413 3.025 10 30 DGEEMO C=CCOCC[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000559154808 435122821 /nfs/dbraw/zinc/12/28/21/435122821.db2.gz GGMATLSKQCTPKY-XHSDSOJGSA-N 1 1 309.450 3.164 10 30 DGEEMO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(C)(C)C)s2)C1=O ZINC000467518048 435124180 /nfs/dbraw/zinc/12/41/80/435124180.db2.gz ZNMCMEGDELRJQF-CQSZACIVSA-N 1 1 306.475 3.264 10 30 DGEEMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C(C)(C)C)s2)C1=O ZINC000467518048 435124182 /nfs/dbraw/zinc/12/41/82/435124182.db2.gz ZNMCMEGDELRJQF-CQSZACIVSA-N 1 1 306.475 3.264 10 30 DGEEMO C=CCOc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000565117624 435277787 /nfs/dbraw/zinc/27/77/87/435277787.db2.gz VRRYFWRTFHAEDN-HKUYNNGSSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCOc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000565117624 435277793 /nfs/dbraw/zinc/27/77/93/435277793.db2.gz VRRYFWRTFHAEDN-HKUYNNGSSA-N 1 1 300.446 3.168 10 30 DGEEMO C=C(C)C[N@@H+](C)Cc1cc(Br)ccc1C(=O)OC ZINC000514236203 435416543 /nfs/dbraw/zinc/41/65/43/435416543.db2.gz PAVHHYGWLAXRCW-UHFFFAOYSA-N 1 1 312.207 3.244 10 30 DGEEMO C=C(C)C[N@H+](C)Cc1cc(Br)ccc1C(=O)OC ZINC000514236203 435416548 /nfs/dbraw/zinc/41/65/48/435416548.db2.gz PAVHHYGWLAXRCW-UHFFFAOYSA-N 1 1 312.207 3.244 10 30 DGEEMO C=CCOCC[N@@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000517399196 435592604 /nfs/dbraw/zinc/59/26/04/435592604.db2.gz YJBGBZVCWBAWKE-UHFFFAOYSA-N 1 1 310.235 3.318 10 30 DGEEMO C=CCOCC[N@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000517399196 435592607 /nfs/dbraw/zinc/59/26/07/435592607.db2.gz YJBGBZVCWBAWKE-UHFFFAOYSA-N 1 1 310.235 3.318 10 30 DGEEMO C=CCN(CC=C)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000490454118 435656194 /nfs/dbraw/zinc/65/61/94/435656194.db2.gz UACIWKLBWFAJBE-UHFFFAOYSA-N 1 1 318.327 3.019 10 30 DGEEMO C=CCN(C)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000490936497 435690578 /nfs/dbraw/zinc/69/05/78/435690578.db2.gz AVKYBLUYYAVJHH-UHFFFAOYSA-N 1 1 308.425 3.333 10 30 DGEEMO C[N@@H+](CCC(=O)Nc1sccc1C#N)C[C@@H]1CC=CCC1 ZINC000542249495 314064656 /nfs/dbraw/zinc/06/46/56/314064656.db2.gz SAGCATBHLIBLDQ-CYBMUJFWSA-N 1 1 303.431 3.236 10 30 DGEEMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C[C@H]1CC=CCC1 ZINC000544110202 314174105 /nfs/dbraw/zinc/17/41/05/314174105.db2.gz BTXJNTCJAWKNCQ-ZDUSSCGKSA-N 1 1 317.820 3.438 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)cc1Cl ZINC000092588325 332134800 /nfs/dbraw/zinc/13/48/00/332134800.db2.gz ZWMXSSGACLXEEU-CQSZACIVSA-N 1 1 322.836 3.135 10 30 DGEEMO C=C(C)[C@@H]([NH2+]CC(=O)NC(C)(C)CC)c1ccc(F)c(F)c1 ZINC000187764323 332346118 /nfs/dbraw/zinc/34/61/18/332346118.db2.gz KFOWDVUAYAYOQF-MRXNPFEDSA-N 1 1 310.388 3.476 10 30 DGEEMO C=C(CC)C[NH+]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000536882230 337844228 /nfs/dbraw/zinc/84/42/28/337844228.db2.gz VZTXYCUFXKVBIA-UHFFFAOYSA-N 1 1 316.489 3.313 10 30 DGEEMO C=CCCc1ccccc1NC(=O)N1CCC[N@H+](CC)CC1 ZINC000505010151 340158591 /nfs/dbraw/zinc/15/85/91/340158591.db2.gz CBIGKMLDGHERGW-UHFFFAOYSA-N 1 1 301.434 3.365 10 30 DGEEMO C=CCSCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000543755230 341057097 /nfs/dbraw/zinc/05/70/97/341057097.db2.gz SWBLRARBPAHRSP-SJLPKXTDSA-N 1 1 304.503 3.406 10 30 DGEEMO C=C(C)CN1CCC([NH2+]Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000136078682 341252458 /nfs/dbraw/zinc/25/24/58/341252458.db2.gz PHJJGSVJKOAVBZ-UHFFFAOYSA-N 1 1 310.445 3.207 10 30 DGEEMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](COC)CC2)c1C ZINC000452097787 534433516 /nfs/dbraw/zinc/43/35/16/534433516.db2.gz ZUXYUHYGICUKOD-QGZVFWFLSA-N 1 1 318.461 3.222 10 30 DGEEMO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c(C#N)c1C ZINC000177359382 534610951 /nfs/dbraw/zinc/61/09/51/534610951.db2.gz AXBNNXNGUFPKIQ-QWRGUYRKSA-N 1 1 305.447 3.296 10 30 DGEEMO Cc1sc(NC(=O)C[N@H+]2C[C@@H](C)CC[C@@H]2C)c(C#N)c1C ZINC000177359382 534610955 /nfs/dbraw/zinc/61/09/55/534610955.db2.gz AXBNNXNGUFPKIQ-QWRGUYRKSA-N 1 1 305.447 3.296 10 30 DGEEMO C=CCCCC[C@H](C)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000449291875 534698140 /nfs/dbraw/zinc/69/81/40/534698140.db2.gz ODVOSMIANUNXEN-HNNXBMFYSA-N 1 1 315.461 3.077 10 30 DGEEMO C=CCCCC[C@H](C)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000449291875 534698148 /nfs/dbraw/zinc/69/81/48/534698148.db2.gz ODVOSMIANUNXEN-HNNXBMFYSA-N 1 1 315.461 3.077 10 30 DGEEMO Cc1ccc(CC(=O)ONC(=[NH2+])c2ccc(Cl)cc2)cc1 ZINC000004985787 524279032 /nfs/dbraw/zinc/27/90/32/524279032.db2.gz SJBHUFGORYAZPG-UHFFFAOYSA-N 1 1 302.761 3.055 10 30 DGEEMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000318446089 534786096 /nfs/dbraw/zinc/78/60/96/534786096.db2.gz OWZQPKJOGIRRQU-KBAYOESNSA-N 1 1 302.393 3.213 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000449460888 534882756 /nfs/dbraw/zinc/88/27/56/534882756.db2.gz ODWZHPKGELNLBJ-GUDVDZBRSA-N 1 1 301.430 3.377 10 30 DGEEMO C=CC[N@H+](CCC1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000432927758 526272569 /nfs/dbraw/zinc/27/25/69/526272569.db2.gz NZROHPSVZKTIDY-UHFFFAOYSA-N 1 1 304.390 3.400 10 30 DGEEMO C=C(C)COc1cc(C[N@@H+](C)C[C@@H]2CCCO2)ccc1OC ZINC000128124890 526659114 /nfs/dbraw/zinc/65/91/14/526659114.db2.gz ISXJWJPWQZPLPC-INIZCTEOSA-N 1 1 305.418 3.261 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000412692872 526695425 /nfs/dbraw/zinc/69/54/25/526695425.db2.gz DVGYZSNLWGZQKS-SJORKVTESA-N 1 1 300.446 3.322 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000412692872 526695430 /nfs/dbraw/zinc/69/54/30/526695430.db2.gz DVGYZSNLWGZQKS-SJORKVTESA-N 1 1 300.446 3.322 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000185468112 526699993 /nfs/dbraw/zinc/69/99/93/526699993.db2.gz XUBSSABJDIAQRC-MJGOQNOKSA-N 1 1 314.473 3.270 10 30 DGEEMO C=CCOCCN(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000338956371 526769395 /nfs/dbraw/zinc/76/93/95/526769395.db2.gz XVVSLBRWRWSOTI-HKUYNNGSSA-N 1 1 302.462 3.346 10 30 DGEEMO C=CCOCC[N@@H+](CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000338956371 526769401 /nfs/dbraw/zinc/76/94/01/526769401.db2.gz XVVSLBRWRWSOTI-HKUYNNGSSA-N 1 1 302.462 3.346 10 30 DGEEMO C=CCOCC[N@H+](CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000338956371 526769404 /nfs/dbraw/zinc/76/94/04/526769404.db2.gz XVVSLBRWRWSOTI-HKUYNNGSSA-N 1 1 302.462 3.346 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)cc1 ZINC000355152120 526869613 /nfs/dbraw/zinc/86/96/13/526869613.db2.gz SLUMQJVXUJQHFN-CEXWTWQISA-N 1 1 317.429 3.020 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000351932679 526870106 /nfs/dbraw/zinc/87/01/06/526870106.db2.gz WMWCFDBZRZLTGV-UHFFFAOYSA-N 1 1 319.470 3.349 10 30 DGEEMO C=CCOc1ccccc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348876196 526929075 /nfs/dbraw/zinc/92/90/75/526929075.db2.gz MEPHYBNERSPBSN-JWTNVVGKSA-N 1 1 300.446 3.308 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000354118134 526929259 /nfs/dbraw/zinc/92/92/59/526929259.db2.gz BZYYZFYQIJANMH-UHFFFAOYSA-N 1 1 305.418 3.415 10 30 DGEEMO C=CCSCC[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000346654635 527004419 /nfs/dbraw/zinc/00/44/19/527004419.db2.gz UASAMZZLGHSLHB-INIZCTEOSA-N 1 1 303.406 3.214 10 30 DGEEMO C=CCCCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000346053608 527190967 /nfs/dbraw/zinc/19/09/67/527190967.db2.gz DTEVSZRKBSJJIL-UHFFFAOYSA-N 1 1 320.343 3.243 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000346960590 527192250 /nfs/dbraw/zinc/19/22/50/527192250.db2.gz KJZONYMAJBGTBY-GOSISDBHSA-N 1 1 300.446 3.420 10 30 DGEEMO C=CCC[N@H+](C)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000342740799 527318403 /nfs/dbraw/zinc/31/84/03/527318403.db2.gz XRUCJQKDZBYEEA-MRXNPFEDSA-N 1 1 300.446 3.322 10 30 DGEEMO C=CCC[N@@H+](C)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000342741048 527320344 /nfs/dbraw/zinc/32/03/44/527320344.db2.gz SVAPKCLOJZRSFB-UHFFFAOYSA-N 1 1 301.415 3.257 10 30 DGEEMO C=CCC[N@H+](C)CC(=O)Nc1nc(-c2ccccc2)cs1 ZINC000342741048 527320350 /nfs/dbraw/zinc/32/03/50/527320350.db2.gz SVAPKCLOJZRSFB-UHFFFAOYSA-N 1 1 301.415 3.257 10 30 DGEEMO C=CCOc1cccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000129353386 545941640 /nfs/dbraw/zinc/94/16/40/545941640.db2.gz ROZKPNQRZGHJGI-IEBWSBKVSA-N 1 1 301.430 3.378 10 30 DGEEMO C=CCc1cc(C[N@H+]2CCCCC[C@@H]2CCO)cc(OC)c1O ZINC000342825463 546560519 /nfs/dbraw/zinc/56/05/19/546560519.db2.gz SAIWTSHYXMPECH-QGZVFWFLSA-N 1 1 319.445 3.256 10 30 DGEEMO C#CCOc1ccc(CNCC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000733327652 574616161 /nfs/dbraw/zinc/61/61/61/574616161.db2.gz ALSQZFDVJRDTDO-IAGOWNOFSA-N 1 1 300.446 3.051 10 30 DGEEMO CC(C)[N@H+]1CCCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735309027 574696363 /nfs/dbraw/zinc/69/63/63/574696363.db2.gz CPTHCMRNRAXPKK-UHFFFAOYSA-N 1 1 321.852 3.158 10 30 DGEEMO C=CCCC[N@@H+](C)Cn1cc(C)n(-c2ccccc2Cl)c1=O ZINC000736581277 574759631 /nfs/dbraw/zinc/75/96/31/574759631.db2.gz BBOAOKCBQLCVJO-UHFFFAOYSA-N 1 1 319.836 3.456 10 30 DGEEMO C=CCCC[N@H+](C)Cn1cc(C)n(-c2ccccc2Cl)c1=O ZINC000736581277 574759633 /nfs/dbraw/zinc/75/96/33/574759633.db2.gz BBOAOKCBQLCVJO-UHFFFAOYSA-N 1 1 319.836 3.456 10 30 DGEEMO Cc1cccc2nc(CNC(=[NH2+])Nc3ccc4c(c3)CCC4)[nH]c21 ZINC000120462627 621882253 /nfs/dbraw/zinc/88/22/53/621882253.db2.gz FFDRWZRLBBPGFH-UHFFFAOYSA-N 1 1 319.412 3.287 10 30 DGEEMO CCCCCCCCCC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000173812892 659402537 /nfs/dbraw/zinc/40/25/37/659402537.db2.gz FNJBYNGPMDECHG-ZWKOTPCHSA-N 1 1 324.509 3.306 10 30 DGEEMO C=C[C@@](C)(CCOC)C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187602044 655553622 /nfs/dbraw/zinc/55/36/22/655553622.db2.gz HRNYCDDIPPUNMZ-HKUYNNGSSA-N 1 1 317.429 3.033 10 30 DGEEMO CCOc1cccc(/C=N\C[C@H]2CCC[N@H+]2CC(C)C)c1O ZINC000255357713 655705421 /nfs/dbraw/zinc/70/54/21/655705421.db2.gz KKLVTWLJKXPJFZ-VXIUPONVSA-N 1 1 304.434 3.330 10 30 DGEEMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000176833587 655851482 /nfs/dbraw/zinc/85/14/82/655851482.db2.gz CQIXUMYYQRBWSM-CYBMUJFWSA-N 1 1 309.417 3.203 10 30 DGEEMO C#CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000092594301 662332797 /nfs/dbraw/zinc/33/27/97/662332797.db2.gz XTYCWQIWTVHCCL-KRWDZBQOSA-N 1 1 313.422 3.334 10 30 DGEEMO C#CCOc1ccc(C[N@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000092594301 662332799 /nfs/dbraw/zinc/33/27/99/662332799.db2.gz XTYCWQIWTVHCCL-KRWDZBQOSA-N 1 1 313.422 3.334 10 30 DGEEMO C=CCN(CC=C)[C@@H](C[NH2+]Cc1cn2ccccc2n1)C(C)C ZINC000150950675 1177612086 /nfs/dbraw/zinc/61/20/86/1177612086.db2.gz KPSDUYCOWLJGPD-SFHVURJKSA-N 1 1 312.461 3.123 10 30 DGEEMO C#CC[N@@H+](C)CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000328030615 1177704723 /nfs/dbraw/zinc/70/47/23/1177704723.db2.gz VDYXXFSCZQGCIT-UHFFFAOYSA-N 1 1 316.188 3.269 10 30 DGEEMO C[C@H](CNc1cc(Br)ccc1C#N)[N@@H+](C)C1CC1 ZINC000218026605 1202543254 /nfs/dbraw/zinc/54/32/54/1202543254.db2.gz YSKQYOSGXMHSQI-SNVBAGLBSA-N 1 1 308.223 3.215 10 30 DGEEMO Cn1cc([C@@H]2CCC[N@H+]2Cc2cccc(OCCCC#N)c2)cn1 ZINC000131862147 432041383 /nfs/dbraw/zinc/04/13/83/432041383.db2.gz NVTXNMGUEZSVJK-IBGZPJMESA-N 1 1 324.428 3.440 10 30 DGEEMO N#Cc1ccc2ncc(C[N@@H+]3CCS[C@H]4CCCC[C@H]43)n2c1 ZINC000245688042 283201302 /nfs/dbraw/zinc/20/13/02/283201302.db2.gz AWSURMLFLRGIDT-CVEARBPZSA-N 1 1 312.442 3.066 10 30 DGEEMO N#Cc1ccc2ncc(C[N@H+]3CCS[C@H]4CCCC[C@H]43)n2c1 ZINC000245688042 283201304 /nfs/dbraw/zinc/20/13/04/283201304.db2.gz AWSURMLFLRGIDT-CVEARBPZSA-N 1 1 312.442 3.066 10 30 DGEEMO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3nc(CC)nc32)cc1 ZINC000167784187 432066822 /nfs/dbraw/zinc/06/68/22/432066822.db2.gz WTIHYCORYIXSBB-RHSMWYFYSA-N 1 1 324.428 3.038 10 30 DGEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000246115840 432096172 /nfs/dbraw/zinc/09/61/72/432096172.db2.gz CSZAMPNLSKHZHA-PBHICJAKSA-N 1 1 322.374 3.225 10 30 DGEEMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000180882200 432103761 /nfs/dbraw/zinc/10/37/61/432103761.db2.gz AUMOUFDVQMYKIF-PBHICJAKSA-N 1 1 321.428 3.425 10 30 DGEEMO C=CCOc1ccccc1CN1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000449346562 240146619 /nfs/dbraw/zinc/14/66/19/240146619.db2.gz NTAWXRCMVDMSOD-MRXNPFEDSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000449346562 240146622 /nfs/dbraw/zinc/14/66/22/240146622.db2.gz NTAWXRCMVDMSOD-MRXNPFEDSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000449346562 240146627 /nfs/dbraw/zinc/14/66/27/240146627.db2.gz NTAWXRCMVDMSOD-MRXNPFEDSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCCC[C@@H](C)[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000451426977 241120198 /nfs/dbraw/zinc/12/01/98/241120198.db2.gz ZIEZMWMEJPLXIC-SJLPKXTDSA-N 1 1 317.477 3.361 10 30 DGEEMO C=CCOc1cccc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000246283063 432114273 /nfs/dbraw/zinc/11/42/73/432114273.db2.gz BQYNZMOVHRWYDF-WMLDXEAASA-N 1 1 317.433 3.102 10 30 DGEEMO C=CC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458982518 243218776 /nfs/dbraw/zinc/21/87/76/243218776.db2.gz AZNHHFLRCMJBMH-QGZVFWFLSA-N 1 1 315.461 3.115 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190192761 432131977 /nfs/dbraw/zinc/13/19/77/432131977.db2.gz YMOPIKAIARMYCS-ZDUSSCGKSA-N 1 1 318.383 3.097 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190192761 432131974 /nfs/dbraw/zinc/13/19/74/432131974.db2.gz YMOPIKAIARMYCS-ZDUSSCGKSA-N 1 1 318.383 3.097 10 30 DGEEMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ccc(C#N)cc1Br ZINC000248822810 285028137 /nfs/dbraw/zinc/02/81/37/285028137.db2.gz JGDZIEFNRMTKDR-GNXNZQSNSA-N 1 1 323.234 3.054 10 30 DGEEMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000248822810 285028138 /nfs/dbraw/zinc/02/81/38/285028138.db2.gz JGDZIEFNRMTKDR-GNXNZQSNSA-N 1 1 323.234 3.054 10 30 DGEEMO COc1cc(OC)cc([C@@H]2CC[N@@H+](CCCSCC#N)C2)c1 ZINC000177415787 533084445 /nfs/dbraw/zinc/08/44/45/533084445.db2.gz IZNUULWRFCXCGH-CQSZACIVSA-N 1 1 320.458 3.140 10 30 DGEEMO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000156042053 197083065 /nfs/dbraw/zinc/08/30/65/197083065.db2.gz BIKXSIFBVNKFMF-XPGWFJOJSA-N 1 1 322.408 3.054 10 30 DGEEMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000156042053 197083067 /nfs/dbraw/zinc/08/30/67/197083067.db2.gz BIKXSIFBVNKFMF-XPGWFJOJSA-N 1 1 322.408 3.054 10 30 DGEEMO C=CCO[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1ccc2ccccc2n1 ZINC000253376629 257106251 /nfs/dbraw/zinc/10/62/51/257106251.db2.gz UNJNNEAMONPGBJ-VAMGGRTRSA-N 1 1 324.424 3.169 10 30 DGEEMO C=CCO[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1ccc2ccccc2n1 ZINC000253376629 257106252 /nfs/dbraw/zinc/10/62/52/257106252.db2.gz UNJNNEAMONPGBJ-VAMGGRTRSA-N 1 1 324.424 3.169 10 30 DGEEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@H]1c1cccc(C#N)c1 ZINC000616610164 400185245 /nfs/dbraw/zinc/18/52/45/400185245.db2.gz OOJYRBZMNDTKIP-INIZCTEOSA-N 1 1 315.417 3.220 10 30 DGEEMO C=CCOc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000092043062 400149169 /nfs/dbraw/zinc/14/91/69/400149169.db2.gz KENZSAUTGJSPCP-HKUYNNGSSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCOc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000092043062 400149174 /nfs/dbraw/zinc/14/91/74/400149174.db2.gz KENZSAUTGJSPCP-HKUYNNGSSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCCC1(CNC(=O)Cn2c[nH+]c3c2CCCC3)CCCC1 ZINC000617417071 400385238 /nfs/dbraw/zinc/38/52/38/400385238.db2.gz KGQVCTTYLUIZKJ-UHFFFAOYSA-N 1 1 315.461 3.405 10 30 DGEEMO C[C@@H]1Cc2ccccc2N1C1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000610968379 400330016 /nfs/dbraw/zinc/33/00/16/400330016.db2.gz FUMOCPDSCJDMJF-IAGOWNOFSA-N 1 1 322.456 3.346 10 30 DGEEMO C=CC[C@@H]1CCCN(C(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000617782112 400453439 /nfs/dbraw/zinc/45/34/39/400453439.db2.gz YUTHVZRKSNRYOF-QGZVFWFLSA-N 1 1 312.457 3.250 10 30 DGEEMO C=CCC[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)C(=O)OCC ZINC000602683974 400538292 /nfs/dbraw/zinc/53/82/92/400538292.db2.gz ZCOILDJENOGUJX-AEFFLSMTSA-N 1 1 316.445 3.000 10 30 DGEEMO C/C(=C/c1cccc(C(F)(F)F)c1)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522763 400663904 /nfs/dbraw/zinc/66/39/04/400663904.db2.gz RNJRBHLHRIAFBO-OVHOFWQVSA-N 1 1 324.346 3.459 10 30 DGEEMO C=CCCC[N@H+](C)[C@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000076733829 400669371 /nfs/dbraw/zinc/66/93/71/400669371.db2.gz MSHJPSRVVZCFSE-OAHLLOKOSA-N 1 1 317.433 3.238 10 30 DGEEMO CC[C@H](c1ccc(F)cc1)[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000154140061 400692061 /nfs/dbraw/zinc/69/20/61/400692061.db2.gz ZGBORQNPUYQKBG-GOSISDBHSA-N 1 1 324.403 3.366 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000605738748 400884678 /nfs/dbraw/zinc/88/46/78/400884678.db2.gz DTAOHSIDQITILB-LJQANCHMSA-N 1 1 300.446 3.460 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000605875933 400886718 /nfs/dbraw/zinc/88/67/18/400886718.db2.gz DJNZECSKBLDOHY-FUHWJXTLSA-N 1 1 315.461 3.430 10 30 DGEEMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000620305823 401051772 /nfs/dbraw/zinc/05/17/72/401051772.db2.gz SANCKJGWIJGFEG-KDURUIRLSA-N 1 1 310.441 3.144 10 30 DGEEMO C=CC[N@H+](CCc1ccccc1)CC(=O)NC1CCCCC1 ZINC000060168333 401103108 /nfs/dbraw/zinc/10/31/08/401103108.db2.gz UJLFSHWEEXFFQQ-UHFFFAOYSA-N 1 1 300.446 3.166 10 30 DGEEMO C=CC[N@@H+](CCc1ccccc1)CC(=O)NC1CCCCC1 ZINC000060168333 401103113 /nfs/dbraw/zinc/10/31/13/401103113.db2.gz UJLFSHWEEXFFQQ-UHFFFAOYSA-N 1 1 300.446 3.166 10 30 DGEEMO C=CC[N@H+](CCc1ccccc1)Cc1cccc(C(=O)OCC)n1 ZINC000600115209 401183189 /nfs/dbraw/zinc/18/31/89/401183189.db2.gz OQDYUNKHLVFFPI-UHFFFAOYSA-N 1 1 324.424 3.489 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000625702366 401185680 /nfs/dbraw/zinc/18/56/80/401185680.db2.gz XWQXLXREKBFXPM-GFCCVEGCSA-N 1 1 300.324 3.421 10 30 DGEEMO C=CC[C@@H]1CC[N@@H+](Cc2nc3c4ccccc4oc3c(=O)[nH]2)C1 ZINC000625702362 401185918 /nfs/dbraw/zinc/18/59/18/401185918.db2.gz DRISUABNLKOZJJ-GFCCVEGCSA-N 1 1 309.369 3.480 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000625702242 401186555 /nfs/dbraw/zinc/18/65/55/401186555.db2.gz FXEPEODZHTWYIZ-CQSZACIVSA-N 1 1 306.837 3.244 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CCCS(=O)(=O)c2cccc(C)c2)C1 ZINC000625702989 401187580 /nfs/dbraw/zinc/18/75/80/401187580.db2.gz PIJWBIPPCKJEPJ-INIZCTEOSA-N 1 1 307.459 3.057 10 30 DGEEMO C=CCN(Cc1ccc(Cl)s1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635120354 401413215 /nfs/dbraw/zinc/41/32/15/401413215.db2.gz WZFFCJZSOCQDGN-LBPRGKRZSA-N 1 1 312.866 3.258 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000623390576 401506430 /nfs/dbraw/zinc/50/64/30/401506430.db2.gz UIHRGJXCUGRUEY-INIZCTEOSA-N 1 1 307.482 3.249 10 30 DGEEMO C=CC(C)(C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000623814153 401582744 /nfs/dbraw/zinc/58/27/44/401582744.db2.gz BMHQRPKAWYFTHV-SJORKVTESA-N 1 1 315.461 3.333 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000624375032 401656475 /nfs/dbraw/zinc/65/64/75/401656475.db2.gz DVZROVWQRMOFGX-JKSUJKDBSA-N 1 1 305.466 3.001 10 30 DGEEMO C=CC(C)(C)CCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000624464829 401662689 /nfs/dbraw/zinc/66/26/89/401662689.db2.gz QZZDEXCLGQLOIL-WBVHZDCISA-N 1 1 319.493 3.247 10 30 DGEEMO N#Cc1ccc2ncc(C[N@@H+]3Cc4ccccc4C4(CC4)C3)n2c1 ZINC000187678422 165101398 /nfs/dbraw/zinc/10/13/98/165101398.db2.gz NRIFSBVKTXNTLB-UHFFFAOYSA-N 1 1 314.392 3.253 10 30 DGEEMO N#Cc1ccc2ncc(C[N@H+]3Cc4ccccc4C4(CC4)C3)n2c1 ZINC000187678422 165101402 /nfs/dbraw/zinc/10/14/02/165101402.db2.gz NRIFSBVKTXNTLB-UHFFFAOYSA-N 1 1 314.392 3.253 10 30 DGEEMO Cn1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1C#N ZINC000191216654 165237502 /nfs/dbraw/zinc/23/75/02/165237502.db2.gz YTSBONKRYGZHCW-HNNXBMFYSA-N 1 1 320.396 3.418 10 30 DGEEMO Cn1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1C#N ZINC000191216675 165238337 /nfs/dbraw/zinc/23/83/37/165238337.db2.gz YTSBONKRYGZHCW-OAHLLOKOSA-N 1 1 320.396 3.418 10 30 DGEEMO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000190476378 432160673 /nfs/dbraw/zinc/16/06/73/432160673.db2.gz ZPUIYOUTPZGGRG-SFHVURJKSA-N 1 1 314.477 3.165 10 30 DGEEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000130842588 196115652 /nfs/dbraw/zinc/11/56/52/196115652.db2.gz WOZPRRIDTJEKLU-MRXNPFEDSA-N 1 1 323.400 3.186 10 30 DGEEMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000358555416 267155641 /nfs/dbraw/zinc/15/56/41/267155641.db2.gz KYGNYSGTEYSUEM-KFWWJZLASA-N 1 1 303.425 3.468 10 30 DGEEMO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358555416 267155644 /nfs/dbraw/zinc/15/56/44/267155644.db2.gz KYGNYSGTEYSUEM-KFWWJZLASA-N 1 1 303.425 3.468 10 30 DGEEMO CC[N@H+]1CCC[C@@H](CNc2ccc(C(F)(F)F)c(C#N)n2)C1 ZINC000619695203 430597484 /nfs/dbraw/zinc/59/74/84/430597484.db2.gz UTADJWVSKVLYPN-NSHDSACASA-N 1 1 312.339 3.116 10 30 DGEEMO C=CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000076491828 431553050 /nfs/dbraw/zinc/55/30/50/431553050.db2.gz OBYOPBMGTXTABW-QAPCUYQASA-N 1 1 316.445 3.054 10 30 DGEEMO C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCC2(C)C)c(OC)c1 ZINC000077383084 431590916 /nfs/dbraw/zinc/59/09/16/431590916.db2.gz JTMRDIIGUKQHLK-MRXNPFEDSA-N 1 1 319.445 3.038 10 30 DGEEMO C=CCCC[N@H+](C)Cc1csc(-c2ccc(C(N)=O)cc2)n1 ZINC000121034862 431740977 /nfs/dbraw/zinc/74/09/77/431740977.db2.gz ZVUVAPVBYBRBKM-UHFFFAOYSA-N 1 1 315.442 3.307 10 30 DGEEMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000121110350 431743647 /nfs/dbraw/zinc/74/36/47/431743647.db2.gz CTXKQACFZLZGDV-CYBMUJFWSA-N 1 1 305.378 3.128 10 30 DGEEMO COc1cc(C[NH2+][C@H]2CCC[C@H]2C#N)c(SC)cc1OC ZINC000086506752 431845733 /nfs/dbraw/zinc/84/57/33/431845733.db2.gz PICMAKMHPFIHNI-AAEUAGOBSA-N 1 1 306.431 3.208 10 30 DGEEMO N#Cc1ccc2ncc(C[N@@H+](Cc3ccccc3)C3CC3)n2c1 ZINC000125422800 431924577 /nfs/dbraw/zinc/92/45/77/431924577.db2.gz FQTNWKCROMBHOR-UHFFFAOYSA-N 1 1 302.381 3.371 10 30 DGEEMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H](C)c1cccc(O)c1 ZINC000091975000 431906697 /nfs/dbraw/zinc/90/66/97/431906697.db2.gz YWSJFQHSKSCSBH-CQSZACIVSA-N 1 1 320.396 3.495 10 30 DGEEMO N#Cc1ccc([C@@H](O)C[N@@H+]2CC=C(c3cccs3)CC2)cc1 ZINC000127525280 431973816 /nfs/dbraw/zinc/97/38/16/431973816.db2.gz RCMDWZADMOCIBH-KRWDZBQOSA-N 1 1 310.422 3.442 10 30 DGEEMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000248969301 432331006 /nfs/dbraw/zinc/33/10/06/432331006.db2.gz SIEVJKZASFFMHE-RDJZCZTQSA-N 1 1 306.413 3.448 10 30 DGEEMO OC[C@H](C1CC1)[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000192129650 432335780 /nfs/dbraw/zinc/33/57/80/432335780.db2.gz ZQGIPTDMNJYUAY-OAQYLSRUSA-N 1 1 305.421 3.311 10 30 DGEEMO COC[C@H]([NH2+]CC#Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000192161327 432338669 /nfs/dbraw/zinc/33/86/69/432338669.db2.gz SAYUITMDVNVMTP-SFHVURJKSA-N 1 1 301.336 3.294 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248712527 432313482 /nfs/dbraw/zinc/31/34/82/432313482.db2.gz BKYTWFNTZPIRDG-FUHWJXTLSA-N 1 1 315.461 3.115 10 30 DGEEMO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)CC[C@@H]1C ZINC000251589417 432369230 /nfs/dbraw/zinc/36/92/30/432369230.db2.gz FLJZEJULJGHARL-XHDPSFHLSA-N 1 1 323.234 3.178 10 30 DGEEMO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)CC[C@@H]1C ZINC000251589417 432369233 /nfs/dbraw/zinc/36/92/33/432369233.db2.gz FLJZEJULJGHARL-XHDPSFHLSA-N 1 1 323.234 3.178 10 30 DGEEMO CC[N@@H+](CCc1ccccc1)Cc1cnc2ccc(C#N)cn12 ZINC000153697825 432433563 /nfs/dbraw/zinc/43/35/63/432433563.db2.gz PUZYTEJRMVKSSO-UHFFFAOYSA-N 1 1 304.397 3.271 10 30 DGEEMO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)o1 ZINC000193635129 432486543 /nfs/dbraw/zinc/48/65/43/432486543.db2.gz UWNPEMPNWVUTKO-NSHDSACASA-N 1 1 317.776 3.402 10 30 DGEEMO CCC(C)(C)[C@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000156734291 432606443 /nfs/dbraw/zinc/60/64/43/432606443.db2.gz KIDYFCKNSVMACX-OAHLLOKOSA-N 1 1 305.466 3.230 10 30 DGEEMO COc1cccc([C@H]2C[N@H+](Cc3ccc(C#N)cc3C)CCO2)c1 ZINC000186259760 432574960 /nfs/dbraw/zinc/57/49/60/432574960.db2.gz GHVNQMHVVWRVKB-HXUWFJFHSA-N 1 1 322.408 3.449 10 30 DGEEMO COc1cccc([C@H]2C[N@@H+](Cc3ccc(C#N)cc3C)CCO2)c1 ZINC000186259760 432574963 /nfs/dbraw/zinc/57/49/63/432574963.db2.gz GHVNQMHVVWRVKB-HXUWFJFHSA-N 1 1 322.408 3.449 10 30 DGEEMO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000186331027 432582870 /nfs/dbraw/zinc/58/28/70/432582870.db2.gz CVTJPQAFZIIRQP-OAHLLOKOSA-N 1 1 317.396 3.298 10 30 DGEEMO COc1ccc(C#N)cc1C[N@@H+](C)CCc1ncc(C)s1 ZINC000157866154 432630131 /nfs/dbraw/zinc/63/01/31/432630131.db2.gz FZDROHYRQFRQFN-UHFFFAOYSA-N 1 1 301.415 3.006 10 30 DGEEMO N#Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1O ZINC000188259491 432714980 /nfs/dbraw/zinc/71/49/80/432714980.db2.gz VMHYXSJPRVBJTN-UHFFFAOYSA-N 1 1 321.380 3.112 10 30 DGEEMO CC[N@@H+](CCCOc1cccc(C#N)c1)CCc1nccs1 ZINC000159361110 432680549 /nfs/dbraw/zinc/68/05/49/432680549.db2.gz FSEIIJXABBHYMR-UHFFFAOYSA-N 1 1 315.442 3.348 10 30 DGEEMO N#Cc1ccc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c(F)c1 ZINC000160905039 432749439 /nfs/dbraw/zinc/74/94/39/432749439.db2.gz AAWMLJZKADUARA-OAHLLOKOSA-N 1 1 310.376 3.026 10 30 DGEEMO C=CCCC[N@H+](C)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189360309 432780710 /nfs/dbraw/zinc/78/07/10/432780710.db2.gz LJUIIWSURKIANU-KRWDZBQOSA-N 1 1 322.399 3.354 10 30 DGEEMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc(C#N)o1 ZINC000246004117 432873899 /nfs/dbraw/zinc/87/38/99/432873899.db2.gz JLALUUXPNAMXOV-IGOJGBNBSA-N 1 1 323.440 3.397 10 30 DGEEMO C=CCCCCC[N@H+](C)CCc1c(C)nc2ccccn2c1=O ZINC000290122791 432995582 /nfs/dbraw/zinc/99/55/82/432995582.db2.gz YVPVLVVPZJWFJI-UHFFFAOYSA-N 1 1 313.445 3.224 10 30 DGEEMO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453341770 433105196 /nfs/dbraw/zinc/10/51/96/433105196.db2.gz CUDRSCYFGHZUET-OBKDMQGPSA-N 1 1 312.457 3.115 10 30 DGEEMO C=CCNC(=O)[C@@H](C)[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000337254860 433218407 /nfs/dbraw/zinc/21/84/07/433218407.db2.gz RBAHWDYRRGZEEQ-CYBMUJFWSA-N 1 1 324.827 3.291 10 30 DGEEMO C=CCCCCC[N@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC000374552857 433221328 /nfs/dbraw/zinc/22/13/28/433221328.db2.gz SJEJSYVQSPJROM-INIZCTEOSA-N 1 1 304.434 3.468 10 30 DGEEMO C=CCCCNC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000448031749 433355255 /nfs/dbraw/zinc/35/52/55/433355255.db2.gz RVJATJHLMSUIHN-SJORKVTESA-N 1 1 315.461 3.257 10 30 DGEEMO C=C(Br)CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282028485 433471005 /nfs/dbraw/zinc/47/10/05/433471005.db2.gz KTVXBKIDGYGKMM-CYBMUJFWSA-N 1 1 324.266 3.307 10 30 DGEEMO C#CCC(CC#C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000376851177 433831580 /nfs/dbraw/zinc/83/15/80/433831580.db2.gz WUHLFCDMCZDBMR-OAHLLOKOSA-N 1 1 319.408 3.021 10 30 DGEEMO CC[C@@](C)(C#N)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000285164935 433920085 /nfs/dbraw/zinc/92/00/85/433920085.db2.gz PUSPWTHTLICPAV-HKUYNNGSSA-N 1 1 313.445 3.097 10 30 DGEEMO Cn1ccc([C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)c2ccc(F)cc2)n1 ZINC000365812488 434309722 /nfs/dbraw/zinc/30/97/22/434309722.db2.gz DNUBEIFMBXDTNY-RPVQJOFSSA-N 1 1 312.392 3.321 10 30 DGEEMO CCCc1nc(C)c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)o1 ZINC000328861723 434322596 /nfs/dbraw/zinc/32/25/96/434322596.db2.gz ZIQWGHKTDLNJCY-AGUYFDCRSA-N 1 1 305.422 3.255 10 30 DGEEMO C=C(CC)C[N@@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000358506209 434396301 /nfs/dbraw/zinc/39/63/01/434396301.db2.gz JEDWQYDOAADBMF-ZDUSSCGKSA-N 1 1 306.372 3.075 10 30 DGEEMO C=C(C)Cn1c(C(C)C)nnc1N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000359101131 434413573 /nfs/dbraw/zinc/41/35/73/434413573.db2.gz JQEZTKSUVQPKJR-CVEARBPZSA-N 1 1 319.497 3.144 10 30 DGEEMO C=CCC[C@@H](NC(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1ccccc1 ZINC000417907790 434546071 /nfs/dbraw/zinc/54/60/71/434546071.db2.gz FLVVXQJRGQHFNY-SJLPKXTDSA-N 1 1 319.424 3.037 10 30 DGEEMO C=CCN1CC[C@@H]([N@H+](C)[C@@H](Cc2ccc(F)cc2)C(C)C)C1=O ZINC000410382864 434644877 /nfs/dbraw/zinc/64/48/77/434644877.db2.gz BSPUGXHXIOPOMH-MSOLQXFVSA-N 1 1 318.436 3.112 10 30 DGEEMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000424295484 434683514 /nfs/dbraw/zinc/68/35/14/434683514.db2.gz MVBMSBCZZRRHSF-MDNKFWRPSA-N 1 1 314.473 3.078 10 30 DGEEMO COc1cc(C[NH2+]Cc2nc3cc(C)ccc3[nH]2)ccc1C#N ZINC000440819663 434746335 /nfs/dbraw/zinc/74/63/35/434746335.db2.gz CXINGYZGBHBOCV-UHFFFAOYSA-N 1 1 306.369 3.041 10 30 DGEEMO COc1cc(C[NH2+]Cc2nc3ccc(C)cc3[nH]2)ccc1C#N ZINC000440819663 434746340 /nfs/dbraw/zinc/74/63/40/434746340.db2.gz CXINGYZGBHBOCV-UHFFFAOYSA-N 1 1 306.369 3.041 10 30 DGEEMO C=CCC1(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCOCC1 ZINC000424603119 434754803 /nfs/dbraw/zinc/75/48/03/434754803.db2.gz ZRNVWSVQFCFQAK-KRWDZBQOSA-N 1 1 322.493 3.130 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000361115005 434802311 /nfs/dbraw/zinc/80/23/11/434802311.db2.gz VRTUWEORXOEDKS-VQIMIIECSA-N 1 1 317.429 3.021 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000361115005 434802315 /nfs/dbraw/zinc/80/23/15/434802315.db2.gz VRTUWEORXOEDKS-VQIMIIECSA-N 1 1 317.429 3.021 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000463029110 434941340 /nfs/dbraw/zinc/94/13/40/434941340.db2.gz NGXFROVDPDQFIY-NRFANRHFSA-N 1 1 323.436 3.387 10 30 DGEEMO C=CC1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000528148390 435021183 /nfs/dbraw/zinc/02/11/83/435021183.db2.gz HNEWFHACICSXNJ-QGZVFWFLSA-N 1 1 305.466 3.001 10 30 DGEEMO C=CCCN(C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000467011686 435105757 /nfs/dbraw/zinc/10/57/57/435105757.db2.gz BEPRZOZLHRDGLU-SFHVURJKSA-N 1 1 315.461 3.259 10 30 DGEEMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000532124864 435142693 /nfs/dbraw/zinc/14/26/93/435142693.db2.gz LHPLPRUNAKMBHK-AWEZNQCLSA-N 1 1 312.479 3.077 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000565854520 435283672 /nfs/dbraw/zinc/28/36/72/435283672.db2.gz OERKVLOFBATTBQ-XYJFISCASA-N 1 1 300.446 3.368 10 30 DGEEMO C=CCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000535809802 435358208 /nfs/dbraw/zinc/35/82/08/435358208.db2.gz JDMPARIFEJYGAV-QZTJIDSGSA-N 1 1 301.430 3.500 10 30 DGEEMO C=C(C)COc1cc(C[N@@H+](C)C2CCOCC2)ccc1OC ZINC000536640412 435395528 /nfs/dbraw/zinc/39/55/28/435395528.db2.gz DEQPDWCKNZTNTQ-UHFFFAOYSA-N 1 1 305.418 3.261 10 30 DGEEMO CC#CC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000484529471 435545926 /nfs/dbraw/zinc/54/59/26/435545926.db2.gz DQEWDKIOBOTVHU-KRWDZBQOSA-N 1 1 306.400 3.493 10 30 DGEEMO COc1cc2c(cc1C[NH+]1CCC(C)(C#N)CC1)O[C@@H](C)C2 ZINC000540952551 435628834 /nfs/dbraw/zinc/62/88/34/435628834.db2.gz QWKRCVXDQIATJL-ZDUSSCGKSA-N 1 1 300.402 3.144 10 30 DGEEMO N#Cc1ccc2nc(N3CCC(c4[nH]cc[nH+]4)CC3)ccc2c1 ZINC000532829816 313580535 /nfs/dbraw/zinc/58/05/35/313580535.db2.gz ROPOCPLNBLAHLW-UHFFFAOYSA-N 1 1 303.369 3.214 10 30 DGEEMO C=CC[N@H+](CCc1ccco1)Cc1cnnn1Cc1ccccc1 ZINC000292882654 335097409 /nfs/dbraw/zinc/09/74/09/335097409.db2.gz XWVWVDDLWSPFAO-UHFFFAOYSA-N 1 1 322.412 3.150 10 30 DGEEMO C=CC[N@@H+](CCc1ccco1)Cc1cnnn1Cc1ccccc1 ZINC000292882654 335097410 /nfs/dbraw/zinc/09/74/10/335097410.db2.gz XWVWVDDLWSPFAO-UHFFFAOYSA-N 1 1 322.412 3.150 10 30 DGEEMO Cc1[nH]c2[nH+]ccc(N3CCOCC3)c2c1-c1cccc(C#N)c1 ZINC000584598858 337370542 /nfs/dbraw/zinc/37/05/42/337370542.db2.gz OMYWIUVBLVCVOV-UHFFFAOYSA-N 1 1 318.380 3.247 10 30 DGEEMO N#Cc1cccc(-c2c[nH]c3[nH+]ccc(N4CCC[C@@H](O)C4)c23)c1 ZINC000584598768 337370593 /nfs/dbraw/zinc/37/05/93/337370593.db2.gz HXQZQGAYLZDSQO-OAHLLOKOSA-N 1 1 318.380 3.063 10 30 DGEEMO N#Cc1ccc(F)c(-c2c[nH]c3[nH+]ccc(N4CCOCC4)c23)c1 ZINC000584599459 337370712 /nfs/dbraw/zinc/37/07/12/337370712.db2.gz DIWFSJOVEQJDOI-UHFFFAOYSA-N 1 1 322.343 3.077 10 30 DGEEMO C=C(C)C[N@@H+](CCOc1ccc(F)cc1)Cc1ccc(CO)o1 ZINC000512420152 340361291 /nfs/dbraw/zinc/36/12/91/340361291.db2.gz HRAMKMHQXXTDJB-UHFFFAOYSA-N 1 1 319.376 3.368 10 30 DGEEMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000544609295 341088617 /nfs/dbraw/zinc/08/86/17/341088617.db2.gz KKSDGVWKULAIAH-MSOLQXFVSA-N 1 1 303.446 3.480 10 30 DGEEMO C=CCOc1ccccc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000158535931 341658901 /nfs/dbraw/zinc/65/89/01/341658901.db2.gz RHZUFFLOEPMCHQ-UHFFFAOYSA-N 1 1 324.424 3.279 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000174221278 341824960 /nfs/dbraw/zinc/82/49/60/341824960.db2.gz QWJGNIIXRUINHS-UONOGXRCSA-N 1 1 320.408 3.074 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000174223693 341825134 /nfs/dbraw/zinc/82/51/34/341825134.db2.gz URKNMXNMWDQSQN-KBPBESRZSA-N 1 1 322.424 3.298 10 30 DGEEMO C=C(CC)CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000455516945 534408257 /nfs/dbraw/zinc/40/82/57/534408257.db2.gz DELGSHYXKGQBQY-HOCLYGCPSA-N 1 1 321.490 3.396 10 30 DGEEMO C=C(CC)CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000455516946 534409200 /nfs/dbraw/zinc/40/92/00/534409200.db2.gz DELGSHYXKGQBQY-ZBFHGGJFSA-N 1 1 321.490 3.396 10 30 DGEEMO C=CCC1(CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CCCC1 ZINC000459055324 534600103 /nfs/dbraw/zinc/60/01/03/534600103.db2.gz UYQLXNFDQZFTEX-IRXDYDNUSA-N 1 1 321.509 3.495 10 30 DGEEMO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1nnc(-c2ccccc2F)s1 ZINC000451610029 534610844 /nfs/dbraw/zinc/61/08/44/534610844.db2.gz RIJULENCDCKMID-HONMWMINSA-N 1 1 319.405 3.338 10 30 DGEEMO C=CC[N@H+](CCCn1ccnc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000342860521 526275331 /nfs/dbraw/zinc/27/53/31/526275331.db2.gz OZVUZDYPJJOURD-UHFFFAOYSA-N 1 1 314.389 3.178 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000185368251 526714832 /nfs/dbraw/zinc/71/48/32/526714832.db2.gz NHZKJDGMRBBWIW-INIZCTEOSA-N 1 1 316.445 3.102 10 30 DGEEMO C=C(C)Cn1c(C(C)C)nnc1N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000359101137 526720674 /nfs/dbraw/zinc/72/06/74/526720674.db2.gz JQEZTKSUVQPKJR-HZPDHXFCSA-N 1 1 319.497 3.144 10 30 DGEEMO C=C(C)[C@H]([NH2+]CC(=O)Nc1ccncc1)c1ccc(F)c(F)c1 ZINC000187779236 526820691 /nfs/dbraw/zinc/82/06/91/526820691.db2.gz WXGLQUGZWBCNNW-KRWDZBQOSA-N 1 1 317.339 3.205 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2C[C@H](CC)O[C@@]3(CCOC3)C2)cc1 ZINC000355656663 526873863 /nfs/dbraw/zinc/87/38/63/526873863.db2.gz KIGOOULVSKLTOF-HKUYNNGSSA-N 1 1 317.429 3.021 10 30 DGEEMO C=CCOc1cccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415038693 526898341 /nfs/dbraw/zinc/89/83/41/526898341.db2.gz IFRZGOJGVADADF-IEBWSBKVSA-N 1 1 300.446 3.215 10 30 DGEEMO C=CCOc1cccc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c1 ZINC000180813712 526899470 /nfs/dbraw/zinc/89/94/70/526899470.db2.gz YWPVOUANRPSJRJ-BHIYHBOVSA-N 1 1 317.429 3.020 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000354559464 526931135 /nfs/dbraw/zinc/93/11/35/526931135.db2.gz FKXYKRSNWLHBPH-LJQANCHMSA-N 1 1 303.446 3.482 10 30 DGEEMO C=CC[C@@H](CC)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000337089000 527053933 /nfs/dbraw/zinc/05/39/33/527053933.db2.gz IARWFCNDWTTWJY-LLVKDONJSA-N 1 1 320.343 3.289 10 30 DGEEMO C=CCCC(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000183251405 527077955 /nfs/dbraw/zinc/07/79/55/527077955.db2.gz ZEMCSMQXJQJIBL-HKUYNNGSSA-N 1 1 314.429 3.055 10 30 DGEEMO C=CC[C@H](C)NC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000342098170 527130443 /nfs/dbraw/zinc/13/04/43/527130443.db2.gz DUOARFFNFVQVLF-FUHWJXTLSA-N 1 1 315.461 3.305 10 30 DGEEMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000359514237 527250978 /nfs/dbraw/zinc/25/09/78/527250978.db2.gz JUWCQPUBONWMOT-ZIAGYGMSSA-N 1 1 304.394 3.221 10 30 DGEEMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(N(CC)CCOC)n1 ZINC000352355059 527456427 /nfs/dbraw/zinc/45/64/27/527456427.db2.gz ATSKQWGZHIMWEQ-QGZVFWFLSA-N 1 1 303.450 3.095 10 30 DGEEMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000159059313 527464474 /nfs/dbraw/zinc/46/44/74/527464474.db2.gz RHBIDNBCNPQWLZ-AWEZNQCLSA-N 1 1 301.438 3.122 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000052034882 545691496 /nfs/dbraw/zinc/69/14/96/545691496.db2.gz XGGHOCZOLDDLDR-SFHVURJKSA-N 1 1 316.420 3.033 10 30 DGEEMO C=CCOc1cccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000245770321 546299633 /nfs/dbraw/zinc/29/96/33/546299633.db2.gz ROZKPNQRZGHJGI-HKUYNNGSSA-N 1 1 301.430 3.378 10 30 DGEEMO CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC=O ZINC000004102225 560196695 /nfs/dbraw/zinc/19/66/95/560196695.db2.gz BBVFHYCHEWCGBH-ZQIUZPCESA-N 1 1 317.429 3.238 10 30 in-vitro DGEEMO C#CCOc1ccccc1C[NH2+]CCN1[C@H](C)CCC[C@H]1C ZINC000730818365 574536814 /nfs/dbraw/zinc/53/68/14/574536814.db2.gz QBPRHUYIDFYCFB-IAGOWNOFSA-N 1 1 300.446 3.051 10 30 DGEEMO C#Cc1cccc(NC(=S)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000741493102 574557732 /nfs/dbraw/zinc/55/77/32/574557732.db2.gz ROMUXSIQEMGIOC-PBHICJAKSA-N 1 1 315.486 3.027 10 30 DGEEMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735310956 574697213 /nfs/dbraw/zinc/69/72/13/574697213.db2.gz JILXUBWGQXKMHH-CVEARBPZSA-N 1 1 322.836 3.368 10 30 DGEEMO C=CCCC[N@H+](C)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000736622935 574761711 /nfs/dbraw/zinc/76/17/11/574761711.db2.gz FDBHGHVIUZMKTG-UHFFFAOYSA-N 1 1 301.386 3.459 10 30 DGEEMO CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000741779152 574970025 /nfs/dbraw/zinc/97/00/25/574970025.db2.gz QOBJQAIMLDTONM-CVEARBPZSA-N 1 1 306.450 3.121 10 30 DGEEMO Cn1cc[nH+]c1C[C@@H](/N=C\c1cccc(O)c1O)c1ccccc1 ZINC000743044463 575032928 /nfs/dbraw/zinc/03/29/28/575032928.db2.gz KCNPSPOCAGIVHU-RDPIHGLISA-N 1 1 321.380 3.234 10 30 DGEEMO CC(N=Nc1ccc(Br)cn1)c1ccc(N)cc1 ZINC000727265262 576115737 /nfs/dbraw/zinc/11/57/37/576115737.db2.gz MKMJEZKTKSKDCC-UHFFFAOYSA-N 1 1 305.179 3.262 10 30 DGEEMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](CC(C)C)C1CC1 ZINC000131039324 625933266 /nfs/dbraw/zinc/93/32/66/625933266.db2.gz BPFJLMIPHSGHAC-UHFFFAOYSA-N 1 1 309.417 3.203 10 30 DGEEMO CC[N@@H+](Cn1c(C)nnc1-c1cccc(C#N)c1)[C@@H](C)C(C)C ZINC000131090201 625943206 /nfs/dbraw/zinc/94/32/06/625943206.db2.gz ZVCGCLHZUTXJEF-AWEZNQCLSA-N 1 1 311.433 3.449 10 30 DGEEMO C[C@@]12CN(CC3(CC#N)CC3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702276644 660718579 /nfs/dbraw/zinc/71/85/79/660718579.db2.gz SMOKRRNHNCBGOZ-RBUKOAKNSA-N 1 1 309.457 3.134 10 30 DGEEMO C[C@]12CN(Cc3ccccc3)C[C@H]1C[N@H+](CC1(CC#N)CC1)C2 ZINC000702276644 660718587 /nfs/dbraw/zinc/71/85/87/660718587.db2.gz SMOKRRNHNCBGOZ-RBUKOAKNSA-N 1 1 309.457 3.134 10 30 DGEEMO C[C@]12CN(Cc3ccccc3)C[C@H]1C[N@@H+](CC1(CC#N)CC1)C2 ZINC000702276644 660718589 /nfs/dbraw/zinc/71/85/89/660718589.db2.gz SMOKRRNHNCBGOZ-RBUKOAKNSA-N 1 1 309.457 3.134 10 30 DGEEMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000176833567 655851601 /nfs/dbraw/zinc/85/16/01/655851601.db2.gz CQIXUMYYQRBWSM-ZDUSSCGKSA-N 1 1 309.417 3.203 10 30 DGEEMO Cc1cccc(NC(=[NH2+])NC[C@@H](C2CCCCC2)N(C)C)c1 ZINC000303884213 657572045 /nfs/dbraw/zinc/57/20/45/657572045.db2.gz JABSGYHLYHGWDL-KRWDZBQOSA-N 1 1 302.466 3.232 10 30 DGEEMO Cc1cccc2nc(CNC(=[NH2+])N[C@@H](C)CCCC(C)C)[nH]c21 ZINC000305738389 657993315 /nfs/dbraw/zinc/99/33/15/657993315.db2.gz YXTUOPLIAXPSJC-AWEZNQCLSA-N 1 1 315.465 3.490 10 30 DGEEMO C=C(Cl)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181306403 659993106 /nfs/dbraw/zinc/99/31/06/659993106.db2.gz WXCBJQUJRCTAPW-CQSZACIVSA-N 1 1 302.809 3.404 10 30 DGEEMO C=C(Cl)C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181306403 659993107 /nfs/dbraw/zinc/99/31/07/659993107.db2.gz WXCBJQUJRCTAPW-CQSZACIVSA-N 1 1 302.809 3.404 10 30 DGEEMO C=CCOc1ccc(CNC[C@@H]2CCCC[N@H+]2CC)cc1OC ZINC000236829142 1176490606 /nfs/dbraw/zinc/49/06/06/1176490606.db2.gz UJIZJPAMPGLOQQ-KRWDZBQOSA-N 1 1 318.461 3.224 10 30 DGEEMO C=CCOc1ccc(CNC[C@@H]2CCCC[N@@H+]2CC)cc1OC ZINC000236829142 1176490609 /nfs/dbraw/zinc/49/06/09/1176490609.db2.gz UJIZJPAMPGLOQQ-KRWDZBQOSA-N 1 1 318.461 3.224 10 30 DGEEMO C[C@@H](Cc1ccsc1)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000081598036 1197237576 /nfs/dbraw/zinc/23/75/76/1197237576.db2.gz CCLXMTLILZGYDJ-ZDUSSCGKSA-N 1 1 313.426 3.121 10 30 DGEEMO C[C@@H](Cc1ccsc1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000081598036 1197237582 /nfs/dbraw/zinc/23/75/82/1197237582.db2.gz CCLXMTLILZGYDJ-ZDUSSCGKSA-N 1 1 313.426 3.121 10 30 DGEEMO CC[N@H+]1CCC[C@H]1CNc1cc(Br)ccc1C#N ZINC000123086828 1199352133 /nfs/dbraw/zinc/35/21/33/1199352133.db2.gz RSISDWHCPMZCSX-ZDUSSCGKSA-N 1 1 308.223 3.217 10 30 DGEEMO C[C@H](Cc1ccsc1)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000176441468 1203931066 /nfs/dbraw/zinc/93/10/66/1203931066.db2.gz GPDWPRZLJMJHTR-CYBMUJFWSA-N 1 1 313.426 3.121 10 30 DGEEMO C[C@H](Cc1ccsc1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000176441468 1203931067 /nfs/dbraw/zinc/93/10/67/1203931067.db2.gz GPDWPRZLJMJHTR-CYBMUJFWSA-N 1 1 313.426 3.121 10 30 DGEEMO C#CC[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CCCC1 ZINC000176383978 1087716733 /nfs/dbraw/zinc/71/67/33/1087716733.db2.gz WVVTTZRBEBOKIT-OAHLLOKOSA-N 1 1 306.450 3.121 10 30 DGEEMO CC[N@H+]1CCCN(c2cc(Br)ccc2C#N)[C@@H](C)C1 ZINC000320915795 1095954929 /nfs/dbraw/zinc/95/49/29/1095954929.db2.gz RGXHRIQRWMLLOH-LBPRGKRZSA-N 1 1 322.250 3.241 10 30 DGEEMO C#CCCCCC(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000723998750 1106527518 /nfs/dbraw/zinc/52/75/18/1106527518.db2.gz JKYASDSXXQVQDV-IBGZPJMESA-N 1 1 312.457 3.208 10 30 DGEEMO Cc1ccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)nc1C#N ZINC000302639189 230328953 /nfs/dbraw/zinc/32/89/53/230328953.db2.gz KXONVYXYHSEVPZ-QGZVFWFLSA-N 1 1 306.413 3.338 10 30 DGEEMO N#Cc1ccc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)o1 ZINC000092660994 185332205 /nfs/dbraw/zinc/33/22/05/185332205.db2.gz SGQZUNYRCZAAAN-UHFFFAOYSA-N 1 1 300.333 3.334 10 30 DGEEMO CC[C@H](C)[N@@H+](Cc1cc(C#CCO)cs1)Cc1ccncc1 ZINC000063846058 432007351 /nfs/dbraw/zinc/00/73/51/432007351.db2.gz NMAUXXVLATTWHD-HNNXBMFYSA-N 1 1 314.454 3.288 10 30 DGEEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C#N)ccc2C)[C@H](C)C1 ZINC000177865831 186195890 /nfs/dbraw/zinc/19/58/90/186195890.db2.gz KQPMVMMILRRJAC-PBHICJAKSA-N 1 1 314.433 3.061 10 30 DGEEMO COc1ccc(C[N@H+](C)CCc2ccccc2OC)cc1C#N ZINC000135045173 432097267 /nfs/dbraw/zinc/09/72/67/432097267.db2.gz WEKXQHQIHYHJQC-UHFFFAOYSA-N 1 1 310.397 3.250 10 30 DGEEMO N#CCCOCC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000451563718 241175426 /nfs/dbraw/zinc/17/54/26/241175426.db2.gz FFPLCVNGFRYNMB-CQSZACIVSA-N 1 1 323.234 3.169 10 30 DGEEMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246277196 432115620 /nfs/dbraw/zinc/11/56/20/432115620.db2.gz BVEWEJTYOCITCL-RDJZCZTQSA-N 1 1 306.413 3.448 10 30 DGEEMO C(#Cc1ccccc1)CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471000335 244202134 /nfs/dbraw/zinc/20/21/34/244202134.db2.gz ZMZBWBZRFWCCAU-SZPZYZBQSA-N 1 1 316.448 3.102 10 30 DGEEMO CCS[C@H]1CCCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093361764 193238453 /nfs/dbraw/zinc/23/84/53/193238453.db2.gz GJIAIMRSHMEYDV-INIZCTEOSA-N 1 1 314.458 3.314 10 30 DGEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ccc(C#N)o1 ZINC000093611350 193274178 /nfs/dbraw/zinc/27/41/78/193274178.db2.gz VXRGLIFHDBTPHU-MRXNPFEDSA-N 1 1 309.413 3.248 10 30 DGEEMO CCOCC[N@H+]1CCN([C@H](C)c2ccc(C#N)cc2)C[C@@H]1CC ZINC000246476703 432136302 /nfs/dbraw/zinc/13/63/02/432136302.db2.gz XZWKDHJEEQEWRX-APWZRJJASA-N 1 1 315.461 3.052 10 30 DGEEMO CCOCCN1CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C[C@@H]1CC ZINC000246476703 432136304 /nfs/dbraw/zinc/13/63/04/432136304.db2.gz XZWKDHJEEQEWRX-APWZRJJASA-N 1 1 315.461 3.052 10 30 DGEEMO CCOCCN1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C[C@@H]1CC ZINC000246476703 432136307 /nfs/dbraw/zinc/13/63/07/432136307.db2.gz XZWKDHJEEQEWRX-APWZRJJASA-N 1 1 315.461 3.052 10 30 DGEEMO N/C(CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1)=N/O ZINC000042546096 183282598 /nfs/dbraw/zinc/28/25/98/183282598.db2.gz SYTYNRNBRTUYNW-UHFFFAOYSA-N 1 1 302.205 3.094 10 30 DGEEMO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@@H](C)C2)c(C#N)c1C ZINC000248566025 285006206 /nfs/dbraw/zinc/00/62/06/285006206.db2.gz OWIVNJCWOYZEJH-DGCLKSJQSA-N 1 1 303.406 3.217 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccc(F)cc1C ZINC000488038600 533501454 /nfs/dbraw/zinc/50/14/54/533501454.db2.gz BUTMEVLGEVVTNS-HNNXBMFYSA-N 1 1 306.425 3.379 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C ZINC000488038600 533501460 /nfs/dbraw/zinc/50/14/60/533501460.db2.gz BUTMEVLGEVVTNS-HNNXBMFYSA-N 1 1 306.425 3.379 10 30 DGEEMO N#Cc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc2n1 ZINC000091479771 400123031 /nfs/dbraw/zinc/12/30/31/400123031.db2.gz DUMPWMBNHPHSDW-CYBMUJFWSA-N 1 1 303.369 3.214 10 30 DGEEMO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000066853086 400124660 /nfs/dbraw/zinc/12/46/60/400124660.db2.gz LHLHPVLHCZHIPL-UZLBHIALSA-N 1 1 322.408 3.399 10 30 DGEEMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000066853086 400124662 /nfs/dbraw/zinc/12/46/62/400124662.db2.gz LHLHPVLHCZHIPL-UZLBHIALSA-N 1 1 322.408 3.399 10 30 DGEEMO C=CCCC[C@H](C)[N@H+]1CCCN(c2nc(CC)ns2)CC1 ZINC000091512822 400125128 /nfs/dbraw/zinc/12/51/28/400125128.db2.gz SXNLWJKCMAKRLF-AWEZNQCLSA-N 1 1 308.495 3.357 10 30 DGEEMO C[N@@H+](CC(=O)Nc1sccc1C#N)C(C)(C)c1ccccc1 ZINC000585754711 400138385 /nfs/dbraw/zinc/13/83/85/400138385.db2.gz WLHUWRZDXJPUAE-UHFFFAOYSA-N 1 1 313.426 3.425 10 30 DGEEMO C=C(C)COc1cccc(NC(=O)N[C@@H]2CCC[N@H+](CC)C2)c1 ZINC000067320898 400161963 /nfs/dbraw/zinc/16/19/63/400161963.db2.gz DGFYCKRAGXCQBH-MRXNPFEDSA-N 1 1 317.433 3.247 10 30 DGEEMO C=CC[N@@H+](CCn1nc(C)cc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000068815947 400291894 /nfs/dbraw/zinc/29/18/94/400291894.db2.gz MAQXOYRBLXRBCJ-UHFFFAOYSA-N 1 1 314.389 3.096 10 30 DGEEMO C=CC[N@H+](CCn1nc(C)cc1C)Cc1cccc([N+](=O)[O-])c1 ZINC000068815947 400291899 /nfs/dbraw/zinc/29/18/99/400291899.db2.gz MAQXOYRBLXRBCJ-UHFFFAOYSA-N 1 1 314.389 3.096 10 30 DGEEMO CC[C@H](C#N)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000601728979 400341362 /nfs/dbraw/zinc/34/13/62/400341362.db2.gz RXCQCUQZUUUXEB-QZTJIDSGSA-N 1 1 313.445 3.097 10 30 DGEEMO C=C(C)C[C@H]([NH2+]C1CCC(OC2CCCC2)CC1)C(=O)OC ZINC000602738010 400558614 /nfs/dbraw/zinc/55/86/14/400558614.db2.gz FTYVKEQXLDWBNE-PREGVCBESA-N 1 1 309.450 3.354 10 30 DGEEMO CCCN1C(=S)SC(C)(C)[C@H]1/[N+](O)=C/c1cccs1 ZINC000143948815 400638783 /nfs/dbraw/zinc/63/87/83/400638783.db2.gz MYNBYMHCAHQSQB-PDICVPPASA-N 1 1 315.509 3.417 10 30 DGEEMO C=CCOc1ccccc1C[NH2+]Cc1cn2cccc(C)c2n1 ZINC000076895086 400678852 /nfs/dbraw/zinc/67/88/52/400678852.db2.gz ULNIYWCFCOCYRR-UHFFFAOYSA-N 1 1 307.397 3.497 10 30 DGEEMO C=CCOc1ccccc1C[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000051188839 400696090 /nfs/dbraw/zinc/69/60/90/400696090.db2.gz DJRZCIHNTBSTIV-UHFFFAOYSA-N 1 1 314.360 3.119 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)N[C@@H](c1ccc(OC)cc1)C(C)C ZINC000605737487 400884526 /nfs/dbraw/zinc/88/45/26/400884526.db2.gz FPBZJZYIKAORBB-LJQANCHMSA-N 1 1 318.461 3.407 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC000614384741 400890221 /nfs/dbraw/zinc/89/02/21/400890221.db2.gz MHPBWIGVPWMCIV-CYBMUJFWSA-N 1 1 324.852 3.305 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)Nc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC000614384741 400890224 /nfs/dbraw/zinc/89/02/24/400890224.db2.gz MHPBWIGVPWMCIV-CYBMUJFWSA-N 1 1 324.852 3.305 10 30 DGEEMO CO[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CC[C@H]1C ZINC000188320065 400907829 /nfs/dbraw/zinc/90/78/29/400907829.db2.gz FKVVQQZIZVADNC-QAPCUYQASA-N 1 1 302.418 3.226 10 30 DGEEMO C=CCCC(C)(C)NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000620857809 400998547 /nfs/dbraw/zinc/99/85/47/400998547.db2.gz KDBDQIVWHGOHFF-UHFFFAOYSA-N 1 1 300.446 3.296 10 30 DGEEMO C=CCC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000248243266 401068574 /nfs/dbraw/zinc/06/85/74/401068574.db2.gz FUVAGZZUMKRDJG-ZWKOTPCHSA-N 1 1 307.409 3.134 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000625701590 401185708 /nfs/dbraw/zinc/18/57/08/401185708.db2.gz KTCXPYQTMWCDMS-ZDUSSCGKSA-N 1 1 302.809 3.319 10 30 DGEEMO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000625701839 401186045 /nfs/dbraw/zinc/18/60/45/401186045.db2.gz BYXKHZRPDCRBIN-LBPRGKRZSA-N 1 1 301.415 3.133 10 30 DGEEMO C=CC[C@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000625701750 401186184 /nfs/dbraw/zinc/18/61/84/401186184.db2.gz CPBPGOVIFVKMAX-GOEBONIOSA-N 1 1 309.837 3.116 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC000625701379 401186804 /nfs/dbraw/zinc/18/68/04/401186804.db2.gz QPHZOSXOBMEVCB-ZIAGYGMSSA-N 1 1 322.399 3.382 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2cc(OC)ncc2Br)C1 ZINC000625705648 401188221 /nfs/dbraw/zinc/18/82/21/401188221.db2.gz SAFOBNLFDWLCEA-NSHDSACASA-N 1 1 311.223 3.251 10 30 DGEEMO C=C1CC(C)(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000631563441 401497841 /nfs/dbraw/zinc/49/78/41/401497841.db2.gz VIKLHEXBSDHYMZ-QGZVFWFLSA-N 1 1 312.457 3.466 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000623390577 401506479 /nfs/dbraw/zinc/50/64/79/401506479.db2.gz UIHRGJXCUGRUEY-MRXNPFEDSA-N 1 1 307.482 3.249 10 30 DGEEMO C=CCCOCCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624066351 401620559 /nfs/dbraw/zinc/62/05/59/401620559.db2.gz HEKKZKFGDBYWTI-UHFFFAOYSA-N 1 1 310.401 3.001 10 30 DGEEMO C=CC(C)(C)CCNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000624459752 401662498 /nfs/dbraw/zinc/66/24/98/401662498.db2.gz HQEMWKDCTKJWKN-MRXNPFEDSA-N 1 1 307.482 3.010 10 30 DGEEMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000624544784 401670210 /nfs/dbraw/zinc/67/02/10/401670210.db2.gz DDSVWBDEMONJBT-KSZLIROESA-N 1 1 317.477 3.286 10 30 DGEEMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000247024482 432191995 /nfs/dbraw/zinc/19/19/95/432191995.db2.gz YCXIPXNVGIWSPU-BZSNNMDCSA-N 1 1 307.409 3.041 10 30 DGEEMO C=CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000150881744 432197990 /nfs/dbraw/zinc/19/79/90/432197990.db2.gz CUZFTRAPIHHXLS-CQSZACIVSA-N 1 1 320.399 3.466 10 30 DGEEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000159999045 228244566 /nfs/dbraw/zinc/24/45/66/228244566.db2.gz JJOCYDIQUZHOEL-GOSISDBHSA-N 1 1 311.404 3.365 10 30 DGEEMO C[C@@]1(CNc2cccc(C#N)n2)CCC[N@H+]1Cc1ccccc1 ZINC000302370938 230227200 /nfs/dbraw/zinc/22/72/00/230227200.db2.gz FDSCETCBCDKREM-IBGZPJMESA-N 1 1 306.413 3.420 10 30 DGEEMO CCN(Cc1ccc(C#N)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184801701 266137029 /nfs/dbraw/zinc/13/70/29/266137029.db2.gz VQTYXLQGDCEVLE-KRWDZBQOSA-N 1 1 309.413 3.248 10 30 DGEEMO Cc1ccc(OC2CC[NH+](Cc3ccccc3C#N)CC2)nc1 ZINC000182842231 432235331 /nfs/dbraw/zinc/23/53/31/432235331.db2.gz IFAYSTOPUCWPJO-UHFFFAOYSA-N 1 1 307.397 3.305 10 30 DGEEMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H](C)c1ccc(C#N)cc1F ZINC000358555419 267156245 /nfs/dbraw/zinc/15/62/45/267156245.db2.gz KYGNYSGTEYSUEM-RBSFLKMASA-N 1 1 303.425 3.468 10 30 DGEEMO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358555419 267156247 /nfs/dbraw/zinc/15/62/47/267156247.db2.gz KYGNYSGTEYSUEM-RBSFLKMASA-N 1 1 303.425 3.468 10 30 DGEEMO Cc1cc(C#N)nc(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000376458473 267317803 /nfs/dbraw/zinc/31/78/03/267317803.db2.gz BFOHOLOTBPWLQF-RDJZCZTQSA-N 1 1 321.428 3.122 10 30 DGEEMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000191919156 274275909 /nfs/dbraw/zinc/27/59/09/274275909.db2.gz MJPIJHLMWQDJQG-KRWDZBQOSA-N 1 1 316.408 3.312 10 30 DGEEMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccco2)cc1 ZINC000116288788 431500610 /nfs/dbraw/zinc/50/06/10/431500610.db2.gz XYKUSMQIHWGPRO-MRXNPFEDSA-N 1 1 309.369 3.317 10 30 DGEEMO N#Cc1cc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)ccc1F ZINC000119533237 431704862 /nfs/dbraw/zinc/70/48/62/431704862.db2.gz LPVHSMUFVTVKGQ-OAHLLOKOSA-N 1 1 310.376 3.026 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)Nc1nc2c(cccc2OC)s1 ZINC000121090007 431744083 /nfs/dbraw/zinc/74/40/83/431744083.db2.gz RZVUHQXKGDFNQJ-UHFFFAOYSA-N 1 1 319.430 3.141 10 30 DGEEMO CC[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(C)cs1 ZINC000123662612 431871637 /nfs/dbraw/zinc/87/16/37/431871637.db2.gz WWDNNRIALRCYON-AWEZNQCLSA-N 1 1 311.414 3.212 10 30 DGEEMO C=CCN(Cc1ccccc1F)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000057869589 431993500 /nfs/dbraw/zinc/99/35/00/431993500.db2.gz DKAGDJFPLVILDJ-INIZCTEOSA-N 1 1 319.424 3.008 10 30 DGEEMO CC1(C)CCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000102950617 432000805 /nfs/dbraw/zinc/00/08/05/432000805.db2.gz QZLKVBUYHVZICC-UHFFFAOYSA-N 1 1 319.836 3.461 10 30 DGEEMO Cn1cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1C#N ZINC000248906861 432329677 /nfs/dbraw/zinc/32/96/77/432329677.db2.gz WUZYAUDNSXQOIR-GDBMZVCRSA-N 1 1 315.442 3.046 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000174221252 432330331 /nfs/dbraw/zinc/33/03/31/432330331.db2.gz QWJGNIIXRUINHS-KBPBESRZSA-N 1 1 320.408 3.074 10 30 DGEEMO C(#Cc1ccccc1)C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000192134549 432335504 /nfs/dbraw/zinc/33/55/04/432335504.db2.gz YDOTZKIUXLOLKY-QZTJIDSGSA-N 1 1 301.455 3.025 10 30 DGEEMO OC[C@@H](C1CC1)[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000192129643 432335632 /nfs/dbraw/zinc/33/56/32/432335632.db2.gz ZQGIPTDMNJYUAY-NRFANRHFSA-N 1 1 305.421 3.311 10 30 DGEEMO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)cc1C ZINC000249146247 432340905 /nfs/dbraw/zinc/34/09/05/432340905.db2.gz UDRGYVRDUXZGDJ-NXHRZFHOSA-N 1 1 312.413 3.173 10 30 DGEEMO CC[C@@H]1CN(Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000184761232 432430286 /nfs/dbraw/zinc/43/02/86/432430286.db2.gz KXVYUNKVRZPVQU-QGZVFWFLSA-N 1 1 309.413 3.248 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193197992 432457827 /nfs/dbraw/zinc/45/78/27/432457827.db2.gz OLOLXFAWBBCOGK-STQMWFEESA-N 1 1 306.372 3.074 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193197992 432457829 /nfs/dbraw/zinc/45/78/29/432457829.db2.gz OLOLXFAWBBCOGK-STQMWFEESA-N 1 1 306.372 3.074 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000186067510 432555518 /nfs/dbraw/zinc/55/55/18/432555518.db2.gz ZNNHHAPXAPVZDG-JZXOWHBKSA-N 1 1 300.446 3.225 10 30 DGEEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3C)C2)no1 ZINC000186204196 432568309 /nfs/dbraw/zinc/56/83/09/432568309.db2.gz VCIVTIURZLYWAU-MRXNPFEDSA-N 1 1 310.401 3.013 10 30 DGEEMO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000186260255 432575097 /nfs/dbraw/zinc/57/50/97/432575097.db2.gz BRLGOCUMOTZVPH-IBGZPJMESA-N 1 1 308.381 3.146 10 30 DGEEMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000186260255 432575099 /nfs/dbraw/zinc/57/50/99/432575099.db2.gz BRLGOCUMOTZVPH-IBGZPJMESA-N 1 1 308.381 3.146 10 30 DGEEMO Cn1c2ccc(C[N@H+](CCC#N)CC(C)(C)C)cc2sc1=O ZINC000195007287 432592623 /nfs/dbraw/zinc/59/26/23/432592623.db2.gz VTICXEFKKNMFNK-UHFFFAOYSA-N 1 1 317.458 3.362 10 30 DGEEMO Cn1c2ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc2sc1=O ZINC000195007287 432592628 /nfs/dbraw/zinc/59/26/28/432592628.db2.gz VTICXEFKKNMFNK-UHFFFAOYSA-N 1 1 317.458 3.362 10 30 DGEEMO FC(F)(F)c1ccc(C#CCN2CCC[N@H+](C3CC3)CC2)cc1 ZINC000177177052 432594238 /nfs/dbraw/zinc/59/42/38/432594238.db2.gz ISBSMWOEZCKXIA-UHFFFAOYSA-N 1 1 322.374 3.227 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000274296272 432648384 /nfs/dbraw/zinc/64/83/84/432648384.db2.gz DDWQSURHOXZJBU-GFCCVEGCSA-N 1 1 307.463 3.450 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000274296272 432648389 /nfs/dbraw/zinc/64/83/89/432648389.db2.gz DDWQSURHOXZJBU-GFCCVEGCSA-N 1 1 307.463 3.450 10 30 DGEEMO CN(C)Cc1cc(C[NH2+]Cc2cc(C#N)cs2)ccc1F ZINC000177702291 432652824 /nfs/dbraw/zinc/65/28/24/432652824.db2.gz HVCXVZKWGRNOCP-UHFFFAOYSA-N 1 1 303.406 3.110 10 30 DGEEMO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCN1CC(F)F ZINC000187706696 432677532 /nfs/dbraw/zinc/67/75/32/432677532.db2.gz SLWLPJJKOMWRQO-XJKSGUPXSA-N 1 1 307.388 3.281 10 30 DGEEMO CC[C@@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCN1CC(F)F ZINC000187706696 432677536 /nfs/dbraw/zinc/67/75/36/432677536.db2.gz SLWLPJJKOMWRQO-XJKSGUPXSA-N 1 1 307.388 3.281 10 30 DGEEMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1ccncc1)c1ccc(F)c(F)c1 ZINC000187779254 432684624 /nfs/dbraw/zinc/68/46/24/432684624.db2.gz WXGLQUGZWBCNNW-QGZVFWFLSA-N 1 1 317.339 3.205 10 30 DGEEMO C[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(Cl)cc1 ZINC000160808044 432742136 /nfs/dbraw/zinc/74/21/36/432742136.db2.gz ONJBJHIPTWEIBF-UHFFFAOYSA-N 1 1 310.788 3.491 10 30 DGEEMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(Cl)cc1 ZINC000160808044 432742138 /nfs/dbraw/zinc/74/21/38/432742138.db2.gz ONJBJHIPTWEIBF-UHFFFAOYSA-N 1 1 310.788 3.491 10 30 DGEEMO C[C@H]1C[N@H+](CCCSCC#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000245493193 432837267 /nfs/dbraw/zinc/83/72/67/432837267.db2.gz LAOIDNKEWAADJY-BBRMVZONSA-N 1 1 308.422 3.234 10 30 DGEEMO C[C@H]1C[N@@H+](CCCSCC#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000245493193 432837269 /nfs/dbraw/zinc/83/72/69/432837269.db2.gz LAOIDNKEWAADJY-BBRMVZONSA-N 1 1 308.422 3.234 10 30 DGEEMO C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000179013560 432796443 /nfs/dbraw/zinc/79/64/43/432796443.db2.gz PJOFTVDUSMKQJX-ROUUACIJSA-N 1 1 320.396 3.125 10 30 DGEEMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000245978530 432873615 /nfs/dbraw/zinc/87/36/15/432873615.db2.gz GPOTXNHQENVQQP-HOTGVXAUSA-N 1 1 313.426 3.275 10 30 DGEEMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2c2nccs2)cc1 ZINC000245978530 432873616 /nfs/dbraw/zinc/87/36/16/432873616.db2.gz GPOTXNHQENVQQP-HOTGVXAUSA-N 1 1 313.426 3.275 10 30 DGEEMO CC[C@H](NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)c1cccs1 ZINC000329953621 432884064 /nfs/dbraw/zinc/88/40/64/432884064.db2.gz NGWFFJLWPAHYKL-STQMWFEESA-N 1 1 318.446 3.162 10 30 DGEEMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@]1(C#N)CCC[C@H](C)C1)C2 ZINC000330122678 432893876 /nfs/dbraw/zinc/89/38/76/432893876.db2.gz HJFGOFUTOWLGFW-RVSPLBMKSA-N 1 1 300.406 3.183 10 30 DGEEMO CN(CCC#N)c1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000245536398 432840196 /nfs/dbraw/zinc/84/01/96/432840196.db2.gz HXPJIAAJNGKBGO-MOPGFXCFSA-N 1 1 313.445 3.180 10 30 DGEEMO C#CCCCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245618531 432850203 /nfs/dbraw/zinc/85/02/03/432850203.db2.gz WBAHMLMNCPYWAB-FUHWJXTLSA-N 1 1 318.848 3.395 10 30 DGEEMO C#CCCCCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245618531 432850205 /nfs/dbraw/zinc/85/02/05/432850205.db2.gz WBAHMLMNCPYWAB-FUHWJXTLSA-N 1 1 318.848 3.395 10 30 DGEEMO C=CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000245676893 432854175 /nfs/dbraw/zinc/85/41/75/432854175.db2.gz UGNIPNKVMZPTHC-QZTJIDSGSA-N 1 1 313.445 3.039 10 30 DGEEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(OCCCC#N)c1 ZINC000245719168 432858052 /nfs/dbraw/zinc/85/80/52/432858052.db2.gz HPIRVRHFFHETRI-WMZOPIPTSA-N 1 1 313.445 3.038 10 30 DGEEMO C#CCn1ccc(C[N@@H+](CC)Cc2cc(Cl)cc(C)c2O)n1 ZINC000279382297 432962128 /nfs/dbraw/zinc/96/21/28/432962128.db2.gz KIFIKJXLYVADGW-UHFFFAOYSA-N 1 1 317.820 3.206 10 30 DGEEMO C#CCn1ccc(C[N@H+](CC)Cc2cc(Cl)cc(C)c2O)n1 ZINC000279382297 432962132 /nfs/dbraw/zinc/96/21/32/432962132.db2.gz KIFIKJXLYVADGW-UHFFFAOYSA-N 1 1 317.820 3.206 10 30 DGEEMO C[C@H](NC(=O)[C@]1(C)CCCNC1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000330310796 289234854 /nfs/dbraw/zinc/23/48/54/289234854.db2.gz NNMHZTPOLRCRMO-PMUMKWKESA-N 1 1 321.465 3.353 10 30 DGEEMO C#CCCCCC(=O)NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000373142390 433102873 /nfs/dbraw/zinc/10/28/73/433102873.db2.gz STPVVQLSCOQFQD-LJQANCHMSA-N 1 1 312.457 3.003 10 30 DGEEMO N#CC1CCC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000374204621 433180401 /nfs/dbraw/zinc/18/04/01/433180401.db2.gz KLSOAONEJRRASF-JCYILVPMSA-N 1 1 317.477 3.087 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000299602242 433377967 /nfs/dbraw/zinc/37/79/67/433377967.db2.gz LOIOWUYVGIQMDT-CQSZACIVSA-N 1 1 319.474 3.009 10 30 DGEEMO C=CCC1(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCCC1 ZINC000454574868 433492938 /nfs/dbraw/zinc/49/29/38/433492938.db2.gz XMYSPTBZROTOLB-ALOPSCKCSA-N 1 1 319.493 3.437 10 30 DGEEMO Cc1cc(C#N)cc(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000342504353 433732617 /nfs/dbraw/zinc/73/26/17/433732617.db2.gz DFIVGHJEEAYFDR-MAUKXSAKSA-N 1 1 306.413 3.337 10 30 DGEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)c1cccc(C#N)n1 ZINC000301871655 433769404 /nfs/dbraw/zinc/76/94/04/433769404.db2.gz WWLPKWCOJNLTNV-APWZRJJASA-N 1 1 320.440 3.300 10 30 DGEEMO C#CCCCCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000363725055 434128474 /nfs/dbraw/zinc/12/84/74/434128474.db2.gz PEJYYXYGURXRJL-XUVXKRRUSA-N 1 1 324.468 3.207 10 30 DGEEMO N#Cc1ccncc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000378615717 434239612 /nfs/dbraw/zinc/23/96/12/434239612.db2.gz NDHWFALNVCOYDB-MOPGFXCFSA-N 1 1 318.424 3.197 10 30 DGEEMO C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328614129 434287789 /nfs/dbraw/zinc/28/77/89/434287789.db2.gz VLWAZIDSHKUWRZ-QGPMSJSTSA-N 1 1 302.418 3.205 10 30 DGEEMO C[N@H+]1CC[C@@H](CNC(=O)CCc2ccco2)[C@@H]1c1cccnc1 ZINC000328634253 434292114 /nfs/dbraw/zinc/29/21/14/434292114.db2.gz TXCVZEBZEFVXTN-YJBOKZPZSA-N 1 1 313.401 3.257 10 30 DGEEMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H]1CCCCNC1=O ZINC000328755629 434308524 /nfs/dbraw/zinc/30/85/24/434308524.db2.gz FIXYYNVYKOEUBB-XUWVNRHRSA-N 1 1 323.481 3.456 10 30 DGEEMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)C1 ZINC000328830131 434317999 /nfs/dbraw/zinc/31/79/99/434317999.db2.gz KKNMMNLQXBIRAE-OIISXLGYSA-N 1 1 321.428 3.343 10 30 DGEEMO C[C@H]([NH2+][C@H](CO)c1cccc(F)c1)c1ccc(C#N)cc1F ZINC000358576382 434397766 /nfs/dbraw/zinc/39/77/66/434397766.db2.gz UCYNLZQXJNWKPT-APPDUMDISA-N 1 1 302.324 3.221 10 30 DGEEMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000424295480 434682361 /nfs/dbraw/zinc/68/23/61/434682361.db2.gz MVBMSBCZZRRHSF-GTAWCEEGSA-N 1 1 314.473 3.078 10 30 DGEEMO C=CCN1CC[C@H]([N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)C1=O ZINC000411992568 434852187 /nfs/dbraw/zinc/85/21/87/434852187.db2.gz VKGDZLFGCMWBBI-MSOLQXFVSA-N 1 1 310.441 3.043 10 30 DGEEMO C=CCOc1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527806422 435015743 /nfs/dbraw/zinc/01/57/43/435015743.db2.gz KKKYTMUPYGYTJA-SFHVURJKSA-N 1 1 300.446 3.358 10 30 DGEEMO C=CCOc1ccc(CNC[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527806422 435015746 /nfs/dbraw/zinc/01/57/46/435015746.db2.gz KKKYTMUPYGYTJA-SFHVURJKSA-N 1 1 300.446 3.358 10 30 DGEEMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](c3cccc(F)c3)C2(C)C)C1=O ZINC000528773086 435029087 /nfs/dbraw/zinc/02/90/87/435029087.db2.gz GTGBLLFWTUCCIU-SJORKVTESA-N 1 1 316.420 3.181 10 30 DGEEMO CC#CCCCC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000493036893 435097082 /nfs/dbraw/zinc/09/70/82/435097082.db2.gz WZPPORFKPMERSR-HXUWFJFHSA-N 1 1 312.457 3.351 10 30 DGEEMO C=CCCc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000558638014 435101119 /nfs/dbraw/zinc/10/11/19/435101119.db2.gz DMDQWGFYJQZVME-HNNXBMFYSA-N 1 1 301.434 3.269 10 30 DGEEMO C=CCOc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000565117628 435278074 /nfs/dbraw/zinc/27/80/74/435278074.db2.gz VRRYFWRTFHAEDN-PKOBYXMFSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCOc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000565117628 435278081 /nfs/dbraw/zinc/27/80/81/435278081.db2.gz VRRYFWRTFHAEDN-PKOBYXMFSA-N 1 1 300.446 3.168 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000565854518 435283426 /nfs/dbraw/zinc/28/34/26/435283426.db2.gz OERKVLOFBATTBQ-JZXOWHBKSA-N 1 1 300.446 3.368 10 30 DGEEMO C=CCCC[N@@H+](C)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000536681187 435402965 /nfs/dbraw/zinc/40/29/65/435402965.db2.gz RVAFKKFGKCVICD-UHFFFAOYSA-N 1 1 308.788 3.458 10 30 DGEEMO C=CCCC[N@H+](C)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000536681187 435402970 /nfs/dbraw/zinc/40/29/70/435402970.db2.gz RVAFKKFGKCVICD-UHFFFAOYSA-N 1 1 308.788 3.458 10 30 DGEEMO C=CCCCCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000568881229 435479829 /nfs/dbraw/zinc/47/98/29/435479829.db2.gz PWBVYUUCKAUHNF-AEFFLSMTSA-N 1 1 319.493 3.391 10 30 DGEEMO C=CCN(CCc1ccccc1)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000539784347 435568494 /nfs/dbraw/zinc/56/84/94/435568494.db2.gz BHERGNVCFOJYDG-UHFFFAOYSA-N 1 1 323.440 3.019 10 30 DGEEMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNc2ccncc2C#N)C1 ZINC000547826624 314399777 /nfs/dbraw/zinc/39/97/77/314399777.db2.gz PRXCASQUAXKETH-MRXNPFEDSA-N 1 1 320.440 3.219 10 30 DGEEMO N#Cc1ccc(C(F)(F)F)nc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000577016530 316193295 /nfs/dbraw/zinc/19/32/95/316193295.db2.gz LTTYRUHYGZXNMY-CYBMUJFWSA-N 1 1 324.350 3.401 10 30 DGEEMO C=C(Cl)CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000364056351 333228913 /nfs/dbraw/zinc/22/89/13/333228913.db2.gz ONPVNBMJOVZXQC-LBPRGKRZSA-N 1 1 318.808 3.293 10 30 DGEEMO CC(=O)c1ccc2c(c1)CC[N@@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000535211116 334378812 /nfs/dbraw/zinc/37/88/12/334378812.db2.gz KORLHQIPOOPOSU-UHFFFAOYSA-N 1 1 321.395 3.481 10 30 DGEEMO CC(=O)c1ccc2c(c1)CC[N@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000535211116 334378815 /nfs/dbraw/zinc/37/88/15/334378815.db2.gz KORLHQIPOOPOSU-UHFFFAOYSA-N 1 1 321.395 3.481 10 30 DGEEMO C=CCOc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000552268479 341382480 /nfs/dbraw/zinc/38/24/80/341382480.db2.gz KVMFBCVMPYSRLS-KZNAEPCWSA-N 1 1 300.446 3.214 10 30 DGEEMO C=CCOc1ccccc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000552268479 341382481 /nfs/dbraw/zinc/38/24/81/341382481.db2.gz KVMFBCVMPYSRLS-KZNAEPCWSA-N 1 1 300.446 3.214 10 30 DGEEMO C=CC[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000249599532 341399798 /nfs/dbraw/zinc/39/97/98/341399798.db2.gz XULBDEHEXCZFMA-FUHWJXTLSA-N 1 1 300.446 3.337 10 30 DGEEMO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c(SC)cc1OC ZINC000086506747 533896734 /nfs/dbraw/zinc/89/67/34/533896734.db2.gz PICMAKMHPFIHNI-DGCLKSJQSA-N 1 1 306.431 3.208 10 30 DGEEMO C=CC[C@H](C)NC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000488921567 534334513 /nfs/dbraw/zinc/33/45/13/534334513.db2.gz ROIBBPSMBPSZQB-QFBILLFUSA-N 1 1 315.461 3.305 10 30 DGEEMO C=CCC1(CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)CCCC1 ZINC000459055318 534598403 /nfs/dbraw/zinc/59/84/03/534598403.db2.gz UYQLXNFDQZFTEX-DLBZAZTESA-N 1 1 321.509 3.495 10 30 DGEEMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H](O)CC1CCCC1 ZINC000352814775 526559114 /nfs/dbraw/zinc/55/91/14/526559114.db2.gz JOFJMCTYNDQZKW-INIZCTEOSA-N 1 1 307.434 3.091 10 30 DGEEMO N#Cc1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000160180948 526609060 /nfs/dbraw/zinc/60/90/60/526609060.db2.gz VRSZXBLFVZLVJA-MRXNPFEDSA-N 1 1 312.369 3.038 10 30 DGEEMO C=CCOc1ccc(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000341051557 526845389 /nfs/dbraw/zinc/84/53/89/526845389.db2.gz FCHPUUTXDAGOHG-IYBDPMFKSA-N 1 1 316.445 3.244 10 30 DGEEMO C=CCOc1ccc(C[N@H+](C[C@@H](C)C(=O)OC)C2CC2)cc1 ZINC000357217643 526862744 /nfs/dbraw/zinc/86/27/44/526862744.db2.gz VFEVRVVEAMCWGH-CQSZACIVSA-N 1 1 303.402 3.025 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000355164545 526931538 /nfs/dbraw/zinc/93/15/38/526931538.db2.gz ODJOBRIGIKROPY-MRXNPFEDSA-N 1 1 312.417 3.058 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000355164545 526931543 /nfs/dbraw/zinc/93/15/43/526931543.db2.gz ODJOBRIGIKROPY-MRXNPFEDSA-N 1 1 312.417 3.058 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000355164545 526931546 /nfs/dbraw/zinc/93/15/46/526931546.db2.gz ODJOBRIGIKROPY-MRXNPFEDSA-N 1 1 312.417 3.058 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000355164545 526931551 /nfs/dbraw/zinc/93/15/51/526931551.db2.gz ODJOBRIGIKROPY-MRXNPFEDSA-N 1 1 312.417 3.058 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000355164545 526931557 /nfs/dbraw/zinc/93/15/57/526931557.db2.gz ODJOBRIGIKROPY-MRXNPFEDSA-N 1 1 312.417 3.058 10 30 DGEEMO C=CCCC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000342575018 527077487 /nfs/dbraw/zinc/07/74/87/527077487.db2.gz VIYPPXZRHSLRBS-UHFFFAOYSA-N 1 1 311.223 3.415 10 30 DGEEMO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000130911320 527115417 /nfs/dbraw/zinc/11/54/17/527115417.db2.gz XYAWVDBJIHGCPU-GJZGRUSLSA-N 1 1 324.428 3.038 10 30 DGEEMO C=CCCC[N@H+](C)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000341888320 527191539 /nfs/dbraw/zinc/19/15/39/527191539.db2.gz IUZZOTPJXYIJRT-IBGZPJMESA-N 1 1 302.462 3.176 10 30 DGEEMO C=CCCC[C@@H](C)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000181414357 527261553 /nfs/dbraw/zinc/26/15/53/527261553.db2.gz SMEZBBPUHTYKOK-ZBFHGGJFSA-N 1 1 304.438 3.110 10 30 DGEEMO C=CCCC[C@H](C)NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000181406378 527286110 /nfs/dbraw/zinc/28/61/10/527286110.db2.gz CONDAXWBYLHXED-HNNXBMFYSA-N 1 1 318.465 3.129 10 30 DGEEMO C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000347305535 527490018 /nfs/dbraw/zinc/49/00/18/527490018.db2.gz LUAYGKCBXYCSOQ-GJZGRUSLSA-N 1 1 305.422 3.191 10 30 DGEEMO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000347305535 527490024 /nfs/dbraw/zinc/49/00/24/527490024.db2.gz LUAYGKCBXYCSOQ-GJZGRUSLSA-N 1 1 305.422 3.191 10 30 DGEEMO CCCCCCCC[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174882552 528128275 /nfs/dbraw/zinc/12/82/75/528128275.db2.gz FVBGOOLPVHSCBJ-IBGZPJMESA-N 1 1 309.542 3.449 10 30 DGEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000328921764 546482144 /nfs/dbraw/zinc/48/21/44/546482144.db2.gz BRAGGGGURCRAOP-VDHUWJSZSA-N 1 1 311.429 3.403 10 30 DGEEMO Cc1cc(C)n([C@H](C)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000329195620 546483750 /nfs/dbraw/zinc/48/37/50/546483750.db2.gz VLFHJDGPXDVEFU-CABCVRRESA-N 1 1 304.438 3.034 10 30 DGEEMO C[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H]1CCCCO1 ZINC000735308322 574696569 /nfs/dbraw/zinc/69/65/69/574696569.db2.gz HEPJDFVTZOBBFO-OAHLLOKOSA-N 1 1 308.809 3.243 10 30 DGEEMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735310964 574697015 /nfs/dbraw/zinc/69/70/15/574697015.db2.gz JILXUBWGQXKMHH-HOTGVXAUSA-N 1 1 322.836 3.368 10 30 DGEEMO COC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735311820 574697181 /nfs/dbraw/zinc/69/71/81/574697181.db2.gz WGJZBUDQNYQZGD-ZDUSSCGKSA-N 1 1 308.809 3.101 10 30 DGEEMO C=CCCC(=O)OC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000735902268 574721557 /nfs/dbraw/zinc/72/15/57/574721557.db2.gz DHKHRWYYYFAOHK-CRAIPNDOSA-N 1 1 303.402 3.197 10 30 DGEEMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C1(c2cccc(C)c2)CCC1 ZINC000729808426 575263353 /nfs/dbraw/zinc/26/33/53/575263353.db2.gz BNOYFVYOYMGZCN-GOSISDBHSA-N 1 1 311.425 3.058 10 30 DGEEMO CCc1nc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cs1 ZINC000171768396 659297923 /nfs/dbraw/zinc/29/79/23/659297923.db2.gz ZCLPZACDKIAQQW-GFCCVEGCSA-N 1 1 301.415 3.459 10 30 DGEEMO CC(C)Cn1ccnc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000174454825 659434608 /nfs/dbraw/zinc/43/46/08/659434608.db2.gz IEPMKXDPWHKYGE-HNNXBMFYSA-N 1 1 312.417 3.120 10 30 DGEEMO C[N@@H+](CC#Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000191895487 662083284 /nfs/dbraw/zinc/08/32/84/662083284.db2.gz FYBGWSLQCZRRSO-UHFFFAOYSA-N 1 1 320.436 3.007 10 30 DGEEMO C#CC[N@H+](Cc1cc(OC)c(OC)cc1OC)C1CCCC1 ZINC000093819779 662360152 /nfs/dbraw/zinc/36/01/52/662360152.db2.gz PITJEZSVWRDARD-UHFFFAOYSA-N 1 1 303.402 3.090 10 30 DGEEMO C[C@H]1[C@H](NCC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000309801860 1199710539 /nfs/dbraw/zinc/71/05/39/1199710539.db2.gz KBWLXNNYKFWXRW-GHTZIAJQSA-N 1 1 304.437 3.291 10 30 DGEEMO C[C@H]1[C@H](NCC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000309801860 1199710542 /nfs/dbraw/zinc/71/05/42/1199710542.db2.gz KBWLXNNYKFWXRW-GHTZIAJQSA-N 1 1 304.437 3.291 10 30 DGEEMO C=CC1CC[NH+](Cc2nc(Cc3ccc(F)cc3)no2)CC1 ZINC000119681168 1200107715 /nfs/dbraw/zinc/10/77/15/1200107715.db2.gz BCNPLAVRROFCCE-UHFFFAOYSA-N 1 1 301.365 3.198 10 30 DGEEMO CC[N@@H+](CCNc1cc(Br)ccc1C#N)C1CC1 ZINC000218004706 1202539492 /nfs/dbraw/zinc/53/94/92/1202539492.db2.gz HCMATXSNXHWMBG-UHFFFAOYSA-N 1 1 308.223 3.217 10 30 DGEEMO C=CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCC)C1)c1ccccc1 ZINC000275388781 1202843866 /nfs/dbraw/zinc/84/38/66/1202843866.db2.gz XKDGSMHEOUMMCI-FUHWJXTLSA-N 1 1 300.446 3.194 10 30 DGEEMO N#Cc1ccc(Br)cc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253204375 1203820964 /nfs/dbraw/zinc/82/09/64/1203820964.db2.gz DUNBDBICLQWBST-KBPBESRZSA-N 1 1 320.234 3.359 10 30 DGEEMO C[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)c1cccc(C#N)c1 ZINC000402219737 1093992242 /nfs/dbraw/zinc/99/22/42/1093992242.db2.gz QURUPCZVVYRRJP-CQSZACIVSA-N 1 1 306.818 3.439 10 30 DGEEMO CCc1[nH+]ccn1[C@H]1CCCN(c2cc(C(C)=O)ccc2C#N)C1 ZINC000302127109 529761403 /nfs/dbraw/zinc/76/14/03/529761403.db2.gz WSKYCANUYGVPAL-KRWDZBQOSA-N 1 1 322.412 3.361 10 30 DGEEMO C=CCC[C@H](C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ccc(C)nn1 ZINC000072480467 191180999 /nfs/dbraw/zinc/18/09/99/191180999.db2.gz ZDIKFPWZHLDUND-FGTMMUONSA-N 1 1 313.445 3.397 10 30 DGEEMO N#CC1(CCC[N@@H+]2CC[C@@H](O)c3ccccc3C2)CCOCC1 ZINC000369187965 283044689 /nfs/dbraw/zinc/04/46/89/283044689.db2.gz KROZJMLIUBRSIK-GOSISDBHSA-N 1 1 314.429 3.026 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179261419 432052697 /nfs/dbraw/zinc/05/26/97/432052697.db2.gz CNXZWJQYWFVOFF-IRXDYDNUSA-N 1 1 301.434 3.039 10 30 DGEEMO N#Cc1ccc(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)o1 ZINC000180804545 199211483 /nfs/dbraw/zinc/21/14/83/199211483.db2.gz JUIOZGJIIXEVLS-LLVKDONJSA-N 1 1 324.306 3.204 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)o1 ZINC000180804545 199211485 /nfs/dbraw/zinc/21/14/85/199211485.db2.gz JUIOZGJIIXEVLS-LLVKDONJSA-N 1 1 324.306 3.204 10 30 DGEEMO C=C(C)COCC[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449189574 240059060 /nfs/dbraw/zinc/05/90/60/240059060.db2.gz PGUDDGAIRPGAFZ-GOSISDBHSA-N 1 1 316.489 3.264 10 30 DGEEMO N#Cc1ccc2ncc(C[N@H+]3CCCc4ccccc4C3)n2c1 ZINC000093085105 193202430 /nfs/dbraw/zinc/20/24/30/193202430.db2.gz PHMNQPBLPFMZLY-UHFFFAOYSA-N 1 1 302.381 3.154 10 30 DGEEMO C=CCN(CC[C@H]1CCCC[N@@H+]1C)Cc1cccc([N+](=O)[O-])c1 ZINC000472781803 244315253 /nfs/dbraw/zinc/31/52/53/244315253.db2.gz BUFRYMIAYWPAFN-QGZVFWFLSA-N 1 1 317.433 3.457 10 30 DGEEMO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093149410 193208736 /nfs/dbraw/zinc/20/87/36/193208736.db2.gz JCMOADPSZQWJLL-CQSZACIVSA-N 1 1 302.381 3.325 10 30 DGEEMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093149410 193208739 /nfs/dbraw/zinc/20/87/39/193208739.db2.gz JCMOADPSZQWJLL-CQSZACIVSA-N 1 1 302.381 3.325 10 30 DGEEMO CCc1[nH+]ccn1[C@@H]1CCCN(Cc2cc(F)ccc2C#N)C1 ZINC000160112525 197385864 /nfs/dbraw/zinc/38/58/64/197385864.db2.gz KAVIMKMTVGPTLG-QGZVFWFLSA-N 1 1 312.392 3.293 10 30 DGEEMO C=CCc1cc(CNCC[NH+](CC)CC)cc(OC)c1OCC ZINC000022937267 182342630 /nfs/dbraw/zinc/34/26/30/182342630.db2.gz ZLWKNNZXPOTUOE-UHFFFAOYSA-N 1 1 320.477 3.254 10 30 DGEEMO N/C(CC[N@H+](Cc1ccc(Cl)cc1Cl)C1CC1)=N/O ZINC000042531468 183281788 /nfs/dbraw/zinc/28/17/88/183281788.db2.gz DUGAOOIXEYFTPJ-UHFFFAOYSA-N 1 1 302.205 3.094 10 30 DGEEMO N/C(CC[N@@H+](Cc1ccc(Cl)cc1Cl)C1CC1)=N/O ZINC000042531468 183281789 /nfs/dbraw/zinc/28/17/89/183281789.db2.gz DUGAOOIXEYFTPJ-UHFFFAOYSA-N 1 1 302.205 3.094 10 30 DGEEMO C=CCC[C@H](C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ccnc(C)n1 ZINC000072434690 256546102 /nfs/dbraw/zinc/54/61/02/256546102.db2.gz XIXRRUUFYFRKAC-FGTMMUONSA-N 1 1 313.445 3.397 10 30 DGEEMO COc1cccc(/C=N/[C@@H](C)C[N@@H+](C)Cc2ccccc2)c1O ZINC000183390569 533390146 /nfs/dbraw/zinc/39/01/46/533390146.db2.gz OAAPLJOVGLHOFI-SLDJAQPHSA-N 1 1 312.413 3.340 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N(CC)CC)cc1 ZINC000092509708 400177720 /nfs/dbraw/zinc/17/77/20/400177720.db2.gz QPGYLQHHCSWRIU-SFHVURJKSA-N 1 1 316.445 3.084 10 30 DGEEMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](C1)C2(Br)Br ZINC000307169702 400128678 /nfs/dbraw/zinc/12/86/78/400128678.db2.gz YULMWLQTFAJJNG-DTWKUNHWSA-N 1 1 309.045 3.000 10 30 DGEEMO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000617042420 400291366 /nfs/dbraw/zinc/29/13/66/400291366.db2.gz QYWROXVJQQBQQM-HLLBOEOZSA-N 1 1 301.434 3.005 10 30 DGEEMO C=CC[C@H]1CCCN(C(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000617782111 400453279 /nfs/dbraw/zinc/45/32/79/400453279.db2.gz YUTHVZRKSNRYOF-KRWDZBQOSA-N 1 1 312.457 3.250 10 30 DGEEMO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000044894276 400506100 /nfs/dbraw/zinc/50/61/00/400506100.db2.gz RYISUFNRXWVNNJ-PXAZEXFGSA-N 1 1 319.836 3.141 10 30 DGEEMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000044894276 400506104 /nfs/dbraw/zinc/50/61/04/400506104.db2.gz RYISUFNRXWVNNJ-PXAZEXFGSA-N 1 1 319.836 3.141 10 30 DGEEMO N#CCc1ccc(C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)cc1 ZINC000612104127 400492944 /nfs/dbraw/zinc/49/29/44/400492944.db2.gz PKTYLJAVGNAKDA-QGZVFWFLSA-N 1 1 321.428 3.059 10 30 DGEEMO C=CCN1C(=S)SC(C)(C)[C@H]1/[N+](O)=C/c1cccs1 ZINC000138117090 400596244 /nfs/dbraw/zinc/59/62/44/400596244.db2.gz IIEYGHIPMKZZBG-PDICVPPASA-N 1 1 313.493 3.193 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000181299274 400888017 /nfs/dbraw/zinc/88/80/17/400888017.db2.gz WIPXRHJZCGRJHX-MRXNPFEDSA-N 1 1 303.450 3.115 10 30 DGEEMO C=CCCCN(C)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000605842278 400886084 /nfs/dbraw/zinc/88/60/84/400886084.db2.gz RESYDJNKYNXXSQ-UHFFFAOYSA-N 1 1 303.450 3.116 10 30 DGEEMO C=CCOc1cccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000056625092 400938927 /nfs/dbraw/zinc/93/89/27/400938927.db2.gz YDQQPBWHVLLDCO-HNNXBMFYSA-N 1 1 317.433 3.247 10 30 DGEEMO C=CC[C@H]1CCCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000624788553 400951478 /nfs/dbraw/zinc/95/14/78/400951478.db2.gz VSEJKLZFNMTTME-DOTOQJQBSA-N 1 1 305.466 3.001 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)C1 ZINC000625703957 401188419 /nfs/dbraw/zinc/18/84/19/401188419.db2.gz QFHCUDUXHIHHPH-LSDHHAIUSA-N 1 1 304.409 3.243 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(SC)cc2)C1 ZINC000625701897 401185840 /nfs/dbraw/zinc/18/58/40/401185840.db2.gz LZDBKAXWTNTPEZ-HUUCEWRRSA-N 1 1 307.459 3.046 10 30 DGEEMO C=C1CC(C)(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000631591987 401508906 /nfs/dbraw/zinc/50/89/06/401508906.db2.gz KVTNMWWDJWGTGE-MRXNPFEDSA-N 1 1 300.446 3.370 10 30 DGEEMO C=CC(C)(C)CCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000628312770 401574396 /nfs/dbraw/zinc/57/43/96/401574396.db2.gz OFDFFMWRBRNNFB-KRWDZBQOSA-N 1 1 300.446 3.227 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2c(C)nn(C)c2OCC(F)(F)F)C1 ZINC000628405641 401592073 /nfs/dbraw/zinc/59/20/73/401592073.db2.gz QIMHBBOWKUXEOJ-GFCCVEGCSA-N 1 1 317.355 3.068 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000628407141 401592696 /nfs/dbraw/zinc/59/26/96/401592696.db2.gz ZVOHIDCFZBQPOQ-LBPRGKRZSA-N 1 1 320.234 3.495 10 30 DGEEMO C=CC[N@@H+](CCOC)Cc1cccc(F)c1OCC(F)(F)F ZINC000628251292 401560382 /nfs/dbraw/zinc/56/03/82/401560382.db2.gz AOWUFICXXOVAFM-UHFFFAOYSA-N 1 1 321.314 3.401 10 30 DGEEMO C=CC[N@H+](CCOC)Cc1cccc(F)c1OCC(F)(F)F ZINC000628251292 401560384 /nfs/dbraw/zinc/56/03/84/401560384.db2.gz AOWUFICXXOVAFM-UHFFFAOYSA-N 1 1 321.314 3.401 10 30 DGEEMO C=C1CC(C)(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000632335223 401601795 /nfs/dbraw/zinc/60/17/95/401601795.db2.gz YNTYRGGDODAWCT-AEFFLSMTSA-N 1 1 312.457 3.370 10 30 DGEEMO C=CC[C@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC000628964730 401650473 /nfs/dbraw/zinc/65/04/73/401650473.db2.gz GVVAHVFMSWECEV-MOPGFXCFSA-N 1 1 312.457 3.479 10 30 DGEEMO CC[N@H+]1CCC[C@H]1CN(C)c1ccc(C#N)cc1Br ZINC000168566110 164611013 /nfs/dbraw/zinc/61/10/13/164611013.db2.gz YAUCKQGSHNVJAF-ZDUSSCGKSA-N 1 1 322.250 3.241 10 30 DGEEMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000195356077 165367543 /nfs/dbraw/zinc/36/75/43/165367543.db2.gz QRVOVHXZKSPDGU-OAHLLOKOSA-N 1 1 313.426 3.273 10 30 DGEEMO CN(Cc1cccnc1)C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000190476354 432161452 /nfs/dbraw/zinc/16/14/52/432161452.db2.gz ZPUIYOUTPZGGRG-GOSISDBHSA-N 1 1 314.477 3.165 10 30 DGEEMO C=CCCCC(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190540805 432168880 /nfs/dbraw/zinc/16/88/80/432168880.db2.gz RZZNCIWAIGIZDC-HNNXBMFYSA-N 1 1 321.490 3.088 10 30 DGEEMO Cc1ccc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)nc1C#N ZINC000302597481 230311863 /nfs/dbraw/zinc/31/18/63/230311863.db2.gz BMZWOAOXFXXIHE-IAGOWNOFSA-N 1 1 312.461 3.353 10 30 DGEEMO N#Cc1cnccc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000368382967 271151609 /nfs/dbraw/zinc/15/16/09/271151609.db2.gz LVJUFVOFEYHABD-MOPGFXCFSA-N 1 1 318.424 3.197 10 30 DGEEMO C#CCOc1ccc(CN[C@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000113315801 431343159 /nfs/dbraw/zinc/34/31/59/431343159.db2.gz AGIHDCRFWHLDJQ-HXUWFJFHSA-N 1 1 308.425 3.091 10 30 DGEEMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116294625 431498490 /nfs/dbraw/zinc/49/84/90/431498490.db2.gz HCQZPQDVYFPYPV-CZUORRHYSA-N 1 1 309.369 3.315 10 30 DGEEMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116294625 431498493 /nfs/dbraw/zinc/49/84/93/431498493.db2.gz HCQZPQDVYFPYPV-CZUORRHYSA-N 1 1 309.369 3.315 10 30 DGEEMO C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCCC2(C)C)c(OC)c1 ZINC000077383083 431591553 /nfs/dbraw/zinc/59/15/53/431591553.db2.gz JTMRDIIGUKQHLK-INIZCTEOSA-N 1 1 319.445 3.038 10 30 DGEEMO C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000026325287 431672072 /nfs/dbraw/zinc/67/20/72/431672072.db2.gz INXPZHHIYDCSNS-HOTGVXAUSA-N 1 1 321.424 3.256 10 30 DGEEMO C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000026325287 431672076 /nfs/dbraw/zinc/67/20/76/431672076.db2.gz INXPZHHIYDCSNS-HOTGVXAUSA-N 1 1 321.424 3.256 10 30 DGEEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000122811500 431845596 /nfs/dbraw/zinc/84/55/96/431845596.db2.gz XBOWNIMRSVWFKB-OAHLLOKOSA-N 1 1 300.431 3.307 10 30 DGEEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc(OCCCC#N)c1 ZINC000093437414 431913838 /nfs/dbraw/zinc/91/38/38/431913838.db2.gz HPIRVRHFFHETRI-SJLPKXTDSA-N 1 1 313.445 3.038 10 30 DGEEMO C=CCc1cc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(OC)c1O ZINC000093644160 431915438 /nfs/dbraw/zinc/91/54/38/431915438.db2.gz DERIMUBUZXWLKP-YOEHRIQHSA-N 1 1 318.461 3.044 10 30 DGEEMO C=CCc1cc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc(OC)c1O ZINC000093644160 431915441 /nfs/dbraw/zinc/91/54/41/431915441.db2.gz DERIMUBUZXWLKP-YOEHRIQHSA-N 1 1 318.461 3.044 10 30 DGEEMO C=CCc1cc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc(OC)c1O ZINC000093644160 431915444 /nfs/dbraw/zinc/91/54/44/431915444.db2.gz DERIMUBUZXWLKP-YOEHRIQHSA-N 1 1 318.461 3.044 10 30 DGEEMO C[N@@H+](CCCOc1ccccc1)Cc1cnc2ccc(C#N)cn12 ZINC000091899271 431906793 /nfs/dbraw/zinc/90/67/93/431906793.db2.gz WZZPUEQNBLJSBX-UHFFFAOYSA-N 1 1 320.396 3.107 10 30 DGEEMO C=CC[N@H+](Cc1ccco1)Cc1cc2ccccc2n(C)c1=O ZINC000055358906 431980086 /nfs/dbraw/zinc/98/00/86/431980086.db2.gz YCULVCVNGSWDTF-UHFFFAOYSA-N 1 1 308.381 3.320 10 30 DGEEMO C=CC[N@@H+](Cc1ccco1)Cc1cc2ccccc2n(C)c1=O ZINC000055358906 431980088 /nfs/dbraw/zinc/98/00/88/431980088.db2.gz YCULVCVNGSWDTF-UHFFFAOYSA-N 1 1 308.381 3.320 10 30 DGEEMO N#Cc1ccc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1F ZINC000192034398 432324598 /nfs/dbraw/zinc/32/45/98/432324598.db2.gz HHQSDWMVLREFJI-OAHLLOKOSA-N 1 1 310.376 3.026 10 30 DGEEMO C=CC[N@H+](CCO[C@H]1CCCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000193046215 432442310 /nfs/dbraw/zinc/44/23/10/432442310.db2.gz MLGIFPMNEXDDHI-KRWDZBQOSA-N 1 1 320.389 3.126 10 30 DGEEMO CN(CC[N@@H+](C)Cc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000185156615 432471478 /nfs/dbraw/zinc/47/14/78/432471478.db2.gz UPLLXQJJEGBYFH-UHFFFAOYSA-N 1 1 311.404 3.261 10 30 DGEEMO CN(CC[N@@H+](C)Cc1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000185156615 432471484 /nfs/dbraw/zinc/47/14/84/432471484.db2.gz UPLLXQJJEGBYFH-UHFFFAOYSA-N 1 1 311.404 3.261 10 30 DGEEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)o1 ZINC000193282946 432463903 /nfs/dbraw/zinc/46/39/03/432463903.db2.gz OZEMLVNTYMBNFP-RYUDHWBXSA-N 1 1 315.373 3.347 10 30 DGEEMO N#Cc1ccc2ncc(C[N@H+]3CC[C@H](Cc4ccccc4)C3)n2c1 ZINC000155088911 432538105 /nfs/dbraw/zinc/53/81/05/432538105.db2.gz CKZWJXZPSMAIQL-QGZVFWFLSA-N 1 1 316.408 3.271 10 30 DGEEMO C[C@@H]1C[C@@H](N(C)CC#Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000177292092 432608903 /nfs/dbraw/zinc/60/89/03/432608903.db2.gz IIQJTAUYKCECTC-PBHICJAKSA-N 1 1 324.390 3.471 10 30 DGEEMO CC(C)CC[N@H+](CCC#N)Cc1ccc2c(c1)sc(=O)n2C ZINC000195007269 432592129 /nfs/dbraw/zinc/59/21/29/432592129.db2.gz FRPHOGDRDBJJER-UHFFFAOYSA-N 1 1 317.458 3.362 10 30 DGEEMO CC(C)CC[N@@H+](CCC#N)Cc1ccc2c(c1)sc(=O)n2C ZINC000195007269 432592134 /nfs/dbraw/zinc/59/21/34/432592134.db2.gz FRPHOGDRDBJJER-UHFFFAOYSA-N 1 1 317.458 3.362 10 30 DGEEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C#N)ccc2C)[C@@H](C)C1 ZINC000246008707 432874479 /nfs/dbraw/zinc/87/44/79/432874479.db2.gz KQPMVMMILRRJAC-YOEHRIQHSA-N 1 1 314.433 3.061 10 30 DGEEMO C=C(CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000288131270 432888116 /nfs/dbraw/zinc/88/81/16/432888116.db2.gz XJWUCSGRYURUSY-WMZOPIPTSA-N 1 1 315.461 3.072 10 30 DGEEMO Cc1nc(CC2CC2)oc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000330017091 432888486 /nfs/dbraw/zinc/88/84/86/432888486.db2.gz QODBZXVTXRWAGE-GOOCMWNKSA-N 1 1 317.433 3.255 10 30 DGEEMO C=CCOc1cccc(C[N@@H+](C)[C@H]2CCN(CC)C[C@@H]2C)c1 ZINC000245690776 432856289 /nfs/dbraw/zinc/85/62/89/432856289.db2.gz BITLJLZNDAOOTR-LPHOPBHVSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1cccc(C[N@H+](C)[C@H]2CCN(CC)C[C@@H]2C)c1 ZINC000245690776 432856291 /nfs/dbraw/zinc/85/62/91/432856291.db2.gz BITLJLZNDAOOTR-LPHOPBHVSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1cccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000245690776 432856292 /nfs/dbraw/zinc/85/62/92/432856292.db2.gz BITLJLZNDAOOTR-LPHOPBHVSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1cccc(CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000245690776 432856293 /nfs/dbraw/zinc/85/62/93/432856293.db2.gz BITLJLZNDAOOTR-LPHOPBHVSA-N 1 1 302.462 3.414 10 30 DGEEMO CN(Cc1ccccc1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336656351 433171750 /nfs/dbraw/zinc/17/17/50/433171750.db2.gz MKEWBKANAXLAKX-FQEVSTJZSA-N 1 1 305.425 3.265 10 30 DGEEMO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccccc1C#N)CC2 ZINC000374348874 433186121 /nfs/dbraw/zinc/18/61/21/433186121.db2.gz HCUBRLHMLJIKCW-UHFFFAOYSA-N 1 1 304.393 3.362 10 30 DGEEMO C=CCNC(=O)[C@H](C)[NH+]1CCC(F)(c2ccc(Cl)cc2)CC1 ZINC000337254861 433217937 /nfs/dbraw/zinc/21/79/37/433217937.db2.gz RBAHWDYRRGZEEQ-ZDUSSCGKSA-N 1 1 324.827 3.291 10 30 DGEEMO C[C@H](NC[C@H]1[N@H+](C)CCCC1(C)C)c1ccc(C#N)cc1F ZINC000448036290 433356407 /nfs/dbraw/zinc/35/64/07/433356407.db2.gz XDXWOCVZDPGCBY-SUMWQHHRSA-N 1 1 303.425 3.468 10 30 DGEEMO C[C@H](NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccc(C#N)cc1F ZINC000448036290 433356415 /nfs/dbraw/zinc/35/64/15/433356415.db2.gz XDXWOCVZDPGCBY-SUMWQHHRSA-N 1 1 303.425 3.468 10 30 DGEEMO C=CCSc1ccccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000361767209 433382566 /nfs/dbraw/zinc/38/25/66/433382566.db2.gz CDUSGZBOCQAFNB-HNNXBMFYSA-N 1 1 316.470 3.273 10 30 DGEEMO C=CCSc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000361767213 433382890 /nfs/dbraw/zinc/38/28/90/433382890.db2.gz CDUSGZBOCQAFNB-OAHLLOKOSA-N 1 1 316.470 3.273 10 30 DGEEMO CCc1nnc(NCCC[N@H+]2CCC[C@H](C)C2)c(C#N)c1CC ZINC000301628171 433645108 /nfs/dbraw/zinc/64/51/08/433645108.db2.gz RJQBFIKJEPGWGU-AWEZNQCLSA-N 1 1 315.465 3.007 10 30 DGEEMO C#CC[C@H](NC(=O)N1CCC(c2cnc[nH]2)CC1)c1ccccc1 ZINC000376208875 433692962 /nfs/dbraw/zinc/69/29/62/433692962.db2.gz FPSHWIBWZPEQOK-KRWDZBQOSA-N 1 1 322.412 3.063 10 30 DGEEMO Cc1cc(C#N)cc(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000342504354 433732521 /nfs/dbraw/zinc/73/25/21/433732521.db2.gz DFIVGHJEEAYFDR-QAPCUYQASA-N 1 1 306.413 3.337 10 30 DGEEMO Cc1cc(C#N)nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000376458471 433745090 /nfs/dbraw/zinc/74/50/90/433745090.db2.gz BFOHOLOTBPWLQF-DOTOQJQBSA-N 1 1 321.428 3.122 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000362451421 433722887 /nfs/dbraw/zinc/72/28/87/433722887.db2.gz LQXBKQCFNBYGOI-HOTGVXAUSA-N 1 1 304.434 3.477 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000362451421 433722895 /nfs/dbraw/zinc/72/28/95/433722895.db2.gz LQXBKQCFNBYGOI-HOTGVXAUSA-N 1 1 304.434 3.477 10 30 DGEEMO C[NH+](C)[C@@H](C(=O)N1CCC(C)(C#N)CC1)c1cccc(Cl)c1 ZINC000356979414 433797908 /nfs/dbraw/zinc/79/79/08/433797908.db2.gz RXRALGOIFDRBSD-OAHLLOKOSA-N 1 1 319.836 3.095 10 30 DGEEMO Cc1ccc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc1C#N ZINC000302597480 433830517 /nfs/dbraw/zinc/83/05/17/433830517.db2.gz BMZWOAOXFXXIHE-DLBZAZTESA-N 1 1 312.461 3.353 10 30 DGEEMO C=CCOc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000457000512 433923247 /nfs/dbraw/zinc/92/32/47/433923247.db2.gz UUPZPBNYMNGIRI-LJQANCHMSA-N 1 1 322.408 3.038 10 30 DGEEMO C=CCCC[C@H](C)NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416192197 434054324 /nfs/dbraw/zinc/05/43/24/434054324.db2.gz QAMNPIQZDIPNLH-INIZCTEOSA-N 1 1 300.446 3.296 10 30 DGEEMO C#CCCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000364031611 434214100 /nfs/dbraw/zinc/21/41/00/434214100.db2.gz GWEHJDZHLJPRSI-INIZCTEOSA-N 1 1 313.445 3.023 10 30 DGEEMO CC(=O)Nc1ccn([C@H]2CC[N@@H+](Cc3ncoc3C(C)C)C2)n1 ZINC000328620887 434291052 /nfs/dbraw/zinc/29/10/52/434291052.db2.gz HIDHIWIUZJTNHB-ZDUSSCGKSA-N 1 1 317.393 3.049 10 30 DGEEMO CC(=O)Nc1ccn([C@H]2CC[N@H+](Cc3ncoc3C(C)C)C2)n1 ZINC000328620887 434291064 /nfs/dbraw/zinc/29/10/64/434291064.db2.gz HIDHIWIUZJTNHB-ZDUSSCGKSA-N 1 1 317.393 3.049 10 30 DGEEMO COc1ccc(C[N@H+]2CC[C@H](O)c3ccccc3C2)cc1C#N ZINC000368322710 434570419 /nfs/dbraw/zinc/57/04/19/434570419.db2.gz CTVQDWXODMMRFK-SFHVURJKSA-N 1 1 308.381 3.006 10 30 DGEEMO C=C(C)C[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000441218885 434763058 /nfs/dbraw/zinc/76/30/58/434763058.db2.gz UORFKOLKHUPYKI-APWZRJJASA-N 1 1 301.478 3.498 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000361115002 434801350 /nfs/dbraw/zinc/80/13/50/434801350.db2.gz VRTUWEORXOEDKS-APWZRJJASA-N 1 1 317.429 3.021 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000361115002 434801353 /nfs/dbraw/zinc/80/13/53/434801353.db2.gz VRTUWEORXOEDKS-APWZRJJASA-N 1 1 317.429 3.021 10 30 DGEEMO C(#Cc1ccccc1)C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000577029829 435058222 /nfs/dbraw/zinc/05/82/22/435058222.db2.gz FPZIKHINJKLZDT-HXUWFJFHSA-N 1 1 302.421 3.175 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000575896295 435052877 /nfs/dbraw/zinc/05/28/77/435052877.db2.gz JFJYOTCEGZIDPE-SJLPKXTDSA-N 1 1 315.461 3.257 10 30 DGEEMO C=CCCN(C)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000466765089 435092794 /nfs/dbraw/zinc/09/27/94/435092794.db2.gz FAVCWKUGFNZULY-IBGZPJMESA-N 1 1 315.461 3.259 10 30 DGEEMO C=CCC[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000467282994 435113769 /nfs/dbraw/zinc/11/37/69/435113769.db2.gz GDDPIFKGCSRJAN-NSHDSACASA-N 1 1 304.217 3.241 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)cc1 ZINC000467387155 435120800 /nfs/dbraw/zinc/12/08/00/435120800.db2.gz FGAMQMHXBIEJLK-RYQLBKOJSA-N 1 1 315.413 3.025 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)cc1 ZINC000467387155 435120802 /nfs/dbraw/zinc/12/08/02/435120802.db2.gz FGAMQMHXBIEJLK-RYQLBKOJSA-N 1 1 315.413 3.025 10 30 DGEEMO C=CCOCC[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000559154804 435122756 /nfs/dbraw/zinc/12/27/56/435122756.db2.gz GGMATLSKQCTPKY-OAGGEKHMSA-N 1 1 309.450 3.164 10 30 DGEEMO C=CCC[C@H](O)C[N@H+](CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000472763478 435140465 /nfs/dbraw/zinc/14/04/65/435140465.db2.gz ARHLQLBOPXTQBQ-IHPCNDPISA-N 1 1 316.489 3.471 10 30 DGEEMO C=CCC[C@H](O)CN(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000472763478 435140470 /nfs/dbraw/zinc/14/04/70/435140470.db2.gz ARHLQLBOPXTQBQ-IHPCNDPISA-N 1 1 316.489 3.471 10 30 DGEEMO C=CCC[C@H](O)CN(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000472763478 435140474 /nfs/dbraw/zinc/14/04/74/435140474.db2.gz ARHLQLBOPXTQBQ-IHPCNDPISA-N 1 1 316.489 3.471 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000535806056 435354965 /nfs/dbraw/zinc/35/49/65/435354965.db2.gz CDAQGQXKMGQDMG-AEFFLSMTSA-N 1 1 301.430 3.500 10 30 DGEEMO C=CCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000535809803 435357107 /nfs/dbraw/zinc/35/71/07/435357107.db2.gz JDMPARIFEJYGAV-ROUUACIJSA-N 1 1 301.430 3.500 10 30 DGEEMO C=CCOc1ccccc1CN(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000539817331 435571276 /nfs/dbraw/zinc/57/12/76/435571276.db2.gz NSMAKJGEQAXRIC-WMZOPIPTSA-N 1 1 302.462 3.414 10 30 DGEEMO CC[C@H]1CN(c2ccncc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000547834843 435651633 /nfs/dbraw/zinc/65/16/33/435651633.db2.gz BMUXJLYMJJWPNP-SFHVURJKSA-N 1 1 306.413 3.054 10 30 DGEEMO C=CCCn1cc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)nn1 ZINC000527795828 337764481 /nfs/dbraw/zinc/76/44/81/337764481.db2.gz TZLIYFUCPORLSF-INIZCTEOSA-N 1 1 302.809 3.285 10 30 DGEEMO C=CCCC[C@@H](C)[N@H+]1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000459510546 339033319 /nfs/dbraw/zinc/03/33/19/339033319.db2.gz WSUAABZWWYOMQN-KGLIPLIRSA-N 1 1 307.463 3.034 10 30 DGEEMO C=CC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000134251630 341210978 /nfs/dbraw/zinc/21/09/78/341210978.db2.gz FCALLUCPUZILIX-APHBMKBZSA-N 1 1 321.852 3.349 10 30 DGEEMO C=CC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000134251630 341210979 /nfs/dbraw/zinc/21/09/79/341210979.db2.gz FCALLUCPUZILIX-APHBMKBZSA-N 1 1 321.852 3.349 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)Nc1nc2ccc(F)cc2s1 ZINC000076737556 341213311 /nfs/dbraw/zinc/21/33/11/341213311.db2.gz DYBJKMNNVCPNBS-UHFFFAOYSA-N 1 1 307.394 3.272 10 30 DGEEMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCC2(C)C)c1C ZINC000077483572 341225475 /nfs/dbraw/zinc/22/54/75/341225475.db2.gz DBIPELWMVDHYHG-UHFFFAOYSA-N 1 1 313.445 3.425 10 30 DGEEMO C=CC[C@@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000249599534 341399777 /nfs/dbraw/zinc/39/97/77/341399777.db2.gz XULBDEHEXCZFMA-SJLPKXTDSA-N 1 1 300.446 3.337 10 30 DGEEMO Cc1oc(NC(=O)C[N@H+]2CC[C@H](C)C[C@H](C)C2)c(C#N)c1C ZINC000127534166 534546951 /nfs/dbraw/zinc/54/69/51/534546951.db2.gz IEJDNIPMDCCHEZ-RYUDHWBXSA-N 1 1 303.406 3.075 10 30 DGEEMO Cc1oc(NC(=O)C[N@@H+]2CC[C@H](C)C[C@H](C)C2)c(C#N)c1C ZINC000127534166 534546954 /nfs/dbraw/zinc/54/69/54/534546954.db2.gz IEJDNIPMDCCHEZ-RYUDHWBXSA-N 1 1 303.406 3.075 10 30 DGEEMO Clc1ccc(C#CCN2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000177116086 534638013 /nfs/dbraw/zinc/63/80/13/534638013.db2.gz KCERKOUYNLFZJZ-UHFFFAOYSA-N 1 1 316.876 3.499 10 30 DGEEMO N#Cc1csc(C[N@H+]2CC[C@H](n3cnc4c3CCCC4)C2)c1 ZINC000299738491 534830145 /nfs/dbraw/zinc/83/01/45/534830145.db2.gz BKWTVPKCFOKHCO-AWEZNQCLSA-N 1 1 312.442 3.142 10 30 DGEEMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000337254322 526765055 /nfs/dbraw/zinc/76/50/55/526765055.db2.gz QDSKNQQKYLMGGC-HOCLYGCPSA-N 1 1 322.836 3.321 10 30 DGEEMO C=CCOc1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415038508 526866136 /nfs/dbraw/zinc/86/61/36/526866136.db2.gz HVXNTYLCAIMRLS-HKUYNNGSSA-N 1 1 300.446 3.215 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)cc1 ZINC000354564427 526867363 /nfs/dbraw/zinc/86/73/63/526867363.db2.gz KNTDELJDCNRZJE-IBGZPJMESA-N 1 1 303.446 3.482 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)cc1 ZINC000355644866 526875486 /nfs/dbraw/zinc/87/54/86/526875486.db2.gz BJRXYZYNDSRFOQ-IBGZPJMESA-N 1 1 317.429 3.021 10 30 DGEEMO C=CCOc1ccccc1C[N@H+](CCCO)Cc1ccccn1 ZINC000349313078 526928921 /nfs/dbraw/zinc/92/89/21/526928921.db2.gz GRALIXXDDRJZTK-UHFFFAOYSA-N 1 1 312.413 3.031 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+](CCCO)Cc1ccccn1 ZINC000349313078 526928925 /nfs/dbraw/zinc/92/89/25/526928925.db2.gz GRALIXXDDRJZTK-UHFFFAOYSA-N 1 1 312.413 3.031 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000355647507 526935080 /nfs/dbraw/zinc/93/50/80/526935080.db2.gz HGORPULIKCRMFD-IBGZPJMESA-N 1 1 317.429 3.021 10 30 DGEEMO C=CCCC[C@@H](C)[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000340944645 527251077 /nfs/dbraw/zinc/25/10/77/527251077.db2.gz AXSWEFNMAZAYPC-CQSZACIVSA-N 1 1 322.474 3.161 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000444698652 527632853 /nfs/dbraw/zinc/63/28/53/527632853.db2.gz CYHYIWNEXOJEMY-KRWDZBQOSA-N 1 1 300.446 3.324 10 30 DGEEMO CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000444786683 527916599 /nfs/dbraw/zinc/91/65/99/527916599.db2.gz OMKSJLXPJDFRKI-SFHVURJKSA-N 1 1 300.402 3.256 10 30 DGEEMO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000444786683 527916605 /nfs/dbraw/zinc/91/66/05/527916605.db2.gz OMKSJLXPJDFRKI-SFHVURJKSA-N 1 1 300.402 3.256 10 30 DGEEMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CCCSCC#N ZINC000184019145 529301389 /nfs/dbraw/zinc/30/13/89/529301389.db2.gz HVNOWVHIWRVQMU-INIZCTEOSA-N 1 1 303.475 3.234 10 30 DGEEMO CC[C@](C)(C#N)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000354831723 529349509 /nfs/dbraw/zinc/34/95/09/529349509.db2.gz ZOGIITSUYNKTMP-RTBURBONSA-N 1 1 313.445 3.097 10 30 DGEEMO CC[N@H+]1CCC[C@H](NC(=O)CSc2nccn2C(C)(C)C)C1 ZINC000329158998 546483431 /nfs/dbraw/zinc/48/34/31/546483431.db2.gz XGZVGPYKPHXHNA-ZDUSSCGKSA-N 1 1 324.494 3.171 10 30 DGEEMO N#CCOc1ccc(Cl)cc1CO[NH+]=C(N)C1CCCC1 ZINC000735302758 574695945 /nfs/dbraw/zinc/69/59/45/574695945.db2.gz FCLLAGFEZONEPH-UHFFFAOYSA-N 1 1 307.781 3.431 10 30 DGEEMO Cc1ccc(N=NC(C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)nc1 ZINC000735613640 574708875 /nfs/dbraw/zinc/70/88/75/574708875.db2.gz FQCOJKNJQQVJBA-SFHVURJKSA-N 1 1 324.428 3.079 10 30 DGEEMO Cc1ccc(N=NC(C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)nc1 ZINC000735613640 574708878 /nfs/dbraw/zinc/70/88/78/574708878.db2.gz FQCOJKNJQQVJBA-SFHVURJKSA-N 1 1 324.428 3.079 10 30 DGEEMO Cn1cc[nH+]c1C[C@@H](/N=C/c1cccc(O)c1O)c1ccccc1 ZINC000743044465 575033140 /nfs/dbraw/zinc/03/31/40/575033140.db2.gz KCNPSPOCAGIVHU-WMRWHDLOSA-N 1 1 321.380 3.234 10 30 DGEEMO C#CCOc1ccc(C[N@@H+]2CCC[C@H](n3ccnc3CC)C2)cc1 ZINC000122908754 622427957 /nfs/dbraw/zinc/42/79/57/622427957.db2.gz WWZQSCWFJWOHHY-SFHVURJKSA-N 1 1 323.440 3.295 10 30 DGEEMO C=C(C)[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000290800043 655726590 /nfs/dbraw/zinc/72/65/90/655726590.db2.gz SXPMQBPPMODCLH-RVSPLBMKSA-N 1 1 322.399 3.429 10 30 DGEEMO C[C@@H]1CCN(Cc2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000721596854 655861960 /nfs/dbraw/zinc/86/19/60/655861960.db2.gz HFOROJOFFCISTM-QGZVFWFLSA-N 1 1 320.440 3.050 10 30 DGEEMO [NH2+]=C(NC[C@@H](c1ccccc1)N1CCCC1)NC1CCCCC1 ZINC000303787118 657563778 /nfs/dbraw/zinc/56/37/78/657563778.db2.gz SCMMBYWSDKZUJR-SFHVURJKSA-N 1 1 314.477 3.061 10 30 DGEEMO C#CC[N@@H+](CC(=O)Nc1ccc(C)cc1Cl)C1CCCC1 ZINC000155809095 661853081 /nfs/dbraw/zinc/85/30/81/661853081.db2.gz JARPISHREDIZNJ-UHFFFAOYSA-N 1 1 304.821 3.465 10 30 DGEEMO C#CC[N@H+](CC(=O)Nc1ccc(C)cc1Cl)C1CCCC1 ZINC000155809095 661853083 /nfs/dbraw/zinc/85/30/83/661853083.db2.gz JARPISHREDIZNJ-UHFFFAOYSA-N 1 1 304.821 3.465 10 30 DGEEMO C#CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)C1CCCC1 ZINC000155886239 661854499 /nfs/dbraw/zinc/85/44/99/661854499.db2.gz FOFUPGMFTZVUSQ-UHFFFAOYSA-N 1 1 308.784 3.295 10 30 DGEEMO C#CC[N@H+](CC(=O)Nc1cc(Cl)ccc1F)C1CCCC1 ZINC000155886239 661854502 /nfs/dbraw/zinc/85/45/02/661854502.db2.gz FOFUPGMFTZVUSQ-UHFFFAOYSA-N 1 1 308.784 3.295 10 30 DGEEMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000245733773 662240034 /nfs/dbraw/zinc/24/00/34/662240034.db2.gz KCHRZFRZKAKHNP-KGLIPLIRSA-N 1 1 309.417 3.061 10 30 DGEEMO C#CC[N@H+](Cc1ccc(O[C@H](C)C(=O)OC)cc1)C1CCCC1 ZINC000093819843 662360340 /nfs/dbraw/zinc/36/03/40/662360340.db2.gz FFEYDJMOXAZDEU-OAHLLOKOSA-N 1 1 315.413 3.005 10 30 DGEEMO C=CCOc1cccc(C[NH2+]Cc2nc3ccccc3n2C)c1 ZINC000237748637 1202694701 /nfs/dbraw/zinc/69/47/01/1202694701.db2.gz RODULKJCSKURFC-UHFFFAOYSA-N 1 1 307.397 3.428 10 30 DGEEMO N#Cc1ccc(OCCC[N@H+]2CCC=C(Br)C2)cc1 ZINC000404488156 1094260025 /nfs/dbraw/zinc/26/00/25/1094260025.db2.gz YEWWLKYOJOKTDD-UHFFFAOYSA-N 1 1 321.218 3.312 10 30 DGEEMO N#Cc1ccc(OCCC[N@@H+]2CCC=C(Br)C2)cc1 ZINC000404488156 1094260029 /nfs/dbraw/zinc/26/00/29/1094260029.db2.gz YEWWLKYOJOKTDD-UHFFFAOYSA-N 1 1 321.218 3.312 10 30 DGEEMO C=CC[N@H+](CCCCC1(C)OCCO1)Cc1cccc(C#N)c1 ZINC000278567914 214242879 /nfs/dbraw/zinc/24/28/79/214242879.db2.gz IYTHTVMYRPFQRE-UHFFFAOYSA-N 1 1 314.429 3.480 10 30 DGEEMO C=CCC[C@@H](C[N@@H+]1CCCN(C)CC1)Oc1ccc(Cl)cn1 ZINC000106717214 432021340 /nfs/dbraw/zinc/02/13/40/432021340.db2.gz GVTIGZHAFKRCKD-INIZCTEOSA-N 1 1 323.868 3.086 10 30 DGEEMO C=CCC[C@@H](CN1CCC[N@@H+](C)CC1)Oc1ccc(Cl)cn1 ZINC000106717214 432021343 /nfs/dbraw/zinc/02/13/43/432021343.db2.gz GVTIGZHAFKRCKD-INIZCTEOSA-N 1 1 323.868 3.086 10 30 DGEEMO C=CCC[C@@H](CN1CCC[N@H+](C)CC1)Oc1ccc(Cl)cn1 ZINC000106717214 432021344 /nfs/dbraw/zinc/02/13/44/432021344.db2.gz GVTIGZHAFKRCKD-INIZCTEOSA-N 1 1 323.868 3.086 10 30 DGEEMO N#CC1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000179605601 283050376 /nfs/dbraw/zinc/05/03/76/283050376.db2.gz RFQQATZHULGVAP-OAHLLOKOSA-N 1 1 303.793 3.069 10 30 DGEEMO Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C)CC[C@H]2C)c(C#N)c1C ZINC000246100869 432095521 /nfs/dbraw/zinc/09/55/21/432095521.db2.gz AXBNNXNGUFPKIQ-WDEREUQCSA-N 1 1 305.447 3.296 10 30 DGEEMO Cc1sc(NC(=O)C[N@H+]2C[C@@H](C)CC[C@H]2C)c(C#N)c1C ZINC000246100869 432095524 /nfs/dbraw/zinc/09/55/24/432095524.db2.gz AXBNNXNGUFPKIQ-WDEREUQCSA-N 1 1 305.447 3.296 10 30 DGEEMO C=C(C)COCC[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449189575 240058948 /nfs/dbraw/zinc/05/89/48/240058948.db2.gz PGUDDGAIRPGAFZ-SFHVURJKSA-N 1 1 316.489 3.264 10 30 DGEEMO Cc1cc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)ccc1C#N ZINC000488142234 245151952 /nfs/dbraw/zinc/15/19/52/245151952.db2.gz RCQBVODLIYZABP-UHFFFAOYSA-N 1 1 322.334 3.251 10 30 DGEEMO Cc1cc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)ccc1C#N ZINC000488142234 245151955 /nfs/dbraw/zinc/15/19/55/245151955.db2.gz RCQBVODLIYZABP-UHFFFAOYSA-N 1 1 322.334 3.251 10 30 DGEEMO CC[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000126068694 284292513 /nfs/dbraw/zinc/29/25/13/284292513.db2.gz SXPVHHRIVSMYMU-IBGZPJMESA-N 1 1 319.408 3.186 10 30 DGEEMO N#Cc1ccc(OCC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)cc1 ZINC000127977575 284359565 /nfs/dbraw/zinc/35/95/65/284359565.db2.gz KFSQTNXWEZNWAW-GOSISDBHSA-N 1 1 318.380 3.039 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190192634 432130797 /nfs/dbraw/zinc/13/07/97/432130797.db2.gz JBLZJTODFUFYFY-ZDUSSCGKSA-N 1 1 320.399 3.321 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190192634 432130802 /nfs/dbraw/zinc/13/08/02/432130802.db2.gz JBLZJTODFUFYFY-ZDUSSCGKSA-N 1 1 320.399 3.321 10 30 DGEEMO CC(C)[N@@H+](CCC#N)CCOc1cccc(Br)c1 ZINC000042529989 183280875 /nfs/dbraw/zinc/28/08/75/183280875.db2.gz ZXUPTNOECDYBQM-UHFFFAOYSA-N 1 1 311.223 3.452 10 30 DGEEMO CC(C)[N@H+](CCC#N)CCOc1cccc(Br)c1 ZINC000042529989 183280877 /nfs/dbraw/zinc/28/08/77/183280877.db2.gz ZXUPTNOECDYBQM-UHFFFAOYSA-N 1 1 311.223 3.452 10 30 DGEEMO Cc1cnn([C@@H]2CCC[N@H+](Cc3cn4ccccc4c3C#N)C2)c1 ZINC000106222380 194190464 /nfs/dbraw/zinc/19/04/64/194190464.db2.gz WIEBICFREYBNDO-QGZVFWFLSA-N 1 1 319.412 3.153 10 30 DGEEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cn4ccccc4c3C#N)C2)c1 ZINC000106222380 194190466 /nfs/dbraw/zinc/19/04/66/194190466.db2.gz WIEBICFREYBNDO-QGZVFWFLSA-N 1 1 319.412 3.153 10 30 DGEEMO C=CCOC[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(F)cc2)O1 ZINC000503719104 257207958 /nfs/dbraw/zinc/20/79/58/257207958.db2.gz XVNCDTMQCTXAGO-RCCFBDPRSA-N 1 1 305.393 3.150 10 30 DGEEMO CC[N@@H+](CCc1nccs1)Cc1ccc(C#N)cc1OC ZINC000121586402 195311101 /nfs/dbraw/zinc/31/11/01/195311101.db2.gz HBRKYANRCMYUON-UHFFFAOYSA-N 1 1 301.415 3.088 10 30 DGEEMO COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000586789855 400157694 /nfs/dbraw/zinc/15/76/94/400157694.db2.gz CELHOMVOHJOFLQ-SNVBAGLBSA-N 1 1 318.373 3.396 10 30 DGEEMO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000617042419 400291022 /nfs/dbraw/zinc/29/10/22/400291022.db2.gz QYWROXVJQQBQQM-BFYDXBDKSA-N 1 1 301.434 3.005 10 30 DGEEMO C[C@@H]([NH2+]Cc1csc(-c2cnn(C)c2)n1)c1ccc(C#N)cc1 ZINC000611381642 400387470 /nfs/dbraw/zinc/38/74/70/400387470.db2.gz WGBLPMDISIUUFU-GFCCVEGCSA-N 1 1 323.425 3.266 10 30 DGEEMO C[C@H]1Cc2ccccc2N1C1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000610968380 400330113 /nfs/dbraw/zinc/33/01/13/400330113.db2.gz FUMOCPDSCJDMJF-IRXDYDNUSA-N 1 1 322.456 3.346 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCCCC[C@@H]2C(=O)OC)cc1 ZINC000611606432 400428037 /nfs/dbraw/zinc/42/80/37/400428037.db2.gz OTZHKTMJOOTADW-QGZVFWFLSA-N 1 1 303.402 3.169 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2C(=O)OC)cc1 ZINC000611606432 400428041 /nfs/dbraw/zinc/42/80/41/400428041.db2.gz OTZHKTMJOOTADW-QGZVFWFLSA-N 1 1 303.402 3.169 10 30 DGEEMO Cc1csc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000042656156 400438732 /nfs/dbraw/zinc/43/87/32/400438732.db2.gz ZAFDCUGFXSBGSB-UHFFFAOYSA-N 1 1 312.442 3.036 10 30 DGEEMO C=CC[N@@H+](Cc1cc(C)c(C(=O)OC)[nH]1)Cc1cccc(C#N)c1 ZINC000602457043 400468222 /nfs/dbraw/zinc/46/82/22/400468222.db2.gz YTFZVFJTSLKONF-UHFFFAOYSA-N 1 1 323.396 3.170 10 30 DGEEMO C=CC[N@H+](Cc1cc(C)c(C(=O)OC)[nH]1)Cc1cccc(C#N)c1 ZINC000602457043 400468226 /nfs/dbraw/zinc/46/82/26/400468226.db2.gz YTFZVFJTSLKONF-UHFFFAOYSA-N 1 1 323.396 3.170 10 30 DGEEMO C=CCCC[N@H+](C)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000076737094 400669576 /nfs/dbraw/zinc/66/95/76/400669576.db2.gz AKVZQYUREDEEFE-CQSZACIVSA-N 1 1 304.459 3.412 10 30 DGEEMO Cc1cc(C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)ccc1C#N ZINC000618751543 400682724 /nfs/dbraw/zinc/68/27/24/400682724.db2.gz GMGAJYDZCHGKSG-QGZVFWFLSA-N 1 1 321.428 3.173 10 30 DGEEMO C=CCCC[N@H+](C)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000077176953 400692335 /nfs/dbraw/zinc/69/23/35/400692335.db2.gz VDBVVJFFLWOXSJ-IEBWSBKVSA-N 1 1 303.446 3.340 10 30 DGEEMO C=CCC1(NC(=O)CC[N@H+]2CCc3ccccc3C2)CCCC1 ZINC000619110241 400772153 /nfs/dbraw/zinc/77/21/53/400772153.db2.gz BTNCDRVFQKYQJX-UHFFFAOYSA-N 1 1 312.457 3.440 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CCCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000625701491 401186217 /nfs/dbraw/zinc/18/62/17/401186217.db2.gz KGTVOJUMRANNGN-INIZCTEOSA-N 1 1 307.459 3.057 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)N(C)[C@H](C)c2ccccc2OC)C1 ZINC000625701406 401186679 /nfs/dbraw/zinc/18/66/79/401186679.db2.gz RDVYEXHVRMMTEZ-CVEARBPZSA-N 1 1 316.445 3.113 10 30 DGEEMO C=CC[C@H]1CC[N@@H+](Cc2cc(Br)cnc2OC)C1 ZINC000625704699 401187192 /nfs/dbraw/zinc/18/71/92/401187192.db2.gz ZWUXMRDSTQABOY-NSHDSACASA-N 1 1 311.223 3.251 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2cc(Br)cnc2OC)C1 ZINC000625704699 401187196 /nfs/dbraw/zinc/18/71/96/401187196.db2.gz ZWUXMRDSTQABOY-NSHDSACASA-N 1 1 311.223 3.251 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(SC)cc2)C1 ZINC000625703982 401187607 /nfs/dbraw/zinc/18/76/07/401187607.db2.gz QIZYIYJJMWIUKE-HNNXBMFYSA-N 1 1 318.486 3.265 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000623466478 401524479 /nfs/dbraw/zinc/52/44/79/401524479.db2.gz AUHIXSTXCNVEMS-SJORKVTESA-N 1 1 307.482 3.106 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000628406125 401591885 /nfs/dbraw/zinc/59/18/85/401591885.db2.gz CKQITKJUFBGYGE-LSDHHAIUSA-N 1 1 307.459 3.092 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000628406345 401591937 /nfs/dbraw/zinc/59/19/37/401591937.db2.gz HXPKMEKOYIVVBT-SJORKVTESA-N 1 1 300.446 3.310 10 30 DGEEMO C=CC[C@@H]1CC[N@@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000628405817 401592002 /nfs/dbraw/zinc/59/20/02/401592002.db2.gz VOOHJTVMTJJYNI-GFCCVEGCSA-N 1 1 320.234 3.495 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000628405817 401592005 /nfs/dbraw/zinc/59/20/05/401592005.db2.gz VOOHJTVMTJJYNI-GFCCVEGCSA-N 1 1 320.234 3.495 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2c(C)nn(C)c2OCC(F)(F)F)C1 ZINC000628405642 401592161 /nfs/dbraw/zinc/59/21/61/401592161.db2.gz QIMHBBOWKUXEOJ-LBPRGKRZSA-N 1 1 317.355 3.068 10 30 DGEEMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000195358652 165367728 /nfs/dbraw/zinc/36/77/28/165367728.db2.gz YICIHGZEVBJYGU-HNNXBMFYSA-N 1 1 313.426 3.273 10 30 DGEEMO Cc1nccn1CCC[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000130439701 227020970 /nfs/dbraw/zinc/02/09/70/227020970.db2.gz VLVYBGFGMZHGHI-UHFFFAOYSA-N 1 1 301.821 3.219 10 30 DGEEMO CN(C)C(=O)Sc1ccc(C[NH+]2CCC(C#N)CC2)cc1 ZINC000176899750 228320857 /nfs/dbraw/zinc/32/08/57/228320857.db2.gz FYNHPGQIVQAMQC-UHFFFAOYSA-N 1 1 303.431 3.196 10 30 DGEEMO N#C[C@H]1CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000342774695 229117505 /nfs/dbraw/zinc/11/75/05/229117505.db2.gz DVVYBBXJPLTZIS-NWJVMNJYSA-N 1 1 309.457 3.464 10 30 DGEEMO CC[NH+](CC)CC1CCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000361699158 266114089 /nfs/dbraw/zinc/11/40/89/266114089.db2.gz OUAPJAWVLVRZKR-UHFFFAOYSA-N 1 1 303.425 3.251 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182883038 432238152 /nfs/dbraw/zinc/23/81/52/432238152.db2.gz CDFRKFGOQVQCKB-CVEARBPZSA-N 1 1 307.482 3.247 10 30 DGEEMO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1c1ccco1)c1ccccc1 ZINC000116299098 431503437 /nfs/dbraw/zinc/50/34/37/431503437.db2.gz GAPYXOHXSCQDHB-KRWDZBQOSA-N 1 1 323.396 3.363 10 30 DGEEMO N#CCCN(C(=O)C[N@H+]1CCC[C@H]1c1ccco1)c1ccccc1 ZINC000116299098 431503445 /nfs/dbraw/zinc/50/34/45/431503445.db2.gz GAPYXOHXSCQDHB-KRWDZBQOSA-N 1 1 323.396 3.363 10 30 DGEEMO Cc1cc(C#N)ccc1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000122216278 280316402 /nfs/dbraw/zinc/31/64/02/280316402.db2.gz LZVXHMAJBNSFHU-MRXNPFEDSA-N 1 1 321.424 3.117 10 30 DGEEMO C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000026325284 431672656 /nfs/dbraw/zinc/67/26/56/431672656.db2.gz INXPZHHIYDCSNS-CVEARBPZSA-N 1 1 321.424 3.256 10 30 DGEEMO C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000026325284 431672667 /nfs/dbraw/zinc/67/26/67/431672667.db2.gz INXPZHHIYDCSNS-CVEARBPZSA-N 1 1 321.424 3.256 10 30 DGEEMO C=CCCC[N@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000121041891 431740025 /nfs/dbraw/zinc/74/00/25/431740025.db2.gz BAGHLWXERBPJII-UHFFFAOYSA-N 1 1 303.374 3.081 10 30 DGEEMO COc1cc(C#N)ccc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000121053788 431740229 /nfs/dbraw/zinc/74/02/29/431740229.db2.gz FRCBHWWAXXDNMF-GOSISDBHSA-N 1 1 314.429 3.490 10 30 DGEEMO C=CCOc1ccccc1C[N@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000121159762 431746877 /nfs/dbraw/zinc/74/68/77/431746877.db2.gz AUGFTCJGDSOPHS-UHFFFAOYSA-N 1 1 324.424 3.243 10 30 DGEEMO C=CCOc1cccc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000121157664 431747812 /nfs/dbraw/zinc/74/78/12/431747812.db2.gz BQYNZMOVHRWYDF-PBHICJAKSA-N 1 1 317.433 3.102 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](CCC(N)=O)Cc2ccccc2)cc1 ZINC000122073837 431810770 /nfs/dbraw/zinc/81/07/70/431810770.db2.gz YWLZXAYFDVQFOW-UHFFFAOYSA-N 1 1 324.424 3.129 10 30 DGEEMO N#Cc1ccc2ncc(C[N@@H+](C[C@H]3CCCO3)C3CCCC3)n2c1 ZINC000093665875 431916952 /nfs/dbraw/zinc/91/69/52/431916952.db2.gz ARAONUKHTYIONE-GOSISDBHSA-N 1 1 324.428 3.130 10 30 DGEEMO C[C@H](c1ccccc1)[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000098136867 431979088 /nfs/dbraw/zinc/97/90/88/431979088.db2.gz CDSDWUWRIRCWFV-MRXNPFEDSA-N 1 1 306.413 3.227 10 30 DGEEMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)COCc1ccccc1 ZINC000057950456 431995149 /nfs/dbraw/zinc/99/51/49/431995149.db2.gz PPTFDTNRQSRUPL-QGZVFWFLSA-N 1 1 317.454 3.314 10 30 DGEEMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000248880893 432325435 /nfs/dbraw/zinc/32/54/35/432325435.db2.gz DEXQGYPYZAAZDF-RHSMWYFYSA-N 1 1 321.428 3.425 10 30 DGEEMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000248894198 432327356 /nfs/dbraw/zinc/32/73/56/432327356.db2.gz GIVGHZQFVRKYFY-FSPWUOQZSA-N 1 1 312.438 3.389 10 30 DGEEMO C[N@@H+](CC#Cc1ccccc1)Cc1ccccc1N1CCOCC1 ZINC000191897052 432311035 /nfs/dbraw/zinc/31/10/35/432311035.db2.gz COJDQHIDXSROMI-UHFFFAOYSA-N 1 1 320.436 3.007 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186213628 432570079 /nfs/dbraw/zinc/57/00/79/432570079.db2.gz YBMUUJSNDIHYHJ-INIZCTEOSA-N 1 1 310.441 3.123 10 30 DGEEMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000186309442 432581029 /nfs/dbraw/zinc/58/10/29/432581029.db2.gz JGXNBRKGZOHJJV-KRWDZBQOSA-N 1 1 321.428 3.173 10 30 DGEEMO C=CCCC[N@H+](C)[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000189360289 432781738 /nfs/dbraw/zinc/78/17/38/432781738.db2.gz LJUIIWSURKIANU-QGZVFWFLSA-N 1 1 322.399 3.354 10 30 DGEEMO N#Cc1cccc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000245827396 432864544 /nfs/dbraw/zinc/86/45/44/432864544.db2.gz FUOZSBBJJYMIIV-DLBZAZTESA-N 1 1 302.443 3.045 10 30 DGEEMO CN(CCC#N)c1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000245536400 432840220 /nfs/dbraw/zinc/84/02/20/432840220.db2.gz HXPJIAAJNGKBGO-RBUKOAKNSA-N 1 1 313.445 3.180 10 30 DGEEMO C=CCC[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453336256 433098675 /nfs/dbraw/zinc/09/86/75/433098675.db2.gz AZFCGMSFJGRCAT-WTGUMLROSA-N 1 1 314.473 3.099 10 30 DGEEMO N#Cc1cnc(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000290596233 433109181 /nfs/dbraw/zinc/10/91/81/433109181.db2.gz BPOBHCPNEARQSM-QGZVFWFLSA-N 1 1 321.428 3.062 10 30 DGEEMO C=CCCCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000448236669 433376412 /nfs/dbraw/zinc/37/64/12/433376412.db2.gz CMOFDGNXMMQLDQ-UHFFFAOYSA-N 1 1 307.482 3.250 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000448368591 433396407 /nfs/dbraw/zinc/39/64/07/433396407.db2.gz WSUSYGHBZLLREA-FCEWJHQRSA-N 1 1 317.429 3.020 10 30 DGEEMO C=CCc1cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc(OC)c1O ZINC000375300376 433418021 /nfs/dbraw/zinc/41/80/21/433418021.db2.gz AGVMPPLZZJOHNC-LJQANCHMSA-N 1 1 317.429 3.132 10 30 DGEEMO C=C[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000362368292 433663609 /nfs/dbraw/zinc/66/36/09/433663609.db2.gz ACRAJCUMKWLSCZ-GUTXKFCHSA-N 1 1 307.463 3.005 10 30 DGEEMO C#CC[C@@H](NC(=O)N1CCC(c2cnc[nH]2)CC1)c1ccccc1 ZINC000376208876 433694619 /nfs/dbraw/zinc/69/46/19/433694619.db2.gz FPSHWIBWZPEQOK-QGZVFWFLSA-N 1 1 322.412 3.063 10 30 DGEEMO CC[C@@](C)(C#N)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000285164939 433917912 /nfs/dbraw/zinc/91/79/12/433917912.db2.gz PUSPWTHTLICPAV-MJGOQNOKSA-N 1 1 313.445 3.097 10 30 DGEEMO C=CCc1cccc(C(C)C)c1NC(=O)NCC(F)(F)C[NH3+] ZINC000415590013 433985419 /nfs/dbraw/zinc/98/54/19/433985419.db2.gz ZQFVNJJHNQMXPY-UHFFFAOYSA-N 1 1 311.376 3.254 10 30 DGEEMO C=CC1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)CC1 ZINC000364552812 434278821 /nfs/dbraw/zinc/27/88/21/434278821.db2.gz YXBCOOHKWSKCJV-AWEZNQCLSA-N 1 1 301.434 3.063 10 30 DGEEMO C[C@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)[N@H+]1CCC[C@@H](C)C1 ZINC000328643158 434293406 /nfs/dbraw/zinc/29/34/06/434293406.db2.gz GFDAZTXVMANUOE-KFWWJZLASA-N 1 1 309.454 3.353 10 30 DGEEMO O=C(C[C@@H]1CCCCC(=O)N1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000328775821 434309862 /nfs/dbraw/zinc/30/98/62/434309862.db2.gz IAFYTVGDLFIRLL-DZGCQCFKSA-N 1 1 307.438 3.249 10 30 DGEEMO C=C(CC)C[N@@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000358506208 434394279 /nfs/dbraw/zinc/39/42/79/434394279.db2.gz JEDWQYDOAADBMF-CYBMUJFWSA-N 1 1 306.372 3.075 10 30 DGEEMO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(C#N)cc1F ZINC000358572469 434399564 /nfs/dbraw/zinc/39/95/64/434399564.db2.gz QBLSEBYPLDJJOQ-APPDUMDISA-N 1 1 302.324 3.221 10 30 DGEEMO C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000372384866 434820475 /nfs/dbraw/zinc/82/04/75/434820475.db2.gz MZVKIOHDLLCADO-HOTGVXAUSA-N 1 1 306.450 3.121 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463029384 434941445 /nfs/dbraw/zinc/94/14/45/434941445.db2.gz OJBVZJSLIMFKPK-NRFANRHFSA-N 1 1 323.436 3.387 10 30 DGEEMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](c3ccc(F)cc3)C2(C)C)C1=O ZINC000528743954 435027616 /nfs/dbraw/zinc/02/76/16/435027616.db2.gz IJGMXWWAFYDYKP-SJORKVTESA-N 1 1 316.420 3.181 10 30 DGEEMO C=CCOc1ccc(CNCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000480933081 435401149 /nfs/dbraw/zinc/40/11/49/435401149.db2.gz JIJYGXOQVHMQNY-UHFFFAOYSA-N 1 1 302.462 3.463 10 30 DGEEMO C=CCCCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000568881230 435480137 /nfs/dbraw/zinc/48/01/37/435480137.db2.gz PWBVYUUCKAUHNF-FUHWJXTLSA-N 1 1 319.493 3.391 10 30 DGEEMO CC[NH+](CC)CC1CCN(Cc2cc(C#N)ccc2OC)CC1 ZINC000570153873 435593185 /nfs/dbraw/zinc/59/31/85/435593185.db2.gz ARGUQIPWAURUNT-UHFFFAOYSA-N 1 1 315.461 3.121 10 30 DGEEMO C=C[C@H]1CCCC[N@@H+]1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000489447079 435649842 /nfs/dbraw/zinc/64/98/42/435649842.db2.gz JOOKRWSRJCLJQS-WCWCZOKXSA-N 1 1 302.462 3.112 10 30 DGEEMO C=C[C@H]1CCCC[N@H+]1CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000489447079 435649846 /nfs/dbraw/zinc/64/98/46/435649846.db2.gz JOOKRWSRJCLJQS-WCWCZOKXSA-N 1 1 302.462 3.112 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2CC(N)=O)cc1Cl ZINC000092588326 332134775 /nfs/dbraw/zinc/13/47/75/332134775.db2.gz ZWMXSSGACLXEEU-AWEZNQCLSA-N 1 1 322.836 3.135 10 30 DGEEMO CN(CC#CC[N@@H+](C)Cc1cccs1)Cc1cccs1 ZINC000560155850 332314951 /nfs/dbraw/zinc/31/49/51/332314951.db2.gz ZEQBGDCBOURTOL-UHFFFAOYSA-N 1 1 304.484 3.377 10 30 DGEEMO C=CCC1(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CCC1 ZINC000191878148 337300738 /nfs/dbraw/zinc/30/07/38/337300738.db2.gz ZUDTWWINDAURFA-UHFFFAOYSA-N 1 1 313.445 3.221 10 30 DGEEMO C[C@H]1CN(c2cc[nH+]c3[nH]cc(-c4cccc(C#N)c4)c32)CCO1 ZINC000584598875 337370607 /nfs/dbraw/zinc/37/06/07/337370607.db2.gz PKVURXVLRYHLLM-ZDUSSCGKSA-N 1 1 318.380 3.327 10 30 DGEEMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000542248778 341001908 /nfs/dbraw/zinc/00/19/08/341001908.db2.gz WQGZDCYUPTUBOS-HZPDHXFCSA-N 1 1 303.450 3.006 10 30 DGEEMO C=CCOc1cccc(C[N@@H+](C)[C@H]2CCN(CC)C[C@H]2C)c1 ZINC000130482898 341022930 /nfs/dbraw/zinc/02/29/30/341022930.db2.gz BITLJLZNDAOOTR-APWZRJJASA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1cccc(C[N@H+](C)[C@H]2CCN(CC)C[C@H]2C)c1 ZINC000130482898 341022931 /nfs/dbraw/zinc/02/29/31/341022931.db2.gz BITLJLZNDAOOTR-APWZRJJASA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1cccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000130482898 341022932 /nfs/dbraw/zinc/02/29/32/341022932.db2.gz BITLJLZNDAOOTR-APWZRJJASA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1cccc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000130482898 341022933 /nfs/dbraw/zinc/02/29/33/341022933.db2.gz BITLJLZNDAOOTR-APWZRJJASA-N 1 1 302.462 3.414 10 30 DGEEMO CCc1ccc(C[NH+]2CCN(CCCSCC#N)CC2)s1 ZINC000074991245 341159085 /nfs/dbraw/zinc/15/90/85/341159085.db2.gz CQGWPYVLFZQYEC-UHFFFAOYSA-N 1 1 323.531 3.075 10 30 DGEEMO CC(C)[N@@H+]1C[C@@H](C)[C@H](NCc2cccc(OCCCC#N)c2)C1 ZINC000247398664 341364166 /nfs/dbraw/zinc/36/41/66/341364166.db2.gz QXJUSIBDBBBKRQ-VQIMIIECSA-N 1 1 315.461 3.187 10 30 DGEEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NCc2cccc(OCCCC#N)c2)C1 ZINC000247398664 341364167 /nfs/dbraw/zinc/36/41/67/341364167.db2.gz QXJUSIBDBBBKRQ-VQIMIIECSA-N 1 1 315.461 3.187 10 30 DGEEMO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000174014084 534218950 /nfs/dbraw/zinc/21/89/50/534218950.db2.gz FDQURPPWXREAPV-UONOGXRCSA-N 1 1 317.458 3.361 10 30 DGEEMO C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000174014084 534218954 /nfs/dbraw/zinc/21/89/54/534218954.db2.gz FDQURPPWXREAPV-UONOGXRCSA-N 1 1 317.458 3.361 10 30 DGEEMO C=CC[C@H](C)NC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000488921566 534336160 /nfs/dbraw/zinc/33/61/60/534336160.db2.gz ROIBBPSMBPSZQB-LPHOPBHVSA-N 1 1 315.461 3.305 10 30 DGEEMO C=CCC(C)(C)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000458805847 534547539 /nfs/dbraw/zinc/54/75/39/534547539.db2.gz BCFAORAJEVLGBN-CVEARBPZSA-N 1 1 307.482 3.245 10 30 DGEEMO C=CCCC[N@H+](C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000489422750 534710595 /nfs/dbraw/zinc/71/05/95/534710595.db2.gz MYYUMYUNYYMUFH-OAHLLOKOSA-N 1 1 310.800 3.482 10 30 DGEEMO C=C(C)C[N@H+](CCc1ccnn1CC)Cc1cnn(C(C)C)c1 ZINC000352913929 526553986 /nfs/dbraw/zinc/55/39/86/526553986.db2.gz IPFYGPZRWCFRLE-UHFFFAOYSA-N 1 1 315.465 3.301 10 30 DGEEMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000180128442 526741692 /nfs/dbraw/zinc/74/16/92/526741692.db2.gz PQSMAWZYHWEAOU-IBGZPJMESA-N 1 1 323.440 3.258 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](C)[C@@H](CC(C)C)C(=O)OC)cc1 ZINC000430191294 526860814 /nfs/dbraw/zinc/86/08/14/526860814.db2.gz IVVKPNRZCNFTDB-KRWDZBQOSA-N 1 1 305.418 3.271 10 30 DGEEMO C=CCOc1ccc(C[N@H+](C)[C@@H](CC(C)C)C(=O)OC)cc1 ZINC000430191294 526860818 /nfs/dbraw/zinc/86/08/18/526860818.db2.gz IVVKPNRZCNFTDB-KRWDZBQOSA-N 1 1 305.418 3.271 10 30 DGEEMO C=CCOc1cccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415038696 526897933 /nfs/dbraw/zinc/89/79/33/526897933.db2.gz IFRZGOJGVADADF-MJGOQNOKSA-N 1 1 300.446 3.215 10 30 DGEEMO C=CCOc1cccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415038690 526898136 /nfs/dbraw/zinc/89/81/36/526898136.db2.gz IFRZGOJGVADADF-HKUYNNGSSA-N 1 1 300.446 3.215 10 30 DGEEMO C=CCOc1ccccc1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000354165825 526934337 /nfs/dbraw/zinc/93/43/37/526934337.db2.gz ILIZEPCYGRWIAN-LJQANCHMSA-N 1 1 300.446 3.169 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000354165825 526934365 /nfs/dbraw/zinc/93/43/65/526934365.db2.gz ILIZEPCYGRWIAN-LJQANCHMSA-N 1 1 300.446 3.169 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000354165825 526934368 /nfs/dbraw/zinc/93/43/68/526934368.db2.gz ILIZEPCYGRWIAN-LJQANCHMSA-N 1 1 300.446 3.169 10 30 DGEEMO C=CC[C@@H]1[N@@H+](Cc2ccc(C(=O)OC)cn2)CCCC1(C)C ZINC000352405312 527119146 /nfs/dbraw/zinc/11/91/46/527119146.db2.gz HFDBNDJKWBRJEF-INIZCTEOSA-N 1 1 302.418 3.435 10 30 DGEEMO C=CCC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000338569812 527326624 /nfs/dbraw/zinc/32/66/24/527326624.db2.gz WTIXQVHMJLLNOJ-QFBILLFUSA-N 1 1 301.478 3.498 10 30 DGEEMO C=CCC[C@H](CCC)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000433075923 527468041 /nfs/dbraw/zinc/46/80/41/527468041.db2.gz IHEUXZJZUFPUGR-KRWDZBQOSA-N 1 1 315.461 3.077 10 30 DGEEMO C=CCC[C@H](CCC)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000433075923 527468045 /nfs/dbraw/zinc/46/80/45/527468045.db2.gz IHEUXZJZUFPUGR-KRWDZBQOSA-N 1 1 315.461 3.077 10 30 DGEEMO CCCCCCCCCC(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181406445 528122812 /nfs/dbraw/zinc/12/28/12/528122812.db2.gz RXDAAROPBZRQPX-KRWDZBQOSA-N 1 1 320.481 3.034 10 30 DGEEMO CC[N@@H+](C[C@H](C)C#N)C[C@H](O)COc1ccccc1C(C)C ZINC000157667680 528705451 /nfs/dbraw/zinc/70/54/51/528705451.db2.gz WTVUELXOZCLTDX-CVEARBPZSA-N 1 1 304.434 3.031 10 30 DGEEMO CC[N@H+](C[C@H](C)C#N)C[C@H](O)COc1ccccc1C(C)C ZINC000157667680 528705458 /nfs/dbraw/zinc/70/54/58/528705458.db2.gz WTVUELXOZCLTDX-CVEARBPZSA-N 1 1 304.434 3.031 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000052034879 545691776 /nfs/dbraw/zinc/69/17/76/545691776.db2.gz XGGHOCZOLDDLDR-GOSISDBHSA-N 1 1 316.420 3.033 10 30 DGEEMO CC[N@H+]1CCC[C@@H](NC(=O)CSc2nccn2C(C)(C)C)C1 ZINC000329158997 546483868 /nfs/dbraw/zinc/48/38/68/546483868.db2.gz XGZVGPYKPHXHNA-CYBMUJFWSA-N 1 1 324.494 3.171 10 30 DGEEMO C#CC[N@@H+]1CCC[C@H]1COC(=O)/C=C(/C)c1ccccc1Cl ZINC000729812184 575263728 /nfs/dbraw/zinc/26/37/28/575263728.db2.gz OGJBEKCVIOGCTM-ZSMUJPCHSA-N 1 1 317.816 3.384 10 30 DGEEMO CCOc1cccc(/C=N/C[C@H]2CCC[N@H+]2CC(C)C)c1O ZINC000129623826 625707873 /nfs/dbraw/zinc/70/78/73/625707873.db2.gz KKLVTWLJKXPJFZ-YDDPGSGASA-N 1 1 304.434 3.330 10 30 DGEEMO CC[C@@H]1CCC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000131048199 625937334 /nfs/dbraw/zinc/93/73/34/625937334.db2.gz NDGSEPDROQYJNL-OAHLLOKOSA-N 1 1 309.417 3.205 10 30 DGEEMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000072916956 660228012 /nfs/dbraw/zinc/22/80/12/660228012.db2.gz TXICOTMXYGZWGC-QGZVFWFLSA-N 1 1 323.444 3.451 10 30 DGEEMO CCCCCCCCCC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000173812917 659402584 /nfs/dbraw/zinc/40/25/84/659402584.db2.gz FNJBYNGPMDECHG-ROUUACIJSA-N 1 1 324.509 3.306 10 30 DGEEMO C#CCCOc1ccc(C[N@@H+](C)[C@H]2CCN(CC)C[C@H]2C)cc1 ZINC000093639254 660537581 /nfs/dbraw/zinc/53/75/81/660537581.db2.gz CEYMSMKWTPPUSF-XLIONFOSSA-N 1 1 314.473 3.251 10 30 DGEEMO C#CCCOc1ccc(C[N@H+](C)[C@H]2CCN(CC)C[C@H]2C)cc1 ZINC000093639254 660537582 /nfs/dbraw/zinc/53/75/82/660537582.db2.gz CEYMSMKWTPPUSF-XLIONFOSSA-N 1 1 314.473 3.251 10 30 DGEEMO C#CCCOc1ccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000093639254 660537583 /nfs/dbraw/zinc/53/75/83/660537583.db2.gz CEYMSMKWTPPUSF-XLIONFOSSA-N 1 1 314.473 3.251 10 30 DGEEMO C#CCCOc1ccc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000093639254 660537584 /nfs/dbraw/zinc/53/75/84/660537584.db2.gz CEYMSMKWTPPUSF-XLIONFOSSA-N 1 1 314.473 3.251 10 30 DGEEMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ncc(Br)s1 ZINC000714949008 661204786 /nfs/dbraw/zinc/20/47/86/661204786.db2.gz BMLTTWCWIPVEBY-MRVPVSSYSA-N 1 1 302.241 3.324 10 30 DGEEMO N#C[C@@H]1CCC[C@H]1N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716655244 661226145 /nfs/dbraw/zinc/22/61/45/661226145.db2.gz NYOMDYLVALLHMS-VYJAJWGXSA-N 1 1 309.457 3.321 10 30 DGEEMO C#CCN(Cc1ccc(F)cc1)Cc1[nH+]cc(C)c(OC)c1C ZINC000303439650 657535378 /nfs/dbraw/zinc/53/53/78/657535378.db2.gz HLXRCVSTESNQDE-UHFFFAOYSA-N 1 1 312.388 3.482 10 30 DGEEMO Cc1[nH+]ccn1CCCNc1c(C#N)cnc2cc(C)ccc21 ZINC000223147416 658964363 /nfs/dbraw/zinc/96/43/63/658964363.db2.gz GGTYNTQUSBPECL-UHFFFAOYSA-N 1 1 305.385 3.422 10 30 DGEEMO C[N@H+](Cc1ccc(Cl)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000048880165 661896787 /nfs/dbraw/zinc/89/67/87/661896787.db2.gz JSHMWVBHKWDQRB-QGZVFWFLSA-N 1 1 300.789 3.377 10 30 DGEEMO N#Cc1cc(N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)ncn1 ZINC000709623317 1176812015 /nfs/dbraw/zinc/81/20/15/1176812015.db2.gz OPPXZGAFVAYOJG-QGZVFWFLSA-N 1 1 321.428 3.205 10 30 DGEEMO C=CCOc1ccc(C[NH2+]C[C@@H](CC)N2CCCC2)cc1OC ZINC000075776424 1196420567 /nfs/dbraw/zinc/42/05/67/1196420567.db2.gz RNJJNOZFUBCXRN-QGZVFWFLSA-N 1 1 318.461 3.224 10 30 DGEEMO C[N@@H+](CCCOCc1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC000402404891 1094011709 /nfs/dbraw/zinc/01/17/09/1094011709.db2.gz TXYFALQBWXNAIQ-FQEVSTJZSA-N 1 1 324.424 3.130 10 30 DGEEMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000061891793 432003420 /nfs/dbraw/zinc/00/34/20/432003420.db2.gz DVGDMGZYMWPMHL-JSGCOSHPSA-N 1 1 306.793 3.283 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279690508 215065746 /nfs/dbraw/zinc/06/57/46/215065746.db2.gz NOQJQQUXZPTXOG-YTQUADARSA-N 1 1 312.457 3.179 10 30 DGEEMO C=CCC[C@@H](C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ncc(F)cn1 ZINC000072426860 191161496 /nfs/dbraw/zinc/16/14/96/191161496.db2.gz GSWKXRYEWAZZPY-UXLLHSPISA-N 1 1 317.408 3.227 10 30 DGEEMO N#Cc1cc(C(F)(F)F)ccc1N1CCC[N@H+](C2CC2)CC1 ZINC000176956997 283092306 /nfs/dbraw/zinc/09/23/06/283092306.db2.gz KPBOYZIJVUBFGI-UHFFFAOYSA-N 1 1 309.335 3.252 10 30 DGEEMO C=C(C)CN(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179463710 199039833 /nfs/dbraw/zinc/03/98/33/199039833.db2.gz OZMLKZDUBITLET-DLBZAZTESA-N 1 1 301.434 3.039 10 30 DGEEMO CC[N@H+](Cc1c(C)nn(C)c1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000179463831 199039922 /nfs/dbraw/zinc/03/99/22/199039922.db2.gz UBQXWPNXMSOQTR-CQSZACIVSA-N 1 1 312.417 3.192 10 30 DGEEMO CC[N@@H+](Cc1c(C)nn(C)c1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000179463831 199039924 /nfs/dbraw/zinc/03/99/24/199039924.db2.gz UBQXWPNXMSOQTR-CQSZACIVSA-N 1 1 312.417 3.192 10 30 DGEEMO Cc1ccc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)o1 ZINC000179884315 199091728 /nfs/dbraw/zinc/09/17/28/199091728.db2.gz HTSYOOOWNODZRQ-UHFFFAOYSA-N 1 1 320.396 3.492 10 30 DGEEMO Cc1cc(C#N)ccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000180198242 199129197 /nfs/dbraw/zinc/12/91/97/199129197.db2.gz ZSXLACOJPHWSIL-RBUKOAKNSA-N 1 1 319.408 3.042 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000281216189 216159959 /nfs/dbraw/zinc/15/99/59/216159959.db2.gz KAUUKZOGGIOLET-JQHSSLGASA-N 1 1 302.393 3.213 10 30 DGEEMO Cn1c2ccc(C[N@@H+](C)Cc3cccc(C#N)c3)cc2sc1=O ZINC000194985604 201322002 /nfs/dbraw/zinc/32/20/02/201322002.db2.gz ADSFETVCNPCOPL-UHFFFAOYSA-N 1 1 323.421 3.104 10 30 DGEEMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)n1 ZINC000093453325 193254060 /nfs/dbraw/zinc/25/40/60/193254060.db2.gz IUEBKYXEUZLZMX-SFHVURJKSA-N 1 1 317.396 3.247 10 30 DGEEMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cnc3ccc(C#N)cn23)n1 ZINC000093453325 193254061 /nfs/dbraw/zinc/25/40/61/193254061.db2.gz IUEBKYXEUZLZMX-SFHVURJKSA-N 1 1 317.396 3.247 10 30 DGEEMO C[C@@H]1CCN(Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000093811128 193312446 /nfs/dbraw/zinc/31/24/46/193312446.db2.gz VRRWRZPBFIYCON-MRXNPFEDSA-N 1 1 309.413 3.248 10 30 DGEEMO C=C(C)CN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000181640495 432139123 /nfs/dbraw/zinc/13/91/23/432139123.db2.gz CUQNUEQUZCOFOF-HZPDHXFCSA-N 1 1 321.852 3.303 10 30 DGEEMO C=C(C)CN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000181640495 432139125 /nfs/dbraw/zinc/13/91/25/432139125.db2.gz CUQNUEQUZCOFOF-HZPDHXFCSA-N 1 1 321.852 3.303 10 30 DGEEMO CC[N@H+]1CC[C@@H](N(C)CC#Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000246531886 432141366 /nfs/dbraw/zinc/14/13/66/432141366.db2.gz JKMHUVOCLQPBPF-MAUKXSAKSA-N 1 1 304.865 3.354 10 30 DGEEMO CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000120044752 195086750 /nfs/dbraw/zinc/08/67/50/195086750.db2.gz LFVDSNNJIUWXDY-HNNXBMFYSA-N 1 1 307.397 3.407 10 30 DGEEMO COc1cc(C#N)ccc1C[N@@H+](C)CCc1ncc(C)s1 ZINC000121591359 195312702 /nfs/dbraw/zinc/31/27/02/195312702.db2.gz KCRANOSEJJBIRR-UHFFFAOYSA-N 1 1 301.415 3.006 10 30 DGEEMO C[C@]1(CNCc2ccc(C#N)o2)CCC[N@@H+]1Cc1ccccc1 ZINC000121797700 195349169 /nfs/dbraw/zinc/34/91/69/195349169.db2.gz QLRLOUFTKXURIG-LJQANCHMSA-N 1 1 309.413 3.296 10 30 DGEEMO C[C@]1(CNCc2ccc(C#N)o2)CCC[N@H+]1Cc1ccccc1 ZINC000121797700 195349170 /nfs/dbraw/zinc/34/91/70/195349170.db2.gz QLRLOUFTKXURIG-LJQANCHMSA-N 1 1 309.413 3.296 10 30 DGEEMO Cn1cc[nH+]c1C[C@H](Nc1cc(C#N)ccn1)c1ccccc1 ZINC000587987827 400177437 /nfs/dbraw/zinc/17/74/37/400177437.db2.gz FRJXNGPAUBGRIZ-INIZCTEOSA-N 1 1 303.369 3.083 10 30 DGEEMO C=C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617011932 400274108 /nfs/dbraw/zinc/27/41/08/400274108.db2.gz PJCFSUAVDKUBSF-RDJZCZTQSA-N 1 1 300.446 3.335 10 30 DGEEMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000617042422 400291292 /nfs/dbraw/zinc/29/12/92/400291292.db2.gz QYWROXVJQQBQQM-VYDXJSESSA-N 1 1 301.434 3.005 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1 ZINC000093869900 400260666 /nfs/dbraw/zinc/26/06/66/400260666.db2.gz OWDZEENNEDQVNW-QGZVFWFLSA-N 1 1 311.429 3.050 10 30 DGEEMO C=CCCC1(CNC(=O)C[N@H+](C)[C@H]2CCSC2)CCCC1 ZINC000617417332 400385734 /nfs/dbraw/zinc/38/57/34/400385734.db2.gz VAQAEHOGYGSDAV-HNNXBMFYSA-N 1 1 310.507 3.067 10 30 DGEEMO C=CCCCCn1cnc2c(c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC000578594557 400330519 /nfs/dbraw/zinc/33/05/19/400330519.db2.gz BXLGVJWYPIRGAU-UHFFFAOYSA-N 1 1 323.440 3.158 10 30 DGEEMO C=CCCCCn1cnc2c(c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC000578594557 400330521 /nfs/dbraw/zinc/33/05/21/400330521.db2.gz BXLGVJWYPIRGAU-UHFFFAOYSA-N 1 1 323.440 3.158 10 30 DGEEMO C=CCCNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000617616472 400426430 /nfs/dbraw/zinc/42/64/30/400426430.db2.gz YJMQFNKGMLZGGU-UHFFFAOYSA-N 1 1 308.425 3.381 10 30 DGEEMO C=CCCCN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000076490988 400657245 /nfs/dbraw/zinc/65/72/45/400657245.db2.gz SHKILIDCVOMPTM-GOSISDBHSA-N 1 1 300.446 3.323 10 30 DGEEMO C=CCCCN(C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000076974265 400682650 /nfs/dbraw/zinc/68/26/50/400682650.db2.gz JHERJAFNDUIYHS-INIZCTEOSA-N 1 1 303.450 3.115 10 30 DGEEMO C=CCc1cc(C[NH2+]CC2(C#N)CCCC2)cc(OC)c1O ZINC000593652966 400886597 /nfs/dbraw/zinc/88/65/97/400886597.db2.gz UAKMYCCCTZQAIY-UHFFFAOYSA-N 1 1 300.402 3.303 10 30 DGEEMO C=C(C)C[N@H+](CCOC1CCOCC1)Cc1cnn(C(C)C)c1 ZINC000625423846 401125001 /nfs/dbraw/zinc/12/50/01/401125001.db2.gz QWARJHFOMMXTRO-UHFFFAOYSA-N 1 1 321.465 3.038 10 30 DGEEMO C=CC[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000600184874 401213176 /nfs/dbraw/zinc/21/31/76/401213176.db2.gz HZVYUYGESRQPEJ-INIZCTEOSA-N 1 1 321.428 3.257 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2cc(C)c(Cl)cc2OC)C1 ZINC000625699659 401184408 /nfs/dbraw/zinc/18/44/08/401184408.db2.gz CBRSIGNZKPDDBS-CYBMUJFWSA-N 1 1 322.836 3.494 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000625701118 401185333 /nfs/dbraw/zinc/18/53/33/401185333.db2.gz OOVOPWMTEARBDH-MRXNPFEDSA-N 1 1 300.446 3.470 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C)c2ccccc2OC)C1 ZINC000625701409 401185405 /nfs/dbraw/zinc/18/54/05/401185405.db2.gz RDVYEXHVRMMTEZ-JKSUJKDBSA-N 1 1 316.445 3.113 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2OC(F)F)C1 ZINC000625702216 401185562 /nfs/dbraw/zinc/18/55/62/401185562.db2.gz FLHOPXIRUIUJGF-LBPRGKRZSA-N 1 1 310.344 3.125 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000625702884 401186349 /nfs/dbraw/zinc/18/63/49/401186349.db2.gz IBJQFLOYCROOBL-OAHLLOKOSA-N 1 1 300.402 3.116 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)c2cc(C)n([C@@H](C)COC)c2C)C1 ZINC000625702857 401186360 /nfs/dbraw/zinc/18/63/60/401186360.db2.gz JNPWPNVEOKRJFY-DOTOQJQBSA-N 1 1 318.461 3.393 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000625705236 401187495 /nfs/dbraw/zinc/18/74/95/401187495.db2.gz ZDMLCVMFDPMRPU-GFCCVEGCSA-N 1 1 308.809 3.185 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCc1ccc(F)cc1 ZINC000065596237 401272306 /nfs/dbraw/zinc/27/23/06/401272306.db2.gz HKWNXLIDYSJISM-HNNXBMFYSA-N 1 1 306.425 3.113 10 30 DGEEMO C[N@H+]1CC[C@@H](Nc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000089652046 401234650 /nfs/dbraw/zinc/23/46/50/401234650.db2.gz KYCUJCGSHAPASR-WBVHZDCISA-N 1 1 312.804 3.464 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000623466475 401524656 /nfs/dbraw/zinc/52/46/56/401524656.db2.gz AUHIXSTXCNVEMS-DLBZAZTESA-N 1 1 307.482 3.106 10 30 DGEEMO C=CCOc1c(Cl)cc(CNCCC[NH+]2CCC2)cc1OC ZINC000623478283 401527375 /nfs/dbraw/zinc/52/73/75/401527375.db2.gz GLCOXCVIXBPWBB-UHFFFAOYSA-N 1 1 324.852 3.099 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000623814455 401582378 /nfs/dbraw/zinc/58/23/78/401582378.db2.gz GDICWDSLFGUJQU-BPQIPLTHSA-N 1 1 313.445 3.039 10 30 DGEEMO C=C1CC(C)(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)C1 ZINC000632777145 401625756 /nfs/dbraw/zinc/62/57/56/401625756.db2.gz WAFVMDGXIFIBHQ-UHFFFAOYSA-N 1 1 300.402 3.116 10 30 DGEEMO C=CCCC(C)(C)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000633058196 401647940 /nfs/dbraw/zinc/64/79/40/401647940.db2.gz CPIVZRIPKMCKQJ-MQVJKMGUSA-N 1 1 307.482 3.293 10 30 DGEEMO C=CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC000628964733 401651430 /nfs/dbraw/zinc/65/14/30/401651430.db2.gz GVVAHVFMSWECEV-RTBURBONSA-N 1 1 312.457 3.479 10 30 DGEEMO N#Cc1ccc(OCC[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000171619535 432151587 /nfs/dbraw/zinc/15/15/87/432151587.db2.gz KSJOJNQXIBXDCU-UHFFFAOYSA-N 1 1 317.392 3.477 10 30 DGEEMO N#Cc1ccc(OCC[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1 ZINC000171619535 432151589 /nfs/dbraw/zinc/15/15/89/432151589.db2.gz KSJOJNQXIBXDCU-UHFFFAOYSA-N 1 1 317.392 3.477 10 30 DGEEMO N#Cc1ccc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000302179512 230145141 /nfs/dbraw/zinc/14/51/41/230145141.db2.gz RLYLRDARRWXNCD-PWIZWCRZSA-N 1 1 318.424 3.276 10 30 DGEEMO N#Cc1ccc(C2=CC[N@@H+](Cc3cnn4ccccc34)CC2)cc1 ZINC000374282338 268055341 /nfs/dbraw/zinc/05/53/41/268055341.db2.gz DPVXWPDBVZAUKN-UHFFFAOYSA-N 1 1 314.392 3.495 10 30 DGEEMO C=CCC1(C(=O)N2CCC[C@H](n3cc[nH+]c3CC)C2)CCC1 ZINC000191346814 432252077 /nfs/dbraw/zinc/25/20/77/432252077.db2.gz UPVZPSHKMXJKOY-HNNXBMFYSA-N 1 1 301.434 3.355 10 30 DGEEMO C[N@H+]1CCC[C@H]2CN(CC#Cc3cccc(Cl)c3)CC[C@H]21 ZINC000245902206 277083630 /nfs/dbraw/zinc/08/36/30/277083630.db2.gz BHERZXDNKYHVEK-FUHWJXTLSA-N 1 1 302.849 3.108 10 30 DGEEMO Cc1ccc(NC(=S)N/[NH+]=C/c2ccc(N(C)C)cc2)cc1 ZINC000000493669 431194694 /nfs/dbraw/zinc/19/46/94/431194694.db2.gz YHHMOFBXKAZYNE-LDADJPATSA-N 1 1 312.442 3.382 10 30 DGEEMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114494266 431395337 /nfs/dbraw/zinc/39/53/37/431395337.db2.gz YWXXDHVWRJWKJR-QGZVFWFLSA-N 1 1 315.442 3.381 10 30 DGEEMO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114494266 431395345 /nfs/dbraw/zinc/39/53/45/431395345.db2.gz YWXXDHVWRJWKJR-QGZVFWFLSA-N 1 1 315.442 3.381 10 30 DGEEMO C=CCCCN(C)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000076946669 431565303 /nfs/dbraw/zinc/56/53/03/431565303.db2.gz KSDYEWVKSRVDBK-UHFFFAOYSA-N 1 1 315.461 3.042 10 30 DGEEMO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026325280 431670246 /nfs/dbraw/zinc/67/02/46/431670246.db2.gz INXPZHHIYDCSNS-JKSUJKDBSA-N 1 1 321.424 3.256 10 30 DGEEMO C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026325280 431670252 /nfs/dbraw/zinc/67/02/52/431670252.db2.gz INXPZHHIYDCSNS-JKSUJKDBSA-N 1 1 321.424 3.256 10 30 DGEEMO C=CCN(CC[C@H]1CCC[N@@H+]1C)Cc1cccc([N+](=O)[O-])c1 ZINC000119610431 431713638 /nfs/dbraw/zinc/71/36/38/431713638.db2.gz GROGFSCMBCKNTR-MRXNPFEDSA-N 1 1 303.406 3.067 10 30 DGEEMO O[C@@H](C[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000121924643 431807711 /nfs/dbraw/zinc/80/77/11/431807711.db2.gz CQZFMAQTGWBIHM-UWVGGRQHSA-N 1 1 319.220 3.332 10 30 DGEEMO C#CCOc1ccccc1C[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000123061685 431853524 /nfs/dbraw/zinc/85/35/24/431853524.db2.gz GXQOZUTVXDERRF-GOSISDBHSA-N 1 1 309.413 3.041 10 30 DGEEMO C=CC[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000092261484 431908818 /nfs/dbraw/zinc/90/88/18/431908818.db2.gz YOTSAQDPUCKSSX-UHFFFAOYSA-N 1 1 302.381 3.394 10 30 DGEEMO C=CC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000092261484 431908820 /nfs/dbraw/zinc/90/88/20/431908820.db2.gz YOTSAQDPUCKSSX-UHFFFAOYSA-N 1 1 302.381 3.394 10 30 DGEEMO C=C(Br)C[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000125017157 431911122 /nfs/dbraw/zinc/91/11/22/431911122.db2.gz FUGJXOLBFJECGL-JTQLQIEISA-N 1 1 300.196 3.263 10 30 DGEEMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000093644455 431915067 /nfs/dbraw/zinc/91/50/67/431915067.db2.gz GHTAHDKHWUOSEB-NVXWUHKLSA-N 1 1 318.461 3.175 10 30 DGEEMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000093644455 431915069 /nfs/dbraw/zinc/91/50/69/431915069.db2.gz GHTAHDKHWUOSEB-NVXWUHKLSA-N 1 1 318.461 3.175 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000093644455 431915071 /nfs/dbraw/zinc/91/50/71/431915071.db2.gz GHTAHDKHWUOSEB-NVXWUHKLSA-N 1 1 318.461 3.175 10 30 DGEEMO C#CCCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000093644503 431915478 /nfs/dbraw/zinc/91/54/78/431915478.db2.gz DHABWNVALKDXFQ-SJLPKXTDSA-N 1 1 300.446 3.003 10 30 DGEEMO C#CCCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000093644503 431915487 /nfs/dbraw/zinc/91/54/87/431915487.db2.gz DHABWNVALKDXFQ-SJLPKXTDSA-N 1 1 300.446 3.003 10 30 DGEEMO C#CCCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000093644503 431915489 /nfs/dbraw/zinc/91/54/89/431915489.db2.gz DHABWNVALKDXFQ-SJLPKXTDSA-N 1 1 300.446 3.003 10 30 DGEEMO C#CCCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000093644504 431915853 /nfs/dbraw/zinc/91/58/53/431915853.db2.gz DHABWNVALKDXFQ-FUHWJXTLSA-N 1 1 300.446 3.003 10 30 DGEEMO C#CCCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000093644504 431915860 /nfs/dbraw/zinc/91/58/60/431915860.db2.gz DHABWNVALKDXFQ-FUHWJXTLSA-N 1 1 300.446 3.003 10 30 DGEEMO C#CCCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000093644504 431915861 /nfs/dbraw/zinc/91/58/61/431915861.db2.gz DHABWNVALKDXFQ-FUHWJXTLSA-N 1 1 300.446 3.003 10 30 DGEEMO C=CCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000093644458 431916218 /nfs/dbraw/zinc/91/62/18/431916218.db2.gz GHTAHDKHWUOSEB-RDJZCZTQSA-N 1 1 318.461 3.175 10 30 DGEEMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000093644458 431916221 /nfs/dbraw/zinc/91/62/21/431916221.db2.gz GHTAHDKHWUOSEB-RDJZCZTQSA-N 1 1 318.461 3.175 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000093644458 431916222 /nfs/dbraw/zinc/91/62/22/431916222.db2.gz GHTAHDKHWUOSEB-RDJZCZTQSA-N 1 1 318.461 3.175 10 30 DGEEMO C=CCCC[N@H+](C)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000093533595 431916314 /nfs/dbraw/zinc/91/63/14/431916314.db2.gz TUELDWHZRYAQPZ-UHFFFAOYSA-N 1 1 303.402 3.409 10 30 DGEEMO N#Cc1ccc([C@H](O)C[N@@H+]2CC=C(c3cccs3)CC2)cc1 ZINC000127525507 431973968 /nfs/dbraw/zinc/97/39/68/431973968.db2.gz RCMDWZADMOCIBH-QGZVFWFLSA-N 1 1 310.422 3.442 10 30 DGEEMO Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2cnc(C#N)cn2)cc1 ZINC000126546652 431953397 /nfs/dbraw/zinc/95/33/97/431953397.db2.gz WRSZUJNHJDKNNT-LBPRGKRZSA-N 1 1 304.357 3.016 10 30 DGEEMO Cc1cc(C#N)ccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248146582 432272242 /nfs/dbraw/zinc/27/22/42/432272242.db2.gz ZSXLACOJPHWSIL-OALUTQOASA-N 1 1 319.408 3.042 10 30 DGEEMO C[C@@H]1C[N@H+](CCCSCC#N)C[C@H](c2ccc(F)cc2)O1 ZINC000173899569 432306574 /nfs/dbraw/zinc/30/65/74/432306574.db2.gz LAOIDNKEWAADJY-CZUORRHYSA-N 1 1 308.422 3.234 10 30 DGEEMO C[C@@H]1C[N@@H+](CCCSCC#N)C[C@H](c2ccc(F)cc2)O1 ZINC000173899569 432306579 /nfs/dbraw/zinc/30/65/79/432306579.db2.gz LAOIDNKEWAADJY-CZUORRHYSA-N 1 1 308.422 3.234 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248637934 432308855 /nfs/dbraw/zinc/30/88/55/432308855.db2.gz VTVNPHWGFHOGTG-LZLYRXPVSA-N 1 1 315.461 3.011 10 30 DGEEMO C#CCC(C)(C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000185985725 432551930 /nfs/dbraw/zinc/55/19/30/432551930.db2.gz BGALENSHWKLFCC-AWEZNQCLSA-N 1 1 309.413 3.407 10 30 DGEEMO CCCCOC[C@H](O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000195160281 432608989 /nfs/dbraw/zinc/60/89/89/432608989.db2.gz RINAPKVOCJXDGZ-MAUKXSAKSA-N 1 1 304.434 3.119 10 30 DGEEMO C=CCNC(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000156480894 432599068 /nfs/dbraw/zinc/59/90/68/432599068.db2.gz LQTRQHGQPNXJCT-RDJZCZTQSA-N 1 1 301.434 3.039 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)N(Cc1ccco1)CC(F)(F)F ZINC000265671013 432721028 /nfs/dbraw/zinc/72/10/28/432721028.db2.gz ZMYMXIAYWQGMSK-UHFFFAOYSA-N 1 1 318.339 3.069 10 30 DGEEMO N#Cc1ccc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c(F)c1 ZINC000160904930 432749934 /nfs/dbraw/zinc/74/99/34/432749934.db2.gz AAWMLJZKADUARA-HNNXBMFYSA-N 1 1 310.376 3.026 10 30 DGEEMO C#CCCOc1ccc(C[N@@H+]2CC=C(c3ccnn3C)CC2)cc1 ZINC000289384583 432952203 /nfs/dbraw/zinc/95/22/03/432952203.db2.gz MTKKIEDOVDCXLL-UHFFFAOYSA-N 1 1 321.424 3.112 10 30 DGEEMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000281957122 433441414 /nfs/dbraw/zinc/44/14/14/433441414.db2.gz FXZBLOPBRLMERZ-LJQANCHMSA-N 1 1 319.452 3.451 10 30 DGEEMO C[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCCCC2)[C@H]1c1ccccc1 ZINC000248050712 290131576 /nfs/dbraw/zinc/13/15/76/290131576.db2.gz NUNKYHZDOSAMBT-IAGOWNOFSA-N 1 1 311.429 3.022 10 30 DGEEMO Cc1cccc(NC2CCN(c3cccc(F)c3C#N)CC2)[nH+]1 ZINC000301301625 433496666 /nfs/dbraw/zinc/49/66/66/433496666.db2.gz RJXYGRXJVQNALS-UHFFFAOYSA-N 1 1 310.376 3.482 10 30 DGEEMO Cc1cc(NCCC[N@H+]2CCc3ccccc3C2)c(C#N)c(C)n1 ZINC000301751942 433706044 /nfs/dbraw/zinc/70/60/44/433706044.db2.gz BIHFKWWGEMGURD-UHFFFAOYSA-N 1 1 320.440 3.430 10 30 DGEEMO C=C[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000362632183 433799390 /nfs/dbraw/zinc/79/93/90/433799390.db2.gz YYQSEJVCCWYOHT-CCNLRDMRSA-N 1 1 313.445 3.056 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccc(F)cc2)cc1F ZINC000343556722 433816113 /nfs/dbraw/zinc/81/61/13/433816113.db2.gz LERCWBOIOYTUSL-AEFFLSMTSA-N 1 1 314.335 3.144 10 30 DGEEMO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccc(F)cc2)cc1F ZINC000343556722 433816121 /nfs/dbraw/zinc/81/61/21/433816121.db2.gz LERCWBOIOYTUSL-AEFFLSMTSA-N 1 1 314.335 3.144 10 30 DGEEMO C=CCOc1ccc(CNC[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414951381 433935451 /nfs/dbraw/zinc/93/54/51/433935451.db2.gz GQNNVKGEXDNIDK-FQEVSTJZSA-N 1 1 308.425 3.228 10 30 DGEEMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000305059916 434030429 /nfs/dbraw/zinc/03/04/29/434030429.db2.gz GGAHPCBESOPSCJ-YOEHRIQHSA-N 1 1 305.418 3.168 10 30 DGEEMO C#CCCCCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000363725054 434127271 /nfs/dbraw/zinc/12/72/71/434127271.db2.gz PEJYYXYGURXRJL-VAMGGRTRSA-N 1 1 324.468 3.207 10 30 DGEEMO C#CCC1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC000365034135 434289144 /nfs/dbraw/zinc/28/91/44/434289144.db2.gz CTQAJAMNHWUBGQ-ALOPSCKCSA-N 1 1 302.462 3.092 10 30 DGEEMO CC(=O)Nc1ccn([C@@H]2CC[N@H+](Cc3cccc(F)c3F)C2)n1 ZINC000328631825 434293424 /nfs/dbraw/zinc/29/34/24/434293424.db2.gz RJVPKBNCUIOYCE-CYBMUJFWSA-N 1 1 320.343 3.216 10 30 DGEEMO CC(=O)Nc1ccn([C@@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)n1 ZINC000328631825 434293428 /nfs/dbraw/zinc/29/34/28/434293428.db2.gz RJVPKBNCUIOYCE-CYBMUJFWSA-N 1 1 320.343 3.216 10 30 DGEEMO C[C@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328680749 434295893 /nfs/dbraw/zinc/29/58/93/434295893.db2.gz CDOVMTCVKSTYKW-ZIAGYGMSSA-N 1 1 318.446 3.127 10 30 DGEEMO C[C@H](C(=O)NCc1cccs1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328680749 434295907 /nfs/dbraw/zinc/29/59/07/434295907.db2.gz CDOVMTCVKSTYKW-ZIAGYGMSSA-N 1 1 318.446 3.127 10 30 DGEEMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CCCCNC1=O ZINC000329248258 434378806 /nfs/dbraw/zinc/37/88/06/434378806.db2.gz AHJVAEKRZMCBSH-HUUCEWRRSA-N 1 1 309.454 3.210 10 30 DGEEMO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000358596871 434398215 /nfs/dbraw/zinc/39/82/15/434398215.db2.gz WIUQAANHGHDVBI-GDBMZVCRSA-N 1 1 303.425 3.468 10 30 DGEEMO COc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1O ZINC000358587988 434399989 /nfs/dbraw/zinc/39/99/89/434399989.db2.gz LJRTVHPPVXJOJG-NSHDSACASA-N 1 1 300.333 3.262 10 30 DGEEMO C=C(C)CN(CC)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000371062178 434638736 /nfs/dbraw/zinc/63/87/36/434638736.db2.gz AUNNQHAZQYTWRP-IRXDYDNUSA-N 1 1 319.424 3.179 10 30 DGEEMO C=C(C)CN(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000371062178 434638738 /nfs/dbraw/zinc/63/87/38/434638738.db2.gz AUNNQHAZQYTWRP-IRXDYDNUSA-N 1 1 319.424 3.179 10 30 DGEEMO C=CCN1CC[C@@H]([N@H+](C)[C@H](Cc2ccc(F)cc2)C(C)C)C1=O ZINC000410382865 434644761 /nfs/dbraw/zinc/64/47/61/434644761.db2.gz BSPUGXHXIOPOMH-QZTJIDSGSA-N 1 1 318.436 3.112 10 30 DGEEMO Cn1nccc1[C@H]1CCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000369615222 434599878 /nfs/dbraw/zinc/59/98/78/434599878.db2.gz KAFKOGISJAWQOV-QGZVFWFLSA-N 1 1 316.449 3.048 10 30 DGEEMO C=CCn1cc(C[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)nn1 ZINC000424176265 434647052 /nfs/dbraw/zinc/64/70/52/434647052.db2.gz XCGPVZYBMJFOPC-UHFFFAOYSA-N 1 1 310.323 3.081 10 30 DGEEMO COc1cc(C[N@@H+]2CCOC[C@@H]2Cc2ccccc2)ccc1C#N ZINC000442805383 434772993 /nfs/dbraw/zinc/77/29/93/434772993.db2.gz ADSJZILREMYYNP-IBGZPJMESA-N 1 1 322.408 3.010 10 30 DGEEMO COc1cc(C[N@H+]2CCOC[C@@H]2Cc2ccccc2)ccc1C#N ZINC000442805383 434772998 /nfs/dbraw/zinc/77/29/98/434772998.db2.gz ADSJZILREMYYNP-IBGZPJMESA-N 1 1 322.408 3.010 10 30 DGEEMO C=CCN1CCC([NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000453101368 434800293 /nfs/dbraw/zinc/80/02/93/434800293.db2.gz NXVAYPUJECWOIV-MRXNPFEDSA-N 1 1 324.472 3.388 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1 ZINC000361115190 434801755 /nfs/dbraw/zinc/80/17/55/434801755.db2.gz WOPNXSGCWBYWKL-APWZRJJASA-N 1 1 317.429 3.021 10 30 DGEEMO C=CC[C@@H](Cc1ccccc1)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000574172242 434957770 /nfs/dbraw/zinc/95/77/70/434957770.db2.gz UZHHUOIQDICXAU-KRWDZBQOSA-N 1 1 323.440 3.066 10 30 DGEEMO C=CC[N@H+](CCC(C)(C)C(=O)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000527218893 435012260 /nfs/dbraw/zinc/01/22/60/435012260.db2.gz MCLKOVZLHZGTND-UHFFFAOYSA-N 1 1 320.389 3.172 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000532977187 435203074 /nfs/dbraw/zinc/20/30/74/435203074.db2.gz HOZRJHKRYDOTLY-UHFFFAOYSA-N 1 1 316.323 3.422 10 30 DGEEMO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000512649774 435362195 /nfs/dbraw/zinc/36/21/95/435362195.db2.gz UHAJIBHSBDAYLM-AWEZNQCLSA-N 1 1 301.409 3.388 10 30 DGEEMO C[N@H+]1CCC[C@H](CNC[C@@H](C#N)CCC#N)[C@@H]1c1cccs1 ZINC000572831301 435874189 /nfs/dbraw/zinc/87/41/89/435874189.db2.gz JTQLDOZUMWLVHH-BFYDXBDKSA-N 1 1 316.474 3.164 10 30 DGEEMO N#Cc1cnccc1N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000376939799 313000911 /nfs/dbraw/zinc/00/09/11/313000911.db2.gz BOUUGKQNJVSWNI-UHFFFAOYSA-N 1 1 320.440 3.098 10 30 DGEEMO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H]1CC=CCC1 ZINC000543175539 314118566 /nfs/dbraw/zinc/11/85/66/314118566.db2.gz CTNVYWPUPJURIJ-CYBMUJFWSA-N 1 1 317.820 3.438 10 30 DGEEMO C=C(C)C[N@@H+](CCc1ncc(C)cc1C)Cc1ccc(CO)o1 ZINC000566162939 332008847 /nfs/dbraw/zinc/00/88/47/332008847.db2.gz NPXJHAZFQDCWII-UHFFFAOYSA-N 1 1 314.429 3.405 10 30 DGEEMO C=CCOc1ccccc1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000414956714 334209613 /nfs/dbraw/zinc/20/96/13/334209613.db2.gz OXSSBRPWHNXNIC-IBGZPJMESA-N 1 1 308.425 3.228 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000185064167 337202794 /nfs/dbraw/zinc/20/27/94/337202794.db2.gz KNWAAIJFZNLFTI-JKSUJKDBSA-N 1 1 300.446 3.152 10 30 DGEEMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CCc2ccccc2)C1=O ZINC000499594412 340040179 /nfs/dbraw/zinc/04/01/79/340040179.db2.gz SVYYRSWQXATZSL-RBUKOAKNSA-N 1 1 312.457 3.261 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)OC)C2)cc1Cl ZINC000506294489 340191417 /nfs/dbraw/zinc/19/14/17/340191417.db2.gz LCECMCWOYLLSAW-AWEZNQCLSA-N 1 1 323.820 3.290 10 30 DGEEMO CC#CCCNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000543605939 341051005 /nfs/dbraw/zinc/05/10/05/341051005.db2.gz ZSBWRZIVWYUTLC-UHFFFAOYSA-N 1 1 320.436 3.218 10 30 DGEEMO C#CCOC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1C ZINC000036104453 518305133 /nfs/dbraw/zinc/30/51/33/518305133.db2.gz KAUKFOFVAXKEBC-NRFANRHFSA-N 1 1 323.436 3.008 10 30 DGEEMO Fc1ccc(C#CC[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000130361936 534463032 /nfs/dbraw/zinc/46/30/32/534463032.db2.gz VORSMJICJWHYMR-KRWDZBQOSA-N 1 1 309.388 3.006 10 30 DGEEMO C=CCCC[C@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000451426978 534757324 /nfs/dbraw/zinc/75/73/24/534757324.db2.gz ZIEZMWMEJPLXIC-WMZOPIPTSA-N 1 1 317.477 3.361 10 30 DGEEMO Cc1nccn1C[C@@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000154589922 534776957 /nfs/dbraw/zinc/77/69/57/534776957.db2.gz CAUROGUPCPBOQS-SFHVURJKSA-N 1 1 313.832 3.361 10 30 DGEEMO C=CC[N@H+](CCc1ccco1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352700487 526327253 /nfs/dbraw/zinc/32/72/53/526327253.db2.gz QEHHURLNQDURPF-UHFFFAOYSA-N 1 1 316.357 3.427 10 30 DGEEMO C=CCN(Cc1ccccc1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431770827 526352211 /nfs/dbraw/zinc/35/22/11/526352211.db2.gz GRLVZNNOBZXSFU-GOSISDBHSA-N 1 1 300.446 3.466 10 30 DGEEMO CC#CCNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000342817100 526384121 /nfs/dbraw/zinc/38/41/21/526384121.db2.gz MARVSAOXDIPGML-UHFFFAOYSA-N 1 1 314.458 3.339 10 30 DGEEMO C=C(C)C[N@H+](C)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000351062374 526502871 /nfs/dbraw/zinc/50/28/71/526502871.db2.gz ITYXENWIHCHLPB-MRXNPFEDSA-N 1 1 300.446 3.322 10 30 DGEEMO C=C(C)C[NH+]1CCC(NCc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183466881 526603838 /nfs/dbraw/zinc/60/38/38/526603838.db2.gz LSIKGFJZHUGCLU-UHFFFAOYSA-N 1 1 303.406 3.033 10 30 DGEEMO C=C(C)CN1CCC([NH2+]Cc2cnc(CC(C)C)s2)CC1 ZINC000162550210 526604098 /nfs/dbraw/zinc/60/40/98/526604098.db2.gz RSFYXCNLPWGYTR-UHFFFAOYSA-N 1 1 307.507 3.472 10 30 DGEEMO C=C(C)C[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000441218886 526607625 /nfs/dbraw/zinc/60/76/25/526607625.db2.gz UORFKOLKHUPYKI-LPHOPBHVSA-N 1 1 301.478 3.498 10 30 DGEEMO N#Cc1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)o1 ZINC000181125476 526612398 /nfs/dbraw/zinc/61/23/98/526612398.db2.gz DJFWRXQCMGKASD-UHFFFAOYSA-N 1 1 324.306 3.204 10 30 DGEEMO C=C(C)CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000428107069 526621515 /nfs/dbraw/zinc/62/15/15/526621515.db2.gz MNHRLIKGWAWBSO-HNNXBMFYSA-N 1 1 301.434 3.186 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000185392753 526703353 /nfs/dbraw/zinc/70/33/53/526703353.db2.gz ZCPDZXGOLSFSFI-MRXNPFEDSA-N 1 1 315.461 3.369 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000412692871 526708769 /nfs/dbraw/zinc/70/87/69/526708769.db2.gz DVGYZSNLWGZQKS-IRXDYDNUSA-N 1 1 300.446 3.322 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000412692871 526708775 /nfs/dbraw/zinc/70/87/75/526708775.db2.gz DVGYZSNLWGZQKS-IRXDYDNUSA-N 1 1 300.446 3.322 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000185887573 526709805 /nfs/dbraw/zinc/70/98/05/526709805.db2.gz FNZUJERRRPVDRR-HNNXBMFYSA-N 1 1 301.434 3.077 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000185818021 526710998 /nfs/dbraw/zinc/71/09/98/526710998.db2.gz MEXALQYWBZMOSK-AWEZNQCLSA-N 1 1 301.434 3.077 10 30 DGEEMO C=CCOc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000348875545 526860562 /nfs/dbraw/zinc/86/05/62/526860562.db2.gz KUXHVEUKMIBXAV-JWTNVVGKSA-N 1 1 300.446 3.308 10 30 DGEEMO C=CCOc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000348875545 526860570 /nfs/dbraw/zinc/86/05/70/526860570.db2.gz KUXHVEUKMIBXAV-JWTNVVGKSA-N 1 1 300.446 3.308 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)cc1 ZINC000352383708 526866986 /nfs/dbraw/zinc/86/69/86/526866986.db2.gz MLFAACYMIUFBSG-QGZVFWFLSA-N 1 1 311.429 3.365 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000430150437 526869656 /nfs/dbraw/zinc/86/96/56/526869656.db2.gz RZSJZOYYAIUFOY-GOSISDBHSA-N 1 1 301.430 3.500 10 30 DGEEMO C=CC[C@@H](C)NC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000342098172 527026898 /nfs/dbraw/zinc/02/68/98/527026898.db2.gz DUOARFFNFVQVLF-SJLPKXTDSA-N 1 1 315.461 3.305 10 30 DGEEMO C=CCCC(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000183251349 527075902 /nfs/dbraw/zinc/07/59/02/527075902.db2.gz ZEMCSMQXJQJIBL-IEBWSBKVSA-N 1 1 314.429 3.055 10 30 DGEEMO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000130911507 527115547 /nfs/dbraw/zinc/11/55/47/527115547.db2.gz XYAWVDBJIHGCPU-CABCVRRESA-N 1 1 324.428 3.038 10 30 DGEEMO C=CCC[C@H](NC(=O)N1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000130949249 527476282 /nfs/dbraw/zinc/47/62/82/527476282.db2.gz AYHOABBVURTQFN-SFHVURJKSA-N 1 1 313.445 3.184 10 30 DGEEMO C=CC[N@H+](CC(=O)Nc1ccnn1CC1CCCCC1)C1CC1 ZINC000357525668 527583580 /nfs/dbraw/zinc/58/35/80/527583580.db2.gz BCVYWZZCSPNHSG-UHFFFAOYSA-N 1 1 316.449 3.052 10 30 DGEEMO C=CC[N@@H+](CC(=O)Nc1ccnn1CC1CCCCC1)C1CC1 ZINC000357525668 527583586 /nfs/dbraw/zinc/58/35/86/527583586.db2.gz BCVYWZZCSPNHSG-UHFFFAOYSA-N 1 1 316.449 3.052 10 30 DGEEMO C#CC[N@H+](Cc1ccc(F)cc1C(=O)OC)C1CCCCC1 ZINC000728918273 575193912 /nfs/dbraw/zinc/19/39/12/575193912.db2.gz UGEYTGKSKSXKDV-UHFFFAOYSA-N 1 1 303.377 3.380 10 30 DGEEMO C#CCOc1ccccc1C[NH2+]Cc1nc2c(cccc2C)[nH]1 ZINC000153613091 620585443 /nfs/dbraw/zinc/58/54/43/620585443.db2.gz QFKKDYFRTNEIGO-UHFFFAOYSA-N 1 1 305.381 3.173 10 30 DGEEMO C=CCCC[N@H+](C)Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000121093191 622129439 /nfs/dbraw/zinc/12/94/39/622129439.db2.gz WUDABCQRSOIDOW-OAHLLOKOSA-N 1 1 320.396 3.122 10 30 DGEEMO C(#Cc1ccccc1)CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309745442 655880443 /nfs/dbraw/zinc/88/04/43/655880443.db2.gz UCPGHETWXSWXNX-NRFANRHFSA-N 1 1 304.437 3.150 10 30 DGEEMO C#CCOc1ccccc1CNCC[N@H+](C)C1CCCCC1 ZINC000237158637 657337158 /nfs/dbraw/zinc/33/71/58/657337158.db2.gz ZXTHSIWWTGUPGB-UHFFFAOYSA-N 1 1 300.446 3.053 10 30 DGEEMO C#CCCOc1ccc(C[NH2+]Cc2nccn2CC(C)C)cc1 ZINC000174454809 659434301 /nfs/dbraw/zinc/43/43/01/659434301.db2.gz RDBABABLYCTPQO-UHFFFAOYSA-N 1 1 311.429 3.231 10 30 DGEEMO CC[C@@H](C)C[N@@H+](CC)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000174944218 659913869 /nfs/dbraw/zinc/91/38/69/659913869.db2.gz FQBXICIIEXRHQI-CQSZACIVSA-N 1 1 311.433 3.451 10 30 DGEEMO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1O ZINC000246952003 662293288 /nfs/dbraw/zinc/29/32/88/662293288.db2.gz SKYAFYIUVSTMBB-QZTJIDSGSA-N 1 1 317.429 3.273 10 30 DGEEMO C#CCOc1ccc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000092812725 662336039 /nfs/dbraw/zinc/33/60/39/662336039.db2.gz NHKKOXKQRLDZCS-GOSISDBHSA-N 1 1 321.424 3.028 10 30 DGEEMO C#CC[N@H+](Cc1cc(OC)ccc1OCOC)C1CCCC1 ZINC000093819808 662360234 /nfs/dbraw/zinc/36/02/34/662360234.db2.gz IIFSXNJYTFGSTC-UHFFFAOYSA-N 1 1 303.402 3.056 10 30 DGEEMO C[C@@]1(NCC#Cc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000406049667 1199602583 /nfs/dbraw/zinc/60/25/83/1199602583.db2.gz GGRGMZRYTWFRQH-OAQYLSRUSA-N 1 1 304.437 3.292 10 30 DGEEMO C[C@@]1(NCC#Cc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000406049667 1199602589 /nfs/dbraw/zinc/60/25/89/1199602589.db2.gz GGRGMZRYTWFRQH-OAQYLSRUSA-N 1 1 304.437 3.292 10 30 DGEEMO C[C@H]1[C@@H](NCC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000309801869 1199710347 /nfs/dbraw/zinc/71/03/47/1199710347.db2.gz KBWLXNNYKFWXRW-RXVVDRJESA-N 1 1 304.437 3.291 10 30 DGEEMO C[C@H]1[C@@H](NCC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000309801869 1199710351 /nfs/dbraw/zinc/71/03/51/1199710351.db2.gz KBWLXNNYKFWXRW-RXVVDRJESA-N 1 1 304.437 3.291 10 30 DGEEMO C=C(CC)C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000429142053 1199823826 /nfs/dbraw/zinc/82/38/26/1199823826.db2.gz MYCDDMUBGMTYQS-JKSUJKDBSA-N 1 1 307.821 3.495 10 30 DGEEMO Cc1cc(C#N)ccc1C[N@@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000721443969 1097298516 /nfs/dbraw/zinc/29/85/16/1097298516.db2.gz YSOXWPMHLUACBJ-CYBMUJFWSA-N 1 1 300.349 3.346 10 30 DGEEMO Cc1cc(C#N)ccc1C[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000721443969 1097298521 /nfs/dbraw/zinc/29/85/21/1097298521.db2.gz YSOXWPMHLUACBJ-CYBMUJFWSA-N 1 1 300.349 3.346 10 30 DGEEMO N#Cc1ccncc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000310201942 231111899 /nfs/dbraw/zinc/11/18/99/231111899.db2.gz BXUQQBOIYXIRSM-IPMKNSEASA-N 1 1 318.424 3.276 10 30 DGEEMO CN(Cc1ccc(CC#N)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000343423305 529984388 /nfs/dbraw/zinc/98/43/88/529984388.db2.gz OPRONIDKFAPDII-NRFANRHFSA-N 1 1 319.452 3.459 10 30 DGEEMO C[N@H+](Cc1ccc(CC#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000343423305 529984389 /nfs/dbraw/zinc/98/43/89/529984389.db2.gz OPRONIDKFAPDII-NRFANRHFSA-N 1 1 319.452 3.459 10 30 DGEEMO C[N@@H+](Cc1ccc(CC#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000343423305 529984390 /nfs/dbraw/zinc/98/43/90/529984390.db2.gz OPRONIDKFAPDII-NRFANRHFSA-N 1 1 319.452 3.459 10 30 DGEEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C#N)ccc2C)[C@H](C)C1 ZINC000177865842 186195972 /nfs/dbraw/zinc/19/59/72/186195972.db2.gz KQPMVMMILRRJAC-RHSMWYFYSA-N 1 1 314.433 3.061 10 30 DGEEMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)C1 ZINC000294194107 283058769 /nfs/dbraw/zinc/05/87/69/283058769.db2.gz RDRFENQUSOBWLJ-WOPDTQHZSA-N 1 1 312.339 3.300 10 30 DGEEMO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)C1 ZINC000294194107 283058774 /nfs/dbraw/zinc/05/87/74/283058774.db2.gz RDRFENQUSOBWLJ-WOPDTQHZSA-N 1 1 312.339 3.300 10 30 DGEEMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)C1 ZINC000294194107 283058776 /nfs/dbraw/zinc/05/87/76/283058776.db2.gz RDRFENQUSOBWLJ-WOPDTQHZSA-N 1 1 312.339 3.300 10 30 DGEEMO C[N@H+]1CC[C@H](NC(=O)C2(C#N)CCCCC2)[C@H]1c1ccccc1 ZINC000248050709 283120292 /nfs/dbraw/zinc/12/02/92/283120292.db2.gz NUNKYHZDOSAMBT-DLBZAZTESA-N 1 1 311.429 3.022 10 30 DGEEMO N#Cc1ccc2ncc(C[N@@H+]3CCS[C@H]4CCCC[C@@H]43)n2c1 ZINC000093690049 283201257 /nfs/dbraw/zinc/20/12/57/283201257.db2.gz AWSURMLFLRGIDT-HOTGVXAUSA-N 1 1 312.442 3.066 10 30 DGEEMO N#Cc1ccc2ncc(C[N@H+]3CCS[C@H]4CCCC[C@@H]43)n2c1 ZINC000093690049 283201259 /nfs/dbraw/zinc/20/12/59/283201259.db2.gz AWSURMLFLRGIDT-HOTGVXAUSA-N 1 1 312.442 3.066 10 30 DGEEMO N#Cc1cccc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c1 ZINC000245827402 283205758 /nfs/dbraw/zinc/20/57/58/283205758.db2.gz FUOZSBBJJYMIIV-IRXDYDNUSA-N 1 1 302.443 3.045 10 30 DGEEMO N#Cc1cc(Cl)ccc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000186985417 200043165 /nfs/dbraw/zinc/04/31/65/200043165.db2.gz HFXGGFDDAVWQIZ-UHFFFAOYSA-N 1 1 314.820 3.320 10 30 DGEEMO Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)CC[C@H]2C)c(C#N)c1C ZINC000246100845 432095559 /nfs/dbraw/zinc/09/55/59/432095559.db2.gz AXBNNXNGUFPKIQ-GHMZBOCLSA-N 1 1 305.447 3.296 10 30 DGEEMO Cc1sc(NC(=O)C[N@H+]2C[C@H](C)CC[C@H]2C)c(C#N)c1C ZINC000246100845 432095562 /nfs/dbraw/zinc/09/55/62/432095562.db2.gz AXBNNXNGUFPKIQ-GHMZBOCLSA-N 1 1 305.447 3.296 10 30 DGEEMO CCC[N@H+](Cc1ccc(OC)c(C#N)c1)C[C@H]1CCCCO1 ZINC000135185422 432103729 /nfs/dbraw/zinc/10/37/29/432103729.db2.gz HHBXROQYOPQCJS-QGZVFWFLSA-N 1 1 302.418 3.348 10 30 DGEEMO N#Cc1ccc(C[N@@H+](CCCO)Cc2cccc(Cl)c2)o1 ZINC000092063600 193150791 /nfs/dbraw/zinc/15/07/91/193150791.db2.gz MXSXAQYVBYGATN-UHFFFAOYSA-N 1 1 304.777 3.189 10 30 DGEEMO N#Cc1ccc(C[N@H+](CCCO)Cc2cccc(Cl)c2)o1 ZINC000092063600 193150793 /nfs/dbraw/zinc/15/07/93/193150793.db2.gz MXSXAQYVBYGATN-UHFFFAOYSA-N 1 1 304.777 3.189 10 30 DGEEMO C=C(C)CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000455309597 242164458 /nfs/dbraw/zinc/16/44/58/242164458.db2.gz LIIGSURRBHXMJD-GDBMZVCRSA-N 1 1 321.490 3.396 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)o1 ZINC000093842974 193316480 /nfs/dbraw/zinc/31/64/80/193316480.db2.gz DFFKSLFYJQNHHN-SFHVURJKSA-N 1 1 310.397 3.375 10 30 DGEEMO N#Cc1ccc(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)o1 ZINC000093842974 193316482 /nfs/dbraw/zinc/31/64/82/193316482.db2.gz DFFKSLFYJQNHHN-SFHVURJKSA-N 1 1 310.397 3.375 10 30 DGEEMO CC[N@H+]1CC[C@H](N(C)CC#Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000246531904 432141525 /nfs/dbraw/zinc/14/15/25/432141525.db2.gz JKMHUVOCLQPBPF-YJBOKZPZSA-N 1 1 304.865 3.354 10 30 DGEEMO CCc1nccn1[C@@H]1CCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000106212185 194189640 /nfs/dbraw/zinc/18/96/40/194189640.db2.gz OYWOVEIIYDYGII-QGZVFWFLSA-N 1 1 324.428 3.033 10 30 DGEEMO CCc1nccn1[C@H]1CCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000106212187 194189981 /nfs/dbraw/zinc/18/99/81/194189981.db2.gz OYWOVEIIYDYGII-KRWDZBQOSA-N 1 1 324.428 3.033 10 30 DGEEMO CCCCOC[C@H](O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000248656428 285015114 /nfs/dbraw/zinc/01/51/14/285015114.db2.gz RINAPKVOCJXDGZ-CRAIPNDOSA-N 1 1 304.434 3.119 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cc1F ZINC000343556723 254159751 /nfs/dbraw/zinc/15/97/51/254159751.db2.gz LERCWBOIOYTUSL-FUHWJXTLSA-N 1 1 314.335 3.144 10 30 DGEEMO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cc1F ZINC000343556723 254159752 /nfs/dbraw/zinc/15/97/52/254159752.db2.gz LERCWBOIOYTUSL-FUHWJXTLSA-N 1 1 314.335 3.144 10 30 DGEEMO COc1cc2c(c(C[NH+]3CCC(C)(C#N)CC3)c1)O[C@@H](C)C2 ZINC000356942819 533148433 /nfs/dbraw/zinc/14/84/33/533148433.db2.gz ABXULNRMNQXFDY-ZDUSSCGKSA-N 1 1 300.402 3.144 10 30 DGEEMO C=CCO[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1ccc2ccccc2n1 ZINC000253376628 257106682 /nfs/dbraw/zinc/10/66/82/257106682.db2.gz UNJNNEAMONPGBJ-AQNXPRMDSA-N 1 1 324.424 3.169 10 30 DGEEMO C=CCO[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1ccc2ccccc2n1 ZINC000253376628 257106683 /nfs/dbraw/zinc/10/66/83/257106683.db2.gz UNJNNEAMONPGBJ-AQNXPRMDSA-N 1 1 324.424 3.169 10 30 DGEEMO C=CCCCCCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000581378364 400079442 /nfs/dbraw/zinc/07/94/42/400079442.db2.gz IBJZIBPHIGMCHT-KRWDZBQOSA-N 1 1 307.482 3.106 10 30 DGEEMO C[N@H+]1CC[C@@H](CNC(=O)CCc2ccccn2)[C@@H]1c1cccnc1 ZINC000328621249 400182469 /nfs/dbraw/zinc/18/24/69/400182469.db2.gz HPSWBZPKBFOLBZ-LPHOPBHVSA-N 1 1 324.428 3.059 10 30 DGEEMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000617044045 400292337 /nfs/dbraw/zinc/29/23/37/400292337.db2.gz IBEXTDRIDNADAZ-VYDXJSESSA-N 1 1 301.434 3.005 10 30 DGEEMO C=CC[N@@H+](CCc1ccco1)Cc1cnc(C(=O)OCC)s1 ZINC000602802205 400578946 /nfs/dbraw/zinc/57/89/46/400578946.db2.gz OZWGMBDHNWSPDJ-UHFFFAOYSA-N 1 1 320.414 3.144 10 30 DGEEMO C=CC[N@H+](CCc1ccco1)Cc1cnc(C(=O)OCC)s1 ZINC000602802205 400578947 /nfs/dbraw/zinc/57/89/47/400578947.db2.gz OZWGMBDHNWSPDJ-UHFFFAOYSA-N 1 1 320.414 3.144 10 30 DGEEMO C=C(C)C[C@H]([NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)C(=O)OC ZINC000602739050 400559755 /nfs/dbraw/zinc/55/97/55/400559755.db2.gz PHBUILLZARXBPV-PILAGYSTSA-N 1 1 317.429 3.285 10 30 DGEEMO C=CC[N@H+](CCC[C@@H]1CCOC1)Cc1cccc([N+](=O)[O-])c1 ZINC000592065135 400602037 /nfs/dbraw/zinc/60/20/37/400602037.db2.gz NQOXMPNNIIBPCP-OAHLLOKOSA-N 1 1 304.390 3.400 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)NCCSc1ccc(C)cc1 ZINC000605738781 400885028 /nfs/dbraw/zinc/88/50/28/400885028.db2.gz VJEARZKTYAWMRW-UHFFFAOYSA-N 1 1 306.475 3.101 10 30 DGEEMO C=CCOc1ccc(C[NH2+]CC2(C#N)CCCC2)cc1OC ZINC000593652356 400886169 /nfs/dbraw/zinc/88/61/69/400886169.db2.gz DSJRYFWNOUOCFT-UHFFFAOYSA-N 1 1 300.402 3.434 10 30 DGEEMO C=CCCC(C)(C)CNC(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000633411775 400940402 /nfs/dbraw/zinc/94/04/02/400940402.db2.gz XNAMFFSROJDBHC-MRXNPFEDSA-N 1 1 309.498 3.352 10 30 DGEEMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000620309325 401052651 /nfs/dbraw/zinc/05/26/51/401052651.db2.gz NZLIJSIMGNANGA-RYQLBKOJSA-N 1 1 302.462 3.351 10 30 DGEEMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000620312984 401053352 /nfs/dbraw/zinc/05/33/52/401053352.db2.gz SAIYANLLSVAQJM-CEXWTWQISA-N 1 1 310.441 3.361 10 30 DGEEMO C=CC[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2OCC)C1 ZINC000625701766 401185490 /nfs/dbraw/zinc/18/54/90/401185490.db2.gz AODHOHPAOOERPH-HNNXBMFYSA-N 1 1 302.418 3.312 10 30 DGEEMO C=C1CC(C)(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000631563440 401497838 /nfs/dbraw/zinc/49/78/38/401497838.db2.gz VIKLHEXBSDHYMZ-KRWDZBQOSA-N 1 1 312.457 3.466 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000623466477 401524575 /nfs/dbraw/zinc/52/45/75/401524575.db2.gz AUHIXSTXCNVEMS-IRXDYDNUSA-N 1 1 307.482 3.106 10 30 DGEEMO C=CC(C)(C)CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000628312291 401573805 /nfs/dbraw/zinc/57/38/05/401573805.db2.gz WOEVXTPNWLWIMX-SJORKVTESA-N 1 1 300.446 3.050 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000628406124 401592220 /nfs/dbraw/zinc/59/22/20/401592220.db2.gz CKQITKJUFBGYGE-HUUCEWRRSA-N 1 1 307.459 3.092 10 30 DGEEMO CCc1n[nH]c(C2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000190669406 165211602 /nfs/dbraw/zinc/21/16/02/165211602.db2.gz DGRZFMIHOSKLOP-CYBMUJFWSA-N 1 1 309.417 3.179 10 30 DGEEMO CCc1nc(C2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)n[nH]1 ZINC000190669406 165211607 /nfs/dbraw/zinc/21/16/07/165211607.db2.gz DGRZFMIHOSKLOP-CYBMUJFWSA-N 1 1 309.417 3.179 10 30 DGEEMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000245982304 165495933 /nfs/dbraw/zinc/49/59/33/165495933.db2.gz HBCAKLSGGWLPNR-CDHQVMDDSA-N 1 1 306.409 3.470 10 30 DGEEMO N#Cc1ccncc1NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000354558553 268300711 /nfs/dbraw/zinc/30/07/11/268300711.db2.gz HSDCELOZRUGOCD-SFHVURJKSA-N 1 1 306.413 3.420 10 30 DGEEMO CC[N@@H+](CC#Cc1ccccc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000191990180 276079025 /nfs/dbraw/zinc/07/90/25/276079025.db2.gz SAJRHKVTVJEQGO-UHFFFAOYSA-N 1 1 320.436 3.262 10 30 DGEEMO C=CCC[C@@H](C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1ccnc(C)n1 ZINC000072434688 431334174 /nfs/dbraw/zinc/33/41/74/431334174.db2.gz XIXRRUUFYFRKAC-KSZLIROESA-N 1 1 313.445 3.397 10 30 DGEEMO C#CCCOc1ccc(CN[C@@H](C[NH+](C)C)c2ccccc2)cc1 ZINC000113315824 431341049 /nfs/dbraw/zinc/34/10/49/431341049.db2.gz UXHOXWXITLUQPE-NRFANRHFSA-N 1 1 322.452 3.481 10 30 DGEEMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000116288784 431498473 /nfs/dbraw/zinc/49/84/73/431498473.db2.gz XYKUSMQIHWGPRO-INIZCTEOSA-N 1 1 309.369 3.317 10 30 DGEEMO C=CCCCN(C)C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000076485451 431554014 /nfs/dbraw/zinc/55/40/14/431554014.db2.gz ZYHRSIJHMKPZOQ-UHFFFAOYSA-N 1 1 301.434 3.031 10 30 DGEEMO CC1(C)CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000077382898 431592036 /nfs/dbraw/zinc/59/20/36/431592036.db2.gz QFZHFZHSVMUBEP-UHFFFAOYSA-N 1 1 305.809 3.415 10 30 DGEEMO N#Cc1cc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)ccc1F ZINC000119533112 431704388 /nfs/dbraw/zinc/70/43/88/431704388.db2.gz LPVHSMUFVTVKGQ-HNNXBMFYSA-N 1 1 310.376 3.026 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000122104402 431812705 /nfs/dbraw/zinc/81/27/05/431812705.db2.gz KQQQQBGVYRNTIC-UHFFFAOYSA-N 1 1 324.424 3.129 10 30 DGEEMO C=CCc1cc(CN(C)C[C@@H]2CCC[N@@H+]2CC)cc(OC)c1O ZINC000123394057 431864420 /nfs/dbraw/zinc/86/44/20/431864420.db2.gz JNYDQDARIZVTEM-KRWDZBQOSA-N 1 1 318.461 3.045 10 30 DGEEMO COc1cccc([C@H]2C[N@H+](CC(C)(C)CCC#N)CCO2)c1 ZINC000093080613 431913114 /nfs/dbraw/zinc/91/31/14/431913114.db2.gz LKVNNYVKSDDNSE-QGZVFWFLSA-N 1 1 302.418 3.398 10 30 DGEEMO COc1cccc([C@H]2C[N@@H+](CC(C)(C)CCC#N)CCO2)c1 ZINC000093080613 431913116 /nfs/dbraw/zinc/91/31/16/431913116.db2.gz LKVNNYVKSDDNSE-QGZVFWFLSA-N 1 1 302.418 3.398 10 30 DGEEMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000093438117 431914786 /nfs/dbraw/zinc/91/47/86/431914786.db2.gz KSXOVUMSJICXDJ-KBXCAEBGSA-N 1 1 310.401 3.428 10 30 DGEEMO C=CCOc1ccccc1CN(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000093639073 431915872 /nfs/dbraw/zinc/91/58/72/431915872.db2.gz NSMAKJGEQAXRIC-SJLPKXTDSA-N 1 1 302.462 3.414 10 30 DGEEMO Cc1cccc(NC[C@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)n1 ZINC000092813452 281246934 /nfs/dbraw/zinc/24/69/34/281246934.db2.gz JDWKMTCTYKRSOR-MRXNPFEDSA-N 1 1 300.450 3.454 10 30 DGEEMO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248146580 432272490 /nfs/dbraw/zinc/27/24/90/432272490.db2.gz ZSXLACOJPHWSIL-MOPGFXCFSA-N 1 1 319.408 3.042 10 30 DGEEMO C=C(C)CN(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248059867 432265606 /nfs/dbraw/zinc/26/56/06/432265606.db2.gz OZMLKZDUBITLET-IRXDYDNUSA-N 1 1 301.434 3.039 10 30 DGEEMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CC#Cc1ccccc1 ZINC000192053423 432329233 /nfs/dbraw/zinc/32/92/33/432329233.db2.gz PJRNTPADHVSYER-KSFYIVLOSA-N 1 1 311.450 3.469 10 30 DGEEMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000192053423 432329235 /nfs/dbraw/zinc/32/92/35/432329235.db2.gz PJRNTPADHVSYER-KSFYIVLOSA-N 1 1 311.450 3.469 10 30 DGEEMO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248639279 432309553 /nfs/dbraw/zinc/30/95/53/432309553.db2.gz WQWMNUDDAVMGJQ-PKOBYXMFSA-N 1 1 312.457 3.349 10 30 DGEEMO C(#Cc1ccccc1)CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000191900135 432313205 /nfs/dbraw/zinc/31/32/05/432313205.db2.gz HGHBFEWWZZJHNG-UHFFFAOYSA-N 1 1 304.437 3.246 10 30 DGEEMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](O)COc1ccccc1C(C)C ZINC000249913673 432362023 /nfs/dbraw/zinc/36/20/23/432362023.db2.gz WTVUELXOZCLTDX-JKSUJKDBSA-N 1 1 304.434 3.031 10 30 DGEEMO CC[N@H+](C[C@@H](C)C#N)C[C@@H](O)COc1ccccc1C(C)C ZINC000249913673 432362026 /nfs/dbraw/zinc/36/20/26/432362026.db2.gz WTVUELXOZCLTDX-JKSUJKDBSA-N 1 1 304.434 3.031 10 30 DGEEMO C=C[C@H](CC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000153676192 432431335 /nfs/dbraw/zinc/43/13/35/432431335.db2.gz ABNMOKYNDOGEMF-IAGOWNOFSA-N 1 1 300.446 3.337 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000185570990 432510994 /nfs/dbraw/zinc/51/09/94/432510994.db2.gz AYCPBGFHGCBFLB-FUHWJXTLSA-N 1 1 300.446 3.370 10 30 DGEEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177171598 432594200 /nfs/dbraw/zinc/59/42/00/432594200.db2.gz CSZAMPNLSKHZHA-WMLDXEAASA-N 1 1 322.374 3.225 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195329939 432619235 /nfs/dbraw/zinc/61/92/35/432619235.db2.gz HEHMKTFRZRNTJO-OAHLLOKOSA-N 1 1 321.490 3.056 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160022457 432704650 /nfs/dbraw/zinc/70/46/50/432704650.db2.gz AORWMRQMIXZXBM-SJLPKXTDSA-N 1 1 315.461 3.257 10 30 DGEEMO C=CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000188225093 432713166 /nfs/dbraw/zinc/71/31/66/432713166.db2.gz UYPRYXQTSFBOIN-NXHRZFHOSA-N 1 1 300.446 3.287 10 30 DGEEMO C[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1cccc(Cl)c1 ZINC000161129556 432761643 /nfs/dbraw/zinc/76/16/43/432761643.db2.gz FIIJRXBRAGIOIH-UHFFFAOYSA-N 1 1 310.788 3.491 10 30 DGEEMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1cccc(Cl)c1 ZINC000161129556 432761647 /nfs/dbraw/zinc/76/16/47/432761647.db2.gz FIIJRXBRAGIOIH-UHFFFAOYSA-N 1 1 310.788 3.491 10 30 DGEEMO C[C@]1(CNc2ccc(C#N)cn2)CCC[N@H+]1Cc1ccccc1 ZINC000160799168 432742907 /nfs/dbraw/zinc/74/29/07/432742907.db2.gz IXUYFNBMFHYYJD-LJQANCHMSA-N 1 1 306.413 3.420 10 30 DGEEMO C[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccccc1 ZINC000245771705 432862448 /nfs/dbraw/zinc/86/24/48/432862448.db2.gz RZETZFFNIBOVJR-AUUYWEPGSA-N 1 1 302.381 3.399 10 30 DGEEMO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccccc1 ZINC000245771705 432862451 /nfs/dbraw/zinc/86/24/51/432862451.db2.gz RZETZFFNIBOVJR-AUUYWEPGSA-N 1 1 302.381 3.399 10 30 DGEEMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246052936 432875215 /nfs/dbraw/zinc/87/52/15/432875215.db2.gz QGUDTUSZCBQXOJ-CDHQVMDDSA-N 1 1 306.409 3.470 10 30 DGEEMO C[C@H](NC(=O)[C@]1(C)CCCNC1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000330310797 289234928 /nfs/dbraw/zinc/23/49/28/289234928.db2.gz NNMHZTPOLRCRMO-SUNYJGFJSA-N 1 1 321.465 3.353 10 30 DGEEMO C[C@@H](NCC[N@H+]1CCCC(C)(C)C1)c1ccc(C#N)cc1F ZINC000447576810 433234244 /nfs/dbraw/zinc/23/42/44/433234244.db2.gz CKLUTSGMIQYXBU-CQSZACIVSA-N 1 1 303.425 3.470 10 30 DGEEMO C[C@@H]([NH2+]CCN1CCCC(C)(C)C1)c1ccc(C#N)cc1F ZINC000447576810 433234256 /nfs/dbraw/zinc/23/42/56/433234256.db2.gz CKLUTSGMIQYXBU-CQSZACIVSA-N 1 1 303.425 3.470 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000448370493 433399865 /nfs/dbraw/zinc/39/98/65/433399865.db2.gz IPLCKAZTSYDGJS-MRXNPFEDSA-N 1 1 317.429 3.021 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000448368594 433400291 /nfs/dbraw/zinc/40/02/91/433400291.db2.gz WSUSYGHBZLLREA-TXPKVOOTSA-N 1 1 317.429 3.020 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1 ZINC000448377197 433403142 /nfs/dbraw/zinc/40/31/42/433403142.db2.gz RGWQWYGVLKCYBN-BXWFABGCSA-N 1 1 317.429 3.020 10 30 DGEEMO C=C(C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000454730582 433524327 /nfs/dbraw/zinc/52/43/27/433524327.db2.gz IJOTVDSTZMSPEY-HOTGVXAUSA-N 1 1 321.852 3.351 10 30 DGEEMO C=C(C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000454730582 433524331 /nfs/dbraw/zinc/52/43/31/433524331.db2.gz IJOTVDSTZMSPEY-HOTGVXAUSA-N 1 1 321.852 3.351 10 30 DGEEMO C=C[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000362368293 433663745 /nfs/dbraw/zinc/66/37/45/433663745.db2.gz ACRAJCUMKWLSCZ-GZBFAFLISA-N 1 1 307.463 3.005 10 30 DGEEMO C[N@H+]1CC[C@@H](Nc2ncccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000301872344 433771336 /nfs/dbraw/zinc/77/13/36/433771336.db2.gz KUZWIONXCBAHHN-HZPDHXFCSA-N 1 1 312.804 3.464 10 30 DGEEMO C#CCC(C)(C)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000376956282 433841923 /nfs/dbraw/zinc/84/19/23/433841923.db2.gz RHOISSSKXYIBKQ-KRWDZBQOSA-N 1 1 312.457 3.159 10 30 DGEEMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000305059913 434029259 /nfs/dbraw/zinc/02/92/59/434029259.db2.gz GGAHPCBESOPSCJ-PBHICJAKSA-N 1 1 305.418 3.168 10 30 DGEEMO C=CCOc1ccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1Cl ZINC000377787644 433996234 /nfs/dbraw/zinc/99/62/34/433996234.db2.gz WBOVSXDNEMSDJZ-CYBMUJFWSA-N 1 1 317.820 3.275 10 30 DGEEMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000450286942 434079444 /nfs/dbraw/zinc/07/94/44/434079444.db2.gz MVZRGPFJVNMRFI-LSDHHAIUSA-N 1 1 306.837 3.414 10 30 DGEEMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000450286942 434079450 /nfs/dbraw/zinc/07/94/50/434079450.db2.gz MVZRGPFJVNMRFI-LSDHHAIUSA-N 1 1 306.837 3.414 10 30 DGEEMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1nc(C#N)cs1 ZINC000352831460 434056366 /nfs/dbraw/zinc/05/63/66/434056366.db2.gz CWIGTHGVWMFRCE-UHFFFAOYSA-N 1 1 314.458 3.015 10 30 DGEEMO Cn1ccc([C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)c2ccc(F)cc2)n1 ZINC000365812486 434309064 /nfs/dbraw/zinc/30/90/64/434309064.db2.gz DNUBEIFMBXDTNY-MZMPZRCHSA-N 1 1 312.392 3.321 10 30 DGEEMO CC(C)[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CCCCNC2=O)C1 ZINC000328795496 434314889 /nfs/dbraw/zinc/31/48/89/434314889.db2.gz UCXBSZHJKULSLP-HUUCEWRRSA-N 1 1 309.454 3.210 10 30 DGEEMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)C1 ZINC000328830122 434316403 /nfs/dbraw/zinc/31/64/03/434316403.db2.gz KKNMMNLQXBIRAE-DJIMGWMZSA-N 1 1 321.428 3.343 10 30 DGEEMO COc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1O ZINC000358587985 434399677 /nfs/dbraw/zinc/39/96/77/434399677.db2.gz LJRTVHPPVXJOJG-LLVKDONJSA-N 1 1 300.333 3.262 10 30 DGEEMO CC(C)n1ncc2c1C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000329603131 434441107 /nfs/dbraw/zinc/44/11/07/434441107.db2.gz YIZMUDMQQHNLMC-DZKIICNBSA-N 1 1 318.465 3.008 10 30 DGEEMO C#Cc1ccc(C[N@@H+]2CC[C@H](OCc3c(C)noc3C)C2)cc1 ZINC000370730477 434618459 /nfs/dbraw/zinc/61/84/59/434618459.db2.gz OJWSHXQDSDFRMT-SFHVURJKSA-N 1 1 310.397 3.064 10 30 DGEEMO C=CCN1CC[C@H]([N@H+](C)[C@H](c2ccccc2C)C(C)C)C1=O ZINC000410394065 434645360 /nfs/dbraw/zinc/64/53/60/434645360.db2.gz TZPPBDMUKKUOPA-ROUUACIJSA-N 1 1 300.446 3.411 10 30 DGEEMO Cc1ccnc(C2CC[NH+](Cc3cc(C#N)ccc3F)CC2)n1 ZINC000371828871 434757497 /nfs/dbraw/zinc/75/74/97/434757497.db2.gz NILTTXHKSZKHHR-UHFFFAOYSA-N 1 1 310.376 3.175 10 30 DGEEMO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1 ZINC000573229021 434884395 /nfs/dbraw/zinc/88/43/95/434884395.db2.gz OHAIVVOGIDOAFS-GUDVDZBRSA-N 1 1 300.446 3.214 10 30 DGEEMO C=CCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000573229021 434884398 /nfs/dbraw/zinc/88/43/98/434884398.db2.gz OHAIVVOGIDOAFS-GUDVDZBRSA-N 1 1 300.446 3.214 10 30 DGEEMO C=CCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000573229021 434884400 /nfs/dbraw/zinc/88/44/00/434884400.db2.gz OHAIVVOGIDOAFS-GUDVDZBRSA-N 1 1 300.446 3.214 10 30 DGEEMO C=CC[C@H](CC)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000466321866 435072265 /nfs/dbraw/zinc/07/22/65/435072265.db2.gz AQDMEOZDZYXFDF-ROUUACIJSA-N 1 1 315.461 3.257 10 30 DGEEMO CC#CC[N@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000533531949 435242966 /nfs/dbraw/zinc/24/29/66/435242966.db2.gz NUNGMLLFSUDXSP-UHFFFAOYSA-N 1 1 314.477 3.222 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000565854519 435283109 /nfs/dbraw/zinc/28/31/09/435283109.db2.gz OERKVLOFBATTBQ-LZLYRXPVSA-N 1 1 300.446 3.368 10 30 DGEEMO C=CC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C1CC1 ZINC000536742411 435408574 /nfs/dbraw/zinc/40/85/74/435408574.db2.gz KHKAZPZBLCARKJ-LBPRGKRZSA-N 1 1 316.228 3.384 10 30 DGEEMO C=CCCC[N@H+](C)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000537517785 435445986 /nfs/dbraw/zinc/44/59/86/435445986.db2.gz UBOFPJAULHOXRJ-OAHLLOKOSA-N 1 1 310.800 3.482 10 30 DGEEMO C=CCCC[N@H+](C)Cc1cc(C)c(OCC(=O)OC)c(C)c1 ZINC000538735928 435518675 /nfs/dbraw/zinc/51/86/75/435518675.db2.gz NKZDLRLZDZUCFP-UHFFFAOYSA-N 1 1 305.418 3.253 10 30 DGEEMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccccc1OC ZINC000532503478 336252593 /nfs/dbraw/zinc/25/25/93/336252593.db2.gz QQZTTYISKXUCIJ-UHFFFAOYSA-N 1 1 324.424 3.364 10 30 DGEEMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccccc1OC ZINC000532503478 336252594 /nfs/dbraw/zinc/25/25/94/336252594.db2.gz QQZTTYISKXUCIJ-UHFFFAOYSA-N 1 1 324.424 3.364 10 30 DGEEMO N#Cc1cccc(-c2c[nH]c3[nH+]ccc(N4CCC[C@H](O)C4)c23)c1 ZINC000584598763 337370629 /nfs/dbraw/zinc/37/06/29/337370629.db2.gz HXQZQGAYLZDSQO-HNNXBMFYSA-N 1 1 318.380 3.063 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000499255736 340033509 /nfs/dbraw/zinc/03/35/09/340033509.db2.gz ZEFOQCXLAXHWBI-SJORKVTESA-N 1 1 303.446 3.480 10 30 DGEEMO C=CCCc1ccccc1NC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000505038681 340159663 /nfs/dbraw/zinc/15/96/63/340159663.db2.gz LAYJDZRFQAMSCS-GJZGRUSLSA-N 1 1 301.434 3.362 10 30 DGEEMO C=CCSCC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000543755231 341057161 /nfs/dbraw/zinc/05/71/61/341057161.db2.gz SWBLRARBPAHRSP-WMZOPIPTSA-N 1 1 304.503 3.406 10 30 DGEEMO C=CC[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000249130051 341394429 /nfs/dbraw/zinc/39/44/29/341394429.db2.gz DHVSMGLSQDURRP-QZTJIDSGSA-N 1 1 300.446 3.289 10 30 DGEEMO Cc1cc([C@@H]2C[N@H+](CCCSCC#N)CCO2)ccc1F ZINC000128685864 534048227 /nfs/dbraw/zinc/04/82/27/534048227.db2.gz XRCAOVJYOCVSHC-INIZCTEOSA-N 1 1 308.422 3.154 10 30 DGEEMO Cc1cc([C@@H]2C[N@@H+](CCCSCC#N)CCO2)ccc1F ZINC000128685864 534048234 /nfs/dbraw/zinc/04/82/34/534048234.db2.gz XRCAOVJYOCVSHC-INIZCTEOSA-N 1 1 308.422 3.154 10 30 DGEEMO C=CCC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000036095533 518718464 /nfs/dbraw/zinc/71/84/64/518718464.db2.gz FUVAGZZUMKRDJG-MSOLQXFVSA-N 1 1 307.409 3.134 10 30 DGEEMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000157964515 523522444 /nfs/dbraw/zinc/52/24/44/523522444.db2.gz MBDWBCDQVNGTNE-AWEZNQCLSA-N 1 1 313.426 3.403 10 30 DGEEMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000318446084 534784879 /nfs/dbraw/zinc/78/48/79/534784879.db2.gz OWZQPKJOGIRRQU-CGTJXYLNSA-N 1 1 302.393 3.213 10 30 DGEEMO C=CCN(CCc1ccco1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000355822569 526317706 /nfs/dbraw/zinc/31/77/06/526317706.db2.gz UYEFRSGNAKYADJ-INIZCTEOSA-N 1 1 304.434 3.101 10 30 DGEEMO C=CC[N@@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1ccccc1 ZINC000184973733 526332778 /nfs/dbraw/zinc/33/27/78/526332778.db2.gz KPAJWXIGJHAWPM-UHFFFAOYSA-N 1 1 308.385 3.263 10 30 DGEEMO C=CC[N@H+](Cc1cc(-c2cnn(C)c2)no1)Cc1ccccc1 ZINC000184973733 526332785 /nfs/dbraw/zinc/33/27/85/526332785.db2.gz KPAJWXIGJHAWPM-UHFFFAOYSA-N 1 1 308.385 3.263 10 30 DGEEMO C=C(C)CC[N@@H+](CCO)Cc1cc(Br)ccc1F ZINC000352024525 526440630 /nfs/dbraw/zinc/44/06/30/526440630.db2.gz HLCOWDXMMLNJBV-UHFFFAOYSA-N 1 1 316.214 3.349 10 30 DGEEMO C=C(C)C[N@@H+](C)Cc1nc2cc(C(=O)OCC)ccc2n1CC ZINC000343715432 526503874 /nfs/dbraw/zinc/50/38/74/526503874.db2.gz AFLLFQJPZMZUMQ-UHFFFAOYSA-N 1 1 315.417 3.241 10 30 DGEEMO C=C(C)C[N@H+](C)Cc1nc2cc(C(=O)OCC)ccc2n1CC ZINC000343715432 526503880 /nfs/dbraw/zinc/50/38/80/526503880.db2.gz AFLLFQJPZMZUMQ-UHFFFAOYSA-N 1 1 315.417 3.241 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000185093548 526699831 /nfs/dbraw/zinc/69/98/31/526699831.db2.gz PNIANSCLRWQTEY-ZIAGYGMSSA-N 1 1 306.475 3.213 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000185093548 526699834 /nfs/dbraw/zinc/69/98/34/526699834.db2.gz PNIANSCLRWQTEY-ZIAGYGMSSA-N 1 1 306.475 3.213 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000341483283 526705081 /nfs/dbraw/zinc/70/50/81/526705081.db2.gz KBDYQNXKSCBCAO-FUHWJXTLSA-N 1 1 300.446 3.322 10 30 DGEEMO C=C1CC[NH+](CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)CC1 ZINC000342004241 526901293 /nfs/dbraw/zinc/90/12/93/526901293.db2.gz NNPLHUDKJUMGKY-QGZVFWFLSA-N 1 1 312.457 3.466 10 30 DGEEMO C=CCOc1cccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000431751091 526911400 /nfs/dbraw/zinc/91/14/00/526911400.db2.gz CEVIJKAGOROMHH-MRXNPFEDSA-N 1 1 302.418 3.454 10 30 DGEEMO C=CCOc1ccccc1C[N@H+](C)C1CCC(NC(C)=O)CC1 ZINC000346284114 526929799 /nfs/dbraw/zinc/92/97/99/526929799.db2.gz YWWPFYKSXDUEBC-UHFFFAOYSA-N 1 1 316.445 3.131 10 30 DGEEMO C=CCCC[C@@H](C)[N@@H+](C)CCn1cc(Br)cn1 ZINC000344227711 527249861 /nfs/dbraw/zinc/24/98/61/527249861.db2.gz PKGXRKLMIRRPDA-GFCCVEGCSA-N 1 1 300.244 3.322 10 30 DGEEMO CCCCCCCC[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000174882569 528127986 /nfs/dbraw/zinc/12/79/86/528127986.db2.gz FVBGOOLPVHSCBJ-LJQANCHMSA-N 1 1 309.542 3.449 10 30 DGEEMO C#CCN(C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C1CCCCC1 ZINC000730912239 574538339 /nfs/dbraw/zinc/53/83/39/574538339.db2.gz QPLQVOBAAOHXEW-CALCHBBNSA-N 1 1 319.493 3.227 10 30 DGEEMO COC(=O)CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C(C)C ZINC000735311808 574697042 /nfs/dbraw/zinc/69/70/42/574697042.db2.gz VYVAGENBJUGVTD-UHFFFAOYSA-N 1 1 324.808 3.016 10 30 DGEEMO CCCCC[N@@H+](CCO)Cc1cc(Cl)ccc1OCC#N ZINC000735364032 574700113 /nfs/dbraw/zinc/70/01/13/574700113.db2.gz KNSQTGCFYHXYFD-UHFFFAOYSA-N 1 1 310.825 3.227 10 30 DGEEMO C=CCc1ccc(OC(=O)[C@@H](CC)[NH+](CC)CC)c(OC)c1 ZINC000735994980 574726337 /nfs/dbraw/zinc/72/63/37/574726337.db2.gz VIHUOSGLAKVNJR-OAHLLOKOSA-N 1 1 305.418 3.450 10 30 DGEEMO C=C(C)CNC(=S)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000741500513 574960347 /nfs/dbraw/zinc/96/03/47/574960347.db2.gz ZCGFKRLGXUNTSS-DZGCQCFKSA-N 1 1 323.531 3.171 10 30 DGEEMO Cn1cc[nH+]c1C[C@H](/N=C/c1cccc(O)c1O)c1ccccc1 ZINC000743044464 575032788 /nfs/dbraw/zinc/03/27/88/575032788.db2.gz KCNPSPOCAGIVHU-REIAIGDLSA-N 1 1 321.380 3.234 10 30 DGEEMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000131134728 625949764 /nfs/dbraw/zinc/94/97/64/625949764.db2.gz MDWAPNWDRTXQFB-GOSISDBHSA-N 1 1 321.428 3.347 10 30 DGEEMO CCOc1ccc(O)c(/C=N\C[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000255117226 655601603 /nfs/dbraw/zinc/60/16/03/655601603.db2.gz ITICGHFVEGKRBL-VXIUPONVSA-N 1 1 304.434 3.330 10 30 DGEEMO CC(C)C[N@H+]1CCC[C@@H]1CN=Cc1cc2ccccc2[nH]c1=O ZINC000255633954 655883406 /nfs/dbraw/zinc/88/34/06/655883406.db2.gz KBORDPMMLDRLQG-LELXDKESSA-N 1 1 311.429 3.480 10 30 DGEEMO C#CCOc1ccc([C@H](C)[NH2+]Cc2nccn2CC(C)C)cc1 ZINC000164786766 658946035 /nfs/dbraw/zinc/94/60/35/658946035.db2.gz AULHZQIXYGTBHR-INIZCTEOSA-N 1 1 311.429 3.402 10 30 DGEEMO C=CCSc1nnc([C@@H]2CCC[N@H+](C/C(C)=C\C)C2)n1C ZINC000229848978 659284892 /nfs/dbraw/zinc/28/48/92/659284892.db2.gz QZUPVGZLKYVCCA-CNTYAEFGSA-N 1 1 306.479 3.239 10 30 DGEEMO CC[C@H](C)C[N@@H+](CC)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000174944236 659913882 /nfs/dbraw/zinc/91/38/82/659913882.db2.gz FQBXICIIEXRHQI-AWEZNQCLSA-N 1 1 311.433 3.451 10 30 DGEEMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000159917539 661897849 /nfs/dbraw/zinc/89/78/49/661897849.db2.gz KCHRZFRZKAKHNP-UONOGXRCSA-N 1 1 309.417 3.061 10 30 DGEEMO C=CCCC[N@H+](C)Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000076734204 661995591 /nfs/dbraw/zinc/99/55/91/661995591.db2.gz KKQVABXPCCNWSB-UHFFFAOYSA-N 1 1 314.385 3.149 10 30 DGEEMO C#CC[N@H+](CCCS(=O)(=O)c1ccc(C)cc1)C1CCCC1 ZINC000091591351 662309302 /nfs/dbraw/zinc/30/93/02/662309302.db2.gz DXGTZTKXSDUJAY-UHFFFAOYSA-N 1 1 319.470 3.037 10 30 DGEEMO C[C@H](Cc1ccsc1)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000081598040 1197238003 /nfs/dbraw/zinc/23/80/03/1197238003.db2.gz CCLXMTLILZGYDJ-CYBMUJFWSA-N 1 1 313.426 3.121 10 30 DGEEMO C[C@H](Cc1ccsc1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000081598040 1197238005 /nfs/dbraw/zinc/23/80/05/1197238005.db2.gz CCLXMTLILZGYDJ-CYBMUJFWSA-N 1 1 313.426 3.121 10 30 DGEEMO C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000404077471 1199533902 /nfs/dbraw/zinc/53/39/02/1199533902.db2.gz NTOVOGROKUCDOW-MRXNPFEDSA-N 1 1 323.415 3.404 10 30 DGEEMO N#Cc1ccc(Br)cc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000124424040 1200353743 /nfs/dbraw/zinc/35/37/43/1200353743.db2.gz RQCMUWNJQYISPP-NSHDSACASA-N 1 1 320.234 3.217 10 30 DGEEMO C#CCCOc1ccc(C[NH2+]Cc2nc3ccccc3n2C)cc1 ZINC000237748245 1202694746 /nfs/dbraw/zinc/69/47/46/1202694746.db2.gz JFTRGJFXRURWEF-UHFFFAOYSA-N 1 1 319.408 3.265 10 30 DGEEMO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)o1 ZINC000092666863 185332275 /nfs/dbraw/zinc/33/22/75/185332275.db2.gz FGANFKACNNCKCG-KRWDZBQOSA-N 1 1 314.360 3.472 10 30 DGEEMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)o1 ZINC000092666863 185332276 /nfs/dbraw/zinc/33/22/76/185332276.db2.gz FGANFKACNNCKCG-KRWDZBQOSA-N 1 1 314.360 3.472 10 30 DGEEMO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000066851612 432022487 /nfs/dbraw/zinc/02/24/87/432022487.db2.gz VCIBSYBJBKQQIB-JXFKEZNVSA-N 1 1 322.408 3.399 10 30 DGEEMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000066851612 432022489 /nfs/dbraw/zinc/02/24/89/432022489.db2.gz VCIBSYBJBKQQIB-JXFKEZNVSA-N 1 1 322.408 3.399 10 30 DGEEMO C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@H](c1ccc(F)cc1)[C@@H]2C(=O)OC ZINC000005605889 181263046 /nfs/dbraw/zinc/26/30/46/181263046.db2.gz BNBZBLRBYOEGLO-HZMVEIRTSA-N 1 1 303.377 3.121 10 30 DGEEMO C=CCCCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474072373 244368098 /nfs/dbraw/zinc/36/80/98/244368098.db2.gz IDMYYQRDWLRJKC-SFHVURJKSA-N 1 1 315.461 3.259 10 30 DGEEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000246452419 432132956 /nfs/dbraw/zinc/13/29/56/432132956.db2.gz OTEJHHABEZHKNI-XHDPSFHLSA-N 1 1 320.824 3.062 10 30 DGEEMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000246487726 432136237 /nfs/dbraw/zinc/13/62/37/432136237.db2.gz AKWCBXMKPZYCDK-HOCLYGCPSA-N 1 1 317.433 3.123 10 30 DGEEMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000246487726 432136241 /nfs/dbraw/zinc/13/62/41/432136241.db2.gz AKWCBXMKPZYCDK-HOCLYGCPSA-N 1 1 317.433 3.123 10 30 DGEEMO C[NH+](C)C=CC(=CC(=O)C(F)(F)F)Nc1ccc(F)cc1 ZINC000033910923 257211764 /nfs/dbraw/zinc/21/17/64/257211764.db2.gz NSJVWZSRKSURAR-GHYOLMRSSA-N 1 1 302.271 3.328 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000581888214 400083459 /nfs/dbraw/zinc/08/34/59/400083459.db2.gz VUOYDRDIGGQKKC-VQIMIIECSA-N 1 1 300.446 3.370 10 30 DGEEMO N#Cc1ccc(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)c(F)c1 ZINC000611118746 400347351 /nfs/dbraw/zinc/34/73/51/400347351.db2.gz HQLAMYHCNYHTMG-HNNXBMFYSA-N 1 1 317.389 3.295 10 30 DGEEMO C=CC[C@H]1CC[N@H+](C[C@H](O)COc2ccc(SC)cc2)C1 ZINC000625701895 401186199 /nfs/dbraw/zinc/18/61/99/401186199.db2.gz LZDBKAXWTNTPEZ-GJZGRUSLSA-N 1 1 307.459 3.046 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2nc(-c3ccc(C)c(OC)c3)no2)C1 ZINC000625703393 401187780 /nfs/dbraw/zinc/18/77/80/401187780.db2.gz KPTMLBIVZSSHAQ-CQSZACIVSA-N 1 1 313.401 3.452 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2cc(OC)ncc2Br)C1 ZINC000625705646 401188204 /nfs/dbraw/zinc/18/82/04/401188204.db2.gz SAFOBNLFDWLCEA-LLVKDONJSA-N 1 1 311.223 3.251 10 30 DGEEMO C=CC[C@H]1CC[N@@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000625703379 401188384 /nfs/dbraw/zinc/18/83/84/401188384.db2.gz KMBFRMRUYPGWAW-NSHDSACASA-N 1 1 303.793 3.387 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000625703379 401188386 /nfs/dbraw/zinc/18/83/86/401188386.db2.gz KMBFRMRUYPGWAW-NSHDSACASA-N 1 1 303.793 3.387 10 30 DGEEMO C=CCOCCN[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000625982871 401272087 /nfs/dbraw/zinc/27/20/87/401272087.db2.gz VZVZJZWEGQJOGI-OAHLLOKOSA-N 1 1 317.260 3.388 10 30 DGEEMO C=C1CC(C)(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000631294471 401446906 /nfs/dbraw/zinc/44/69/06/401446906.db2.gz LRPIFCZWVWWRFT-SJORKVTESA-N 1 1 304.478 3.456 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2cn3ccc(Br)cc3n2)C1 ZINC000628407140 401592655 /nfs/dbraw/zinc/59/26/55/401592655.db2.gz ZVOHIDCFZBQPOQ-GFCCVEGCSA-N 1 1 320.234 3.495 10 30 DGEEMO C=CCOc1c(Cl)cc(C[N@@H+](C)[C@H]2CCOC2)cc1OC ZINC000628163600 401540163 /nfs/dbraw/zinc/54/01/63/401540163.db2.gz KICDUCXSNGUEMR-ZDUSSCGKSA-N 1 1 311.809 3.134 10 30 DGEEMO C=C[C@@H]1OCCC[C@H]1Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624256901 401644235 /nfs/dbraw/zinc/64/42/35/401644235.db2.gz MANMMYNVTNGTLL-SJORKVTESA-N 1 1 322.412 3.142 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000624375030 401656577 /nfs/dbraw/zinc/65/65/77/401656577.db2.gz DVZROVWQRMOFGX-HOTGVXAUSA-N 1 1 305.466 3.001 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000624544324 401670266 /nfs/dbraw/zinc/67/02/66/401670266.db2.gz MLHFAPCXDFGVOU-WBVHZDCISA-N 1 1 305.466 3.001 10 30 DGEEMO Cn1cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)cc1C#N ZINC000191438012 165251202 /nfs/dbraw/zinc/25/12/02/165251202.db2.gz WUZYAUDNSXQOIR-ZBFHGGJFSA-N 1 1 315.442 3.046 10 30 DGEEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(c2cccc(F)c2C#N)C1 ZINC000190450869 432159626 /nfs/dbraw/zinc/15/96/26/432159626.db2.gz JTICCNFLDVEGPM-INIZCTEOSA-N 1 1 324.403 3.051 10 30 DGEEMO C=CCCCC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000190540828 432167784 /nfs/dbraw/zinc/16/77/84/432167784.db2.gz RZZNCIWAIGIZDC-OAHLLOKOSA-N 1 1 321.490 3.088 10 30 DGEEMO Cc1ccc(NC[C@H](C)[N@H+]2CCc3sccc3C2)nc1C#N ZINC000302609497 230317712 /nfs/dbraw/zinc/31/77/12/230317712.db2.gz DTWVBVQGHSTYPE-ZDUSSCGKSA-N 1 1 312.442 3.182 10 30 DGEEMO C=CC[NH+](CC=C)CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 ZINC000114723974 431407367 /nfs/dbraw/zinc/40/73/67/431407367.db2.gz WCHMQKQNJNHQKB-GOSISDBHSA-N 1 1 314.429 3.033 10 30 DGEEMO C=CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000076491831 431553752 /nfs/dbraw/zinc/55/37/52/431553752.db2.gz OBYOPBMGTXTABW-CRAIPNDOSA-N 1 1 316.445 3.054 10 30 DGEEMO C=CCN(CC[C@@H]1CCC[N@@H+]1C)Cc1cccc([N+](=O)[O-])c1 ZINC000119610623 431713487 /nfs/dbraw/zinc/71/34/87/431713487.db2.gz GROGFSCMBCKNTR-INIZCTEOSA-N 1 1 303.406 3.067 10 30 DGEEMO C=CCOc1ccc(C[N@H+](C)CC(=O)NC(C)(C)C)cc1Cl ZINC000120647671 431730902 /nfs/dbraw/zinc/73/09/02/431730902.db2.gz WWFRHBQCZSOELY-UHFFFAOYSA-N 1 1 324.852 3.251 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](C)CC(=O)NC(C)(C)C)cc1Cl ZINC000120647671 431730908 /nfs/dbraw/zinc/73/09/08/431730908.db2.gz WWFRHBQCZSOELY-UHFFFAOYSA-N 1 1 324.852 3.251 10 30 DGEEMO O[C@@H](C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000121924478 431808431 /nfs/dbraw/zinc/80/84/31/431808431.db2.gz CQZFMAQTGWBIHM-ZJUUUORDSA-N 1 1 319.220 3.332 10 30 DGEEMO C#CCOc1ccc(C[N@@H+]2CCC[C@H](n3cc(C)cn3)C2)cc1 ZINC000123052845 431853462 /nfs/dbraw/zinc/85/34/62/431853462.db2.gz SIWXJNJYBIQREQ-SFHVURJKSA-N 1 1 309.413 3.041 10 30 DGEEMO C[C@H](C#N)Oc1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000092810784 431911669 /nfs/dbraw/zinc/91/16/69/431911669.db2.gz KZIRXUXGLDSMDR-CQSZACIVSA-N 1 1 310.401 3.080 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@H]2C)cc1 ZINC000093638623 431915422 /nfs/dbraw/zinc/91/54/22/431915422.db2.gz ZQIUSMJIZLVOLN-VQIMIIECSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(CC)C[C@H]2C)cc1 ZINC000093638623 431915423 /nfs/dbraw/zinc/91/54/23/431915423.db2.gz ZQIUSMJIZLVOLN-VQIMIIECSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000093638623 431915425 /nfs/dbraw/zinc/91/54/25/431915425.db2.gz ZQIUSMJIZLVOLN-VQIMIIECSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000093638623 431915427 /nfs/dbraw/zinc/91/54/27/431915427.db2.gz ZQIUSMJIZLVOLN-VQIMIIECSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCCC[N@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000093533543 431915984 /nfs/dbraw/zinc/91/59/84/431915984.db2.gz TYFPOKCPGCXAPR-UHFFFAOYSA-N 1 1 308.223 3.495 10 30 DGEEMO C#CCCOc1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000093691332 431917119 /nfs/dbraw/zinc/91/71/19/431917119.db2.gz JXTUMMSSLWAVRQ-HXUWFJFHSA-N 1 1 322.408 3.137 10 30 DGEEMO N#Cc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2c2nccs2)cc1 ZINC000127340606 431970306 /nfs/dbraw/zinc/97/03/06/431970306.db2.gz GPOTXNHQENVQQP-CVEARBPZSA-N 1 1 313.426 3.275 10 30 DGEEMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2c2nccs2)cc1 ZINC000127340606 431970309 /nfs/dbraw/zinc/97/03/09/431970309.db2.gz GPOTXNHQENVQQP-CVEARBPZSA-N 1 1 313.426 3.275 10 30 DGEEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000248392321 432284292 /nfs/dbraw/zinc/28/42/92/432284292.db2.gz FHJYRAKSUMBDAI-KBAYOESNSA-N 1 1 313.445 3.036 10 30 DGEEMO C=C[C@H](CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1 ZINC000248069888 432265180 /nfs/dbraw/zinc/26/51/80/432265180.db2.gz QEOUNFQXBSWAPJ-NEWSRXKRSA-N 1 1 312.457 3.289 10 30 DGEEMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)cc1C ZINC000249146241 432341137 /nfs/dbraw/zinc/34/11/37/432341137.db2.gz UDRGYVRDUXZGDJ-JQHSSLGASA-N 1 1 312.413 3.173 10 30 DGEEMO C=CCOc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000175591309 432450801 /nfs/dbraw/zinc/45/08/01/432450801.db2.gz ZNLIBEYENNAQIW-GDBMZVCRSA-N 1 1 317.433 3.198 10 30 DGEEMO C#CC[N@@H+](Cc1nnc(-c2ccccc2OC)o1)C1CCCC1 ZINC000155881767 432578043 /nfs/dbraw/zinc/57/80/43/432578043.db2.gz ITZLETREQLMPID-UHFFFAOYSA-N 1 1 311.385 3.123 10 30 DGEEMO C#CC[N@H+](Cc1nnc(-c2ccccc2OC)o1)C1CCCC1 ZINC000155881767 432578047 /nfs/dbraw/zinc/57/80/47/432578047.db2.gz ITZLETREQLMPID-UHFFFAOYSA-N 1 1 311.385 3.123 10 30 DGEEMO C=CCSc1ccccc1NC(=O)C[N@H+](C)C[C@H]1CCCO1 ZINC000263959593 432597916 /nfs/dbraw/zinc/59/79/16/432597916.db2.gz ZRKFMZGUCMCOJC-CQSZACIVSA-N 1 1 320.458 3.014 10 30 DGEEMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CCCO1 ZINC000263959593 432597921 /nfs/dbraw/zinc/59/79/21/432597921.db2.gz ZRKFMZGUCMCOJC-CQSZACIVSA-N 1 1 320.458 3.014 10 30 DGEEMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC000187954490 432695482 /nfs/dbraw/zinc/69/54/82/432695482.db2.gz WNPSRYVUCMTSRV-DNVCBOLYSA-N 1 1 300.446 3.471 10 30 DGEEMO CC(C)[N@@H+](CCOc1cccc(C#N)c1)CCc1nccs1 ZINC000159891263 432699089 /nfs/dbraw/zinc/69/90/89/432699089.db2.gz PMJGXJCJCFQQCR-UHFFFAOYSA-N 1 1 315.442 3.347 10 30 DGEEMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000160001342 432702242 /nfs/dbraw/zinc/70/22/42/432702242.db2.gz PIFMXHZHMRQYNA-QGZVFWFLSA-N 1 1 324.428 3.254 10 30 DGEEMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188087370 432703118 /nfs/dbraw/zinc/70/31/18/432703118.db2.gz VNLRCDKRMKIZPB-XWIAVFTESA-N 1 1 312.438 3.389 10 30 DGEEMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188132635 432707182 /nfs/dbraw/zinc/70/71/82/432707182.db2.gz CNWWZQROZLKUEC-ROUUACIJSA-N 1 1 312.438 3.136 10 30 DGEEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C#N)c2C)[C@H](C)C1 ZINC000178549885 432750652 /nfs/dbraw/zinc/75/06/52/432750652.db2.gz IGTIPYLAYHPDJA-DYVFJYSZSA-N 1 1 314.433 3.061 10 30 DGEEMO Cc1ccc(N2CCC(Nc3nc(C)ccc3C#N)CC2)[nH+]c1 ZINC000161553382 432786244 /nfs/dbraw/zinc/78/62/44/432786244.db2.gz KCMCFKQSFVDPSH-UHFFFAOYSA-N 1 1 307.401 3.046 10 30 DGEEMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000245808262 432864495 /nfs/dbraw/zinc/86/44/95/432864495.db2.gz YYHHSDAXIXILPA-KDOFPFPSSA-N 1 1 310.401 3.048 10 30 DGEEMO COc1cc(C#N)ccc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000245929453 432871832 /nfs/dbraw/zinc/87/18/32/432871832.db2.gz PBJLBXQMWLSWJP-MSOLQXFVSA-N 1 1 313.445 3.014 10 30 DGEEMO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)c2ccc(C#N)cc2)cc1 ZINC000246002461 432874246 /nfs/dbraw/zinc/87/42/46/432874246.db2.gz JZABORGVJBERKO-VQTJNVASSA-N 1 1 322.408 3.437 10 30 DGEEMO C[C@]1(CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CCCC[C@@H]1O ZINC000330025789 432889083 /nfs/dbraw/zinc/88/90/83/432889083.db2.gz KUUNYETWEFUYJR-JENIJYKNSA-N 1 1 316.445 3.159 10 30 DGEEMO C[C@]1(CNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CCCC[C@@H]1O ZINC000330025789 432889084 /nfs/dbraw/zinc/88/90/84/432889084.db2.gz KUUNYETWEFUYJR-JENIJYKNSA-N 1 1 316.445 3.159 10 30 DGEEMO C=CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000245676896 432853722 /nfs/dbraw/zinc/85/37/22/432853722.db2.gz UGNIPNKVMZPTHC-ZWKOTPCHSA-N 1 1 313.445 3.039 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000446736445 433096598 /nfs/dbraw/zinc/09/65/98/433096598.db2.gz ULNVAUJJURYTGU-IBGZPJMESA-N 1 1 300.446 3.075 10 30 DGEEMO C=CCCCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000448028515 433350595 /nfs/dbraw/zinc/35/05/95/433350595.db2.gz DDJZTUYWHHFBDF-ZBFHGGJFSA-N 1 1 321.490 3.396 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000299566756 433373501 /nfs/dbraw/zinc/37/35/01/433373501.db2.gz GJKLTTHAVHCVHU-AWEZNQCLSA-N 1 1 321.490 3.233 10 30 DGEEMO C=CCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000447989647 433340438 /nfs/dbraw/zinc/34/04/38/433340438.db2.gz ITLDPZICBLQWBQ-JKSUJKDBSA-N 1 1 321.852 3.351 10 30 DGEEMO C=CCCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000447989647 433340446 /nfs/dbraw/zinc/34/04/46/433340446.db2.gz ITLDPZICBLQWBQ-JKSUJKDBSA-N 1 1 321.852 3.351 10 30 DGEEMO C=CCCCNC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000448254259 433383134 /nfs/dbraw/zinc/38/31/34/433383134.db2.gz CMZJVVNNRUJNEP-SFHVURJKSA-N 1 1 315.461 3.259 10 30 DGEEMO CC[N@H+]1CCCC[C@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000301249512 433468527 /nfs/dbraw/zinc/46/85/27/433468527.db2.gz BTVCCQNCYPEVBY-LBPRGKRZSA-N 1 1 312.339 3.258 10 30 DGEEMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000362143850 433547288 /nfs/dbraw/zinc/54/72/88/433547288.db2.gz YLDPINDFUXVABP-ZWKOTPCHSA-N 1 1 316.420 3.456 10 30 DGEEMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000362143850 433547294 /nfs/dbraw/zinc/54/72/94/433547294.db2.gz YLDPINDFUXVABP-ZWKOTPCHSA-N 1 1 316.420 3.456 10 30 DGEEMO CCc1nnc(NCC[N@@H+](C)C2CCCCC2)c(C#N)c1CC ZINC000301634409 433650534 /nfs/dbraw/zinc/65/05/34/433650534.db2.gz VSDCFUIYAHLPBU-UHFFFAOYSA-N 1 1 315.465 3.149 10 30 DGEEMO C[N@H+]1CC[C@H](Nc2ncccc2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000301872348 433769121 /nfs/dbraw/zinc/76/91/21/433769121.db2.gz KUZWIONXCBAHHN-JKSUJKDBSA-N 1 1 312.804 3.464 10 30 DGEEMO C=CCc1cc(C[N@@H+]2CCC[C@H](COC)CC2)cc(OC)c1O ZINC000449768659 433778274 /nfs/dbraw/zinc/77/82/74/433778274.db2.gz AQHYUSTZYNYJPN-HNNXBMFYSA-N 1 1 319.445 3.378 10 30 DGEEMO Cn1nccc1[C@H]1CCCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000377197706 433851461 /nfs/dbraw/zinc/85/14/61/433851461.db2.gz RHOJSZNTUUYCNQ-LJQANCHMSA-N 1 1 324.428 3.288 10 30 DGEEMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000449934142 433881495 /nfs/dbraw/zinc/88/14/95/433881495.db2.gz HTFGHAYTANVPFS-HIFRSBDPSA-N 1 1 306.475 3.459 10 30 DGEEMO CC(=O)Nc1ccn([C@@H]2CC[N@@H+](Cc3sccc3C)C2)n1 ZINC000328645536 434291710 /nfs/dbraw/zinc/29/17/10/434291710.db2.gz ZTQRVJAIAYVBQX-CYBMUJFWSA-N 1 1 304.419 3.308 10 30 DGEEMO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H](n3cccn3)C2)[C@@H]1C ZINC000328687707 434302378 /nfs/dbraw/zinc/30/23/78/434302378.db2.gz HEQSZARRFXLKDY-NCOADZHNSA-N 1 1 318.465 3.301 10 30 DGEEMO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H](n3cccn3)C2)[C@@H]1C ZINC000328687707 434302388 /nfs/dbraw/zinc/30/23/88/434302388.db2.gz HEQSZARRFXLKDY-NCOADZHNSA-N 1 1 318.465 3.301 10 30 DGEEMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)C1 ZINC000328830132 434316061 /nfs/dbraw/zinc/31/60/61/434316061.db2.gz KKNMMNLQXBIRAE-PVAVHDDUSA-N 1 1 321.428 3.343 10 30 DGEEMO CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(OC3CCCC3)nc2)C1 ZINC000329285607 434387429 /nfs/dbraw/zinc/38/74/29/434387429.db2.gz GONHYAUDZDGXHR-OAHLLOKOSA-N 1 1 317.433 3.192 10 30 DGEEMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CCCCNC2=O)C1 ZINC000329317686 434389505 /nfs/dbraw/zinc/38/95/05/434389505.db2.gz DEZGJNOFFZCUOE-HZPDHXFCSA-N 1 1 323.481 3.458 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000358394091 434392389 /nfs/dbraw/zinc/39/23/89/434392389.db2.gz FXASCOBGTQURFC-MJGOQNOKSA-N 1 1 302.462 3.398 10 30 DGEEMO C=CCc1cc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cc(OC)c1O ZINC000438362154 434470461 /nfs/dbraw/zinc/47/04/61/434470461.db2.gz WTPGECSCODSJGN-MJBXVCDLSA-N 1 1 305.418 3.127 10 30 DGEEMO C=CCc1cc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cc(OC)c1O ZINC000438362154 434470468 /nfs/dbraw/zinc/47/04/68/434470468.db2.gz WTPGECSCODSJGN-MJBXVCDLSA-N 1 1 305.418 3.127 10 30 DGEEMO C=CCCC[C@H](C)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000372465360 434830340 /nfs/dbraw/zinc/83/03/40/434830340.db2.gz PYKYSDUMMDWUSB-KBPBESRZSA-N 1 1 303.450 3.499 10 30 DGEEMO C=CCC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000463777707 434969294 /nfs/dbraw/zinc/96/92/94/434969294.db2.gz VIPLTQLLCORADJ-MOPGFXCFSA-N 1 1 312.457 3.432 10 30 DGEEMO C=CCCC[N@H+](C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000524248143 434973242 /nfs/dbraw/zinc/97/32/42/434973242.db2.gz MMFNXLJWYJHYFH-AWEZNQCLSA-N 1 1 317.351 3.343 10 30 DGEEMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](c3cccc(F)c3)C2(C)C)C1=O ZINC000528773084 435028931 /nfs/dbraw/zinc/02/89/31/435028931.db2.gz GTGBLLFWTUCCIU-IAGOWNOFSA-N 1 1 316.420 3.181 10 30 DGEEMO C=CCCC[C@@H](C)[N@H+]1CCCN(c2nc(CC)ns2)CC1 ZINC000536995560 435420619 /nfs/dbraw/zinc/42/06/19/435420619.db2.gz SXNLWJKCMAKRLF-CQSZACIVSA-N 1 1 308.495 3.357 10 30 DGEEMO C=CCCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000514992304 435454085 /nfs/dbraw/zinc/45/40/85/435454085.db2.gz OGEBBUCOBAFZAR-OAHLLOKOSA-N 1 1 309.841 3.208 10 30 DGEEMO C=CCCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000514992302 435454465 /nfs/dbraw/zinc/45/44/65/435454465.db2.gz OGEBBUCOBAFZAR-HNNXBMFYSA-N 1 1 309.841 3.208 10 30 DGEEMO CCC[C@@H]1CN(c2ccncc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000548490419 435699195 /nfs/dbraw/zinc/69/91/95/435699195.db2.gz VKBQILWLLUJKAB-LJQANCHMSA-N 1 1 320.440 3.444 10 30 DGEEMO C[N@H+]1CCC[C@H](CNC[C@@H](C#N)CCC#N)[C@H]1c1cccs1 ZINC000572831302 435872520 /nfs/dbraw/zinc/87/25/20/435872520.db2.gz JTQLDOZUMWLVHH-INMHGKMJSA-N 1 1 316.474 3.164 10 30 DGEEMO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H]1CC=CCC1 ZINC000543175540 314118481 /nfs/dbraw/zinc/11/84/81/314118481.db2.gz CTNVYWPUPJURIJ-ZDUSSCGKSA-N 1 1 317.820 3.438 10 30 DGEEMO CC(C)c1ccc(C[NH+]2CCN(c3ccncc3C#N)CC2)cc1 ZINC000558969857 314870284 /nfs/dbraw/zinc/87/02/84/314870284.db2.gz AGPPRJPHZWDCIN-UHFFFAOYSA-N 1 1 320.440 3.399 10 30 DGEEMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1nnc2ccccn21 ZINC000570140578 315627369 /nfs/dbraw/zinc/62/73/69/315627369.db2.gz MFTDOZHZEKKOMO-QGZVFWFLSA-N 1 1 317.396 3.158 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000303753539 334330188 /nfs/dbraw/zinc/33/01/88/334330188.db2.gz MJWYJFKWRHSDTF-KRWDZBQOSA-N 1 1 300.446 3.058 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000185053411 337201484 /nfs/dbraw/zinc/20/14/84/337201484.db2.gz QRAAFUGAUUFRGC-AEFFLSMTSA-N 1 1 300.446 3.370 10 30 DGEEMO CC#CCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544579446 341087074 /nfs/dbraw/zinc/08/70/74/341087074.db2.gz RXGOSSSKDNPBOD-MRXNPFEDSA-N 1 1 313.445 3.023 10 30 DGEEMO C=CCN(Cc1cccs1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132333217 341121002 /nfs/dbraw/zinc/12/10/02/341121002.db2.gz JXETYRVQAUKDRO-HOCLYGCPSA-N 1 1 321.490 3.174 10 30 DGEEMO C=CCC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000459054256 534598638 /nfs/dbraw/zinc/59/86/38/534598638.db2.gz SPJKFRCWGMWKFZ-HOTGVXAUSA-N 1 1 307.482 3.247 10 30 DGEEMO C=CC[N@@H+](Cc1cc(Br)ccc1C(=O)OC)C1CC1 ZINC000338280668 526333026 /nfs/dbraw/zinc/33/30/26/526333026.db2.gz CZXBEPHNNQSNIT-UHFFFAOYSA-N 1 1 324.218 3.386 10 30 DGEEMO C=CC[N@H+](Cc1cc(Br)ccc1C(=O)OC)C1CC1 ZINC000338280668 526333028 /nfs/dbraw/zinc/33/30/28/526333028.db2.gz CZXBEPHNNQSNIT-UHFFFAOYSA-N 1 1 324.218 3.386 10 30 DGEEMO C=CC[NH+]1CCC(N[C@@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000337503730 526452527 /nfs/dbraw/zinc/45/25/27/526452527.db2.gz DBXWACLIVIEVLZ-HNNXBMFYSA-N 1 1 302.466 3.299 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000342054337 526694197 /nfs/dbraw/zinc/69/41/97/526694197.db2.gz ZTLOILBGNGPOCX-QGZVFWFLSA-N 1 1 324.509 3.186 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000185368267 526703243 /nfs/dbraw/zinc/70/32/43/526703243.db2.gz NHZKJDGMRBBWIW-MRXNPFEDSA-N 1 1 316.445 3.102 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)cc1 ZINC000352383707 526867124 /nfs/dbraw/zinc/86/71/24/526867124.db2.gz MLFAACYMIUFBSG-KRWDZBQOSA-N 1 1 311.429 3.365 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)cc1 ZINC000355152123 526869591 /nfs/dbraw/zinc/86/95/91/526869591.db2.gz SLUMQJVXUJQHFN-GBESFXJTSA-N 1 1 317.429 3.020 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000346998766 527191516 /nfs/dbraw/zinc/19/15/16/527191516.db2.gz YNYLPQKIAOTVTM-UHFFFAOYSA-N 1 1 324.852 3.075 10 30 DGEEMO C=CCc1cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc(OC)c1O ZINC000355116066 527236773 /nfs/dbraw/zinc/23/67/73/527236773.db2.gz SAGQTJPLABYPIH-DLBZAZTESA-N 1 1 317.429 3.130 10 30 DGEEMO C=CCn1c(C)cc(C(=O)C[N@H+](C(C)C)C2CCOCC2)c1C ZINC000177653674 527292286 /nfs/dbraw/zinc/29/22/86/527292286.db2.gz GNRIACYOTDYNMP-UHFFFAOYSA-N 1 1 318.461 3.363 10 30 DGEEMO C#Cc1cccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3CC)C2)c1 ZINC000133189193 527455063 /nfs/dbraw/zinc/45/50/63/527455063.db2.gz NMAUUUDKIAAOIB-QGZVFWFLSA-N 1 1 322.412 3.296 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338341890 527631532 /nfs/dbraw/zinc/63/15/32/527631532.db2.gz LIIYBNUZHKEWDX-INIZCTEOSA-N 1 1 314.429 3.348 10 30 DGEEMO CCCC[N@@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1F ZINC000356990442 528397574 /nfs/dbraw/zinc/39/75/74/528397574.db2.gz UAWQAHHHXBRLBH-UHFFFAOYSA-N 1 1 319.424 3.190 10 30 DGEEMO C=CCOc1cccc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000245770327 546299709 /nfs/dbraw/zinc/29/97/09/546299709.db2.gz ROZKPNQRZGHJGI-PKOBYXMFSA-N 1 1 301.430 3.378 10 30 DGEEMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](C1CC1)C1CCCC1 ZINC000131046851 625936736 /nfs/dbraw/zinc/93/67/36/625936736.db2.gz CLUBQSAMZSIIDX-UHFFFAOYSA-N 1 1 321.428 3.490 10 30 DGEEMO C#CCCOc1ccc(CNCC[N@H+](C)C2CCCCC2)cc1 ZINC000237156522 657336300 /nfs/dbraw/zinc/33/63/00/657336300.db2.gz ZIOHPMZMHKICLY-UHFFFAOYSA-N 1 1 314.473 3.443 10 30 DGEEMO C#CCCOc1ccc(C[NH2+]CCN(C)C2CCCCC2)cc1 ZINC000237156522 657336301 /nfs/dbraw/zinc/33/63/01/657336301.db2.gz ZIOHPMZMHKICLY-UHFFFAOYSA-N 1 1 314.473 3.443 10 30 DGEEMO Cc1[nH+]ccn1CCCNc1c(C#N)cnc2ccc(F)cc21 ZINC000223149685 658964639 /nfs/dbraw/zinc/96/46/39/658964639.db2.gz QZISMMKZBVWTRL-UHFFFAOYSA-N 1 1 309.348 3.253 10 30 DGEEMO C#CC[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)C1CCCC1 ZINC000155837981 661853596 /nfs/dbraw/zinc/85/35/96/661853596.db2.gz JCLZBWVBZUNSDK-UHFFFAOYSA-N 1 1 322.355 3.104 10 30 DGEEMO C#CC[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)C1CCCC1 ZINC000155837981 661853597 /nfs/dbraw/zinc/85/35/97/661853597.db2.gz JCLZBWVBZUNSDK-UHFFFAOYSA-N 1 1 322.355 3.104 10 30 DGEEMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000192048143 662086270 /nfs/dbraw/zinc/08/62/70/662086270.db2.gz XJPBCJRGWBVSQF-QGZVFWFLSA-N 1 1 314.429 3.027 10 30 DGEEMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000192048143 662086272 /nfs/dbraw/zinc/08/62/72/662086272.db2.gz XJPBCJRGWBVSQF-QGZVFWFLSA-N 1 1 314.429 3.027 10 30 DGEEMO CC[N@@H+](CCc1nccs1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093764515 662359571 /nfs/dbraw/zinc/35/95/71/662359571.db2.gz UFWYJMGANUCRKB-AWEZNQCLSA-N 1 1 315.442 3.499 10 30 DGEEMO C[C@H]1C[C@@H](C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)CC[N@H+]1C ZINC000329576807 1177023202 /nfs/dbraw/zinc/02/32/02/1177023202.db2.gz OJUVGFUMMSXRDY-AEGPPILISA-N 1 1 315.417 3.449 10 30 DGEEMO C[C@@H](Cc1ccsc1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000081598989 1197237543 /nfs/dbraw/zinc/23/75/43/1197237543.db2.gz LMKDXFOIPITGCV-NSHDSACASA-N 1 1 319.455 3.183 10 30 DGEEMO C[C@@H](Cc1ccsc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000081598989 1197237546 /nfs/dbraw/zinc/23/75/46/1197237546.db2.gz LMKDXFOIPITGCV-NSHDSACASA-N 1 1 319.455 3.183 10 30 DGEEMO C=CC[C@H](C(=O)NC[C@H]1CC[N@H+](CCC)C1)c1ccccc1 ZINC000275388777 1202844317 /nfs/dbraw/zinc/84/43/17/1202844317.db2.gz XKDGSMHEOUMMCI-AEFFLSMTSA-N 1 1 300.446 3.194 10 30 DGEEMO Cc1nc(C#N)cc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000308274831 1094301258 /nfs/dbraw/zinc/30/12/58/1094301258.db2.gz UXNPGEXMJYFWCS-GOSISDBHSA-N 1 1 321.428 3.123 10 30 DGEEMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCCSCC1 ZINC000089983317 185274069 /nfs/dbraw/zinc/27/40/69/185274069.db2.gz DWGPAJZSLVVHEZ-CQSZACIVSA-N 1 1 324.515 3.090 10 30 DGEEMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@H]3c3ccco3)C2=O)cc1 ZINC000247574679 283167328 /nfs/dbraw/zinc/16/73/28/283167328.db2.gz XGITVPMJQNKGGG-IRXDYDNUSA-N 1 1 321.380 3.094 10 30 DGEEMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@H]3c3ccco3)C2=O)cc1 ZINC000247574679 283167330 /nfs/dbraw/zinc/16/73/30/283167330.db2.gz XGITVPMJQNKGGG-IRXDYDNUSA-N 1 1 321.380 3.094 10 30 DGEEMO C#Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000179478398 199042434 /nfs/dbraw/zinc/04/24/34/199042434.db2.gz JMGLJQSTUBZCDK-OALUTQOASA-N 1 1 319.408 3.235 10 30 DGEEMO CC1(C)CCC[N@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000170872852 432085419 /nfs/dbraw/zinc/08/54/19/432085419.db2.gz YAIYKDZGMHNLIG-UHFFFAOYSA-N 1 1 317.458 3.311 10 30 DGEEMO CO[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)CC[C@@H]1C ZINC000189251348 200370655 /nfs/dbraw/zinc/37/06/55/200370655.db2.gz FLJZEJULJGHARL-NHYWBVRUSA-N 1 1 323.234 3.178 10 30 DGEEMO CO[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)CC[C@@H]1C ZINC000189251348 200370656 /nfs/dbraw/zinc/37/06/56/200370656.db2.gz FLJZEJULJGHARL-NHYWBVRUSA-N 1 1 323.234 3.178 10 30 DGEEMO CO[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)CC[C@H]1C ZINC000189251324 200370766 /nfs/dbraw/zinc/37/07/66/200370766.db2.gz FLJZEJULJGHARL-ABAIWWIYSA-N 1 1 323.234 3.178 10 30 DGEEMO CO[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)CC[C@H]1C ZINC000189251324 200370768 /nfs/dbraw/zinc/37/07/68/200370768.db2.gz FLJZEJULJGHARL-ABAIWWIYSA-N 1 1 323.234 3.178 10 30 DGEEMO COc1ccc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)cc1C#N ZINC000135101165 432097586 /nfs/dbraw/zinc/09/75/86/432097586.db2.gz IUBWSXGMJXHCGJ-GOSISDBHSA-N 1 1 314.429 3.490 10 30 DGEEMO CCCCC[N@@H+](CCCOC)Cc1cnc2ccc(C#N)cn12 ZINC000180877590 432104706 /nfs/dbraw/zinc/10/47/06/432104706.db2.gz CKXSMQYNYFACET-UHFFFAOYSA-N 1 1 314.433 3.235 10 30 DGEEMO C=CCNc1[nH+]cnc(N2CCC(Cc3ccccc3)CC2)c1N ZINC000040708850 183121062 /nfs/dbraw/zinc/12/10/62/183121062.db2.gz VGRSMJZCLDYSGM-UHFFFAOYSA-N 1 1 323.444 3.116 10 30 DGEEMO C=CC[N@@H+]1CC[C@]23CC(=O)C[C@@H](C)[C@H]2[C@H]1Cc1ccc(O)cc13 ZINC000040791387 183133963 /nfs/dbraw/zinc/13/39/63/183133963.db2.gz PZHULVXDBMMNAZ-NWTFUFRBSA-N 1 1 311.425 3.062 10 30 DGEEMO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](C)/C(N)=N/O ZINC000042445143 183271411 /nfs/dbraw/zinc/27/14/11/183271411.db2.gz DHKGOPNQUZIVIV-VIFPVBQESA-N 1 1 304.221 3.198 10 30 DGEEMO CCCC(=O)N[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000158040598 197237652 /nfs/dbraw/zinc/23/76/52/197237652.db2.gz NAXLENSKTRUJJU-KRWDZBQOSA-N 1 1 318.848 3.072 10 30 DGEEMO CCCC(=O)N[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000158040598 197237653 /nfs/dbraw/zinc/23/76/53/197237653.db2.gz NAXLENSKTRUJJU-KRWDZBQOSA-N 1 1 318.848 3.072 10 30 DGEEMO Cc1cnc(CC[N@@H+](C)CCCOc2cccc(C#N)c2)s1 ZINC000157610785 197202063 /nfs/dbraw/zinc/20/20/63/197202063.db2.gz HJBMZYAHQNPSSS-UHFFFAOYSA-N 1 1 315.442 3.267 10 30 DGEEMO Cc1cc(C#N)cc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000342792060 254051722 /nfs/dbraw/zinc/05/17/22/254051722.db2.gz SCTOOHGIBFEEQE-IBGZPJMESA-N 1 1 320.440 3.363 10 30 DGEEMO C=CC[C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000617042873 400291077 /nfs/dbraw/zinc/29/10/77/400291077.db2.gz WMKINIMSPQAGJH-HUUCEWRRSA-N 1 1 301.434 3.013 10 30 DGEEMO C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000617044657 400292386 /nfs/dbraw/zinc/29/23/86/400292386.db2.gz QIZYEUCFNAIDBT-GOEBONIOSA-N 1 1 317.433 3.135 10 30 DGEEMO C[C@@H]1Cc2ccccc2N1C1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000610968381 400329719 /nfs/dbraw/zinc/32/97/19/400329719.db2.gz FUMOCPDSCJDMJF-SJORKVTESA-N 1 1 322.456 3.346 10 30 DGEEMO CC(=O)N1CC[C@H]([NH2+]Cc2cccc(F)c2C#N)c2ccccc21 ZINC000602014439 400403195 /nfs/dbraw/zinc/40/31/95/400403195.db2.gz DJRMUKQYCQUCER-SFHVURJKSA-N 1 1 323.371 3.285 10 30 DGEEMO COc1ccc(-c2cc(C[NH+]3CCC(C)(C#N)CC3)on2)cc1 ZINC000611553564 400419580 /nfs/dbraw/zinc/41/95/80/400419580.db2.gz WKDLRSYFQXQBQY-UHFFFAOYSA-N 1 1 311.385 3.476 10 30 DGEEMO Cc1ccnc(N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1C#N ZINC000612085342 400489548 /nfs/dbraw/zinc/48/95/48/400489548.db2.gz ZQTWBSFNZCFEDT-KRWDZBQOSA-N 1 1 317.396 3.391 10 30 DGEEMO C=CCC[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)C(=O)OCC ZINC000602683977 400537527 /nfs/dbraw/zinc/53/75/27/400537527.db2.gz ZCOILDJENOGUJX-WMZOPIPTSA-N 1 1 316.445 3.000 10 30 DGEEMO C=CCCC[N@H+](C)[C@@H](C)C(=O)NC(=O)Nc1ccc(C)cc1C ZINC000076733832 400669734 /nfs/dbraw/zinc/66/97/34/400669734.db2.gz MSHJPSRVVZCFSE-HNNXBMFYSA-N 1 1 317.433 3.238 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@H+](Cc1ccco1)C1CCCC1 ZINC000052077009 400716685 /nfs/dbraw/zinc/71/66/85/400716685.db2.gz XBJRKWGRONEABB-UHFFFAOYSA-N 1 1 302.418 3.225 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000052077009 400716691 /nfs/dbraw/zinc/71/66/91/400716691.db2.gz XBJRKWGRONEABB-UHFFFAOYSA-N 1 1 302.418 3.225 10 30 DGEEMO C=CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000179267747 400877289 /nfs/dbraw/zinc/87/72/89/400877289.db2.gz UGNIPNKVMZPTHC-MSOLQXFVSA-N 1 1 313.445 3.039 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000605738747 400884704 /nfs/dbraw/zinc/88/47/04/400884704.db2.gz DTAOHSIDQITILB-IBGZPJMESA-N 1 1 300.446 3.460 10 30 DGEEMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000620302927 401050635 /nfs/dbraw/zinc/05/06/35/401050635.db2.gz CYHHSPYDLNBQHM-GBESFXJTSA-N 1 1 310.441 3.218 10 30 DGEEMO C=CC[N@H+](CCC(=O)OC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063381132 401189464 /nfs/dbraw/zinc/18/94/64/401189464.db2.gz GAJLTCNQAYVIOJ-UHFFFAOYSA-N 1 1 320.389 3.315 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2ccc(O[C@H](C)C(=O)OC)cc2)C1 ZINC000600186605 401214157 /nfs/dbraw/zinc/21/41/57/401214157.db2.gz RXURJNIYKHAJTN-HUUCEWRRSA-N 1 1 303.402 3.025 10 30 DGEEMO C=CC[C@@H]1CC[N@@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000625703180 401187262 /nfs/dbraw/zinc/18/72/62/401187262.db2.gz RBIGTZJTMDIADG-CZUORRHYSA-N 1 1 302.443 3.388 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000625703790 401188180 /nfs/dbraw/zinc/18/81/80/401188180.db2.gz PDNUGEXUBKSZDB-KPFFTGBYSA-N 1 1 315.457 3.340 10 30 DGEEMO C[N@H+]1CC[C@H](Nc2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000089652045 401234603 /nfs/dbraw/zinc/23/46/03/401234603.db2.gz KYCUJCGSHAPASR-RDJZCZTQSA-N 1 1 312.804 3.464 10 30 DGEEMO C=CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000626142494 401311499 /nfs/dbraw/zinc/31/14/99/401311499.db2.gz KARLHUBIDWKPCV-CQSZACIVSA-N 1 1 318.417 3.073 10 30 DGEEMO C=C1CC(C)(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000631294464 401447013 /nfs/dbraw/zinc/44/70/13/401447013.db2.gz LRPIFCZWVWWRFT-IAGOWNOFSA-N 1 1 304.478 3.456 10 30 DGEEMO C=CC(C)(C)CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000628316882 401574848 /nfs/dbraw/zinc/57/48/48/401574848.db2.gz MWPQDRJHUVVRTA-KRWDZBQOSA-N 1 1 315.461 3.012 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000623855638 401588312 /nfs/dbraw/zinc/58/83/12/401588312.db2.gz DSAIXWJMDYQGFK-IAGOWNOFSA-N 1 1 315.461 3.115 10 30 DGEEMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189663149 165172867 /nfs/dbraw/zinc/17/28/67/165172867.db2.gz YNVARRGMZIDYFE-CQSZACIVSA-N 1 1 321.428 3.042 10 30 DGEEMO Fc1ccc(C#CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246963948 432185319 /nfs/dbraw/zinc/18/53/19/432185319.db2.gz VBDXVRCSYVBSCH-FXAWDEMLSA-N 1 1 312.432 3.126 10 30 DGEEMO CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+](CCCC#N)C1CC1 ZINC000190935701 432203966 /nfs/dbraw/zinc/20/39/66/432203966.db2.gz HPMBMEOKFUNLNQ-OAHLLOKOSA-N 1 1 307.438 3.154 10 30 DGEEMO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000180125158 228355527 /nfs/dbraw/zinc/35/55/27/228355527.db2.gz CXNAKRDECKAQOZ-MAUKXSAKSA-N 1 1 324.428 3.147 10 30 DGEEMO C[C@]1(CNc2cnccc2C#N)CCC[N@H+]1Cc1ccccc1 ZINC000397912228 267261995 /nfs/dbraw/zinc/26/19/95/267261995.db2.gz IFBTZBNGHXCYQK-LJQANCHMSA-N 1 1 306.413 3.420 10 30 DGEEMO N#CCSCCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000074990214 431447563 /nfs/dbraw/zinc/44/75/63/431447563.db2.gz ZXRMRVWABXNYKH-AWEZNQCLSA-N 1 1 304.415 3.199 10 30 DGEEMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116288761 431499605 /nfs/dbraw/zinc/49/96/05/431499605.db2.gz CSPGVDZJTGHFJR-INIZCTEOSA-N 1 1 309.369 3.317 10 30 DGEEMO C=CCCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000076735602 431561589 /nfs/dbraw/zinc/56/15/89/431561589.db2.gz HAJMLPPJFLXGMP-UHFFFAOYSA-N 1 1 305.378 3.130 10 30 DGEEMO C[C@]1(CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CCCC[C@H]1O ZINC000330025790 280152892 /nfs/dbraw/zinc/15/28/92/280152892.db2.gz KUUNYETWEFUYJR-YQVWRLOYSA-N 1 1 316.445 3.159 10 30 DGEEMO C[C@]1(CNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CCCC[C@H]1O ZINC000330025790 280152895 /nfs/dbraw/zinc/15/28/95/280152895.db2.gz KUUNYETWEFUYJR-YQVWRLOYSA-N 1 1 316.445 3.159 10 30 DGEEMO C=CCCC[N@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000121077039 431745372 /nfs/dbraw/zinc/74/53/72/431745372.db2.gz MDQBDRCLLOQAKR-UPTPFMHGSA-N 1 1 305.466 3.204 10 30 DGEEMO C=CCCC[N@H+](C)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000121134423 431746450 /nfs/dbraw/zinc/74/64/50/431746450.db2.gz HKBDAQWHFUTGGA-ISOUWHGUSA-N 1 1 304.478 3.358 10 30 DGEEMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000093690986 431917441 /nfs/dbraw/zinc/91/74/41/431917441.db2.gz CDNHPFREVVLPPQ-BEFAXECRSA-N 1 1 323.396 3.026 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1OC ZINC000091979073 431905967 /nfs/dbraw/zinc/90/59/67/431905967.db2.gz HLLYLBQRORKWSS-IRXDYDNUSA-N 1 1 317.429 3.403 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1OC ZINC000091979073 431905970 /nfs/dbraw/zinc/90/59/70/431905970.db2.gz HLLYLBQRORKWSS-IRXDYDNUSA-N 1 1 317.429 3.403 10 30 DGEEMO CC[N@@H+](Cc1ccc(C(=O)NC2(C#N)CCCC2)cc1)C(C)C ZINC000101642208 431987191 /nfs/dbraw/zinc/98/71/91/431987191.db2.gz XEZAZMYALZMBKN-UHFFFAOYSA-N 1 1 313.445 3.483 10 30 DGEEMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC000191964318 432317775 /nfs/dbraw/zinc/31/77/75/432317775.db2.gz KAEJUOXVNQHKIX-IEBWSBKVSA-N 1 1 312.457 3.055 10 30 DGEEMO COc1c(C)c[nH+]c(CN(C)Cc2cc(C#N)cs2)c1C ZINC000183780592 432325741 /nfs/dbraw/zinc/32/57/41/432325741.db2.gz DIHICFRFIJSGGU-UHFFFAOYSA-N 1 1 301.415 3.272 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1OC ZINC000174223681 432329723 /nfs/dbraw/zinc/32/97/23/432329723.db2.gz URKNMXNMWDQSQN-UONOGXRCSA-N 1 1 322.424 3.298 10 30 DGEEMO N#Cc1ccc(C[NH2+]Cc2cc(F)cc(Br)c2)o1 ZINC000174295519 432335386 /nfs/dbraw/zinc/33/53/86/432335386.db2.gz BCLXZVILLVRIIJ-UHFFFAOYSA-N 1 1 309.138 3.343 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](NC(C)=O)C2)cc1Cl ZINC000153825123 432447205 /nfs/dbraw/zinc/44/72/05/432447205.db2.gz BNLRCTWGMYKLJB-OAHLLOKOSA-N 1 1 322.836 3.005 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)cc1Cl ZINC000153825123 432447209 /nfs/dbraw/zinc/44/72/09/432447209.db2.gz BNLRCTWGMYKLJB-OAHLLOKOSA-N 1 1 322.836 3.005 10 30 DGEEMO C=CCOc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000175591344 432451403 /nfs/dbraw/zinc/45/14/03/432451403.db2.gz ZNLIBEYENNAQIW-ZBFHGGJFSA-N 1 1 317.433 3.198 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000185571008 432512314 /nfs/dbraw/zinc/51/23/14/432512314.db2.gz AYCPBGFHGCBFLB-SJLPKXTDSA-N 1 1 300.446 3.370 10 30 DGEEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186218191 432570200 /nfs/dbraw/zinc/57/02/00/432570200.db2.gz RRUYXIWRXCLZGJ-SFHVURJKSA-N 1 1 308.429 3.463 10 30 DGEEMO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCCO1 ZINC000156230847 432591288 /nfs/dbraw/zinc/59/12/88/432591288.db2.gz MVICZJRQGQLIPP-HNNXBMFYSA-N 1 1 313.319 3.048 10 30 DGEEMO CCOCC[N@H+]1CCN([C@@H](C)c2cccc(C#N)c2)C[C@H]1CC ZINC000187682388 432675628 /nfs/dbraw/zinc/67/56/28/432675628.db2.gz IMOYDXHVQMQJGL-QFBILLFUSA-N 1 1 315.461 3.052 10 30 DGEEMO CCOCCN1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C[C@H]1CC ZINC000187682388 432675630 /nfs/dbraw/zinc/67/56/30/432675630.db2.gz IMOYDXHVQMQJGL-QFBILLFUSA-N 1 1 315.461 3.052 10 30 DGEEMO CCOCCN1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C[C@H]1CC ZINC000187682388 432675636 /nfs/dbraw/zinc/67/56/36/432675636.db2.gz IMOYDXHVQMQJGL-QFBILLFUSA-N 1 1 315.461 3.052 10 30 DGEEMO C=CCOc1ccc(C[NH2+]C[C@@H](C(C)C)N2CCCC2)cc1 ZINC000236680007 432757005 /nfs/dbraw/zinc/75/70/05/432757005.db2.gz MOLHHSIDXAAINY-IBGZPJMESA-N 1 1 302.462 3.461 10 30 DGEEMO C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000245690491 432856914 /nfs/dbraw/zinc/85/69/14/432856914.db2.gz XCKQUONYEJDWKU-QZTJIDSGSA-N 1 1 320.396 3.125 10 30 DGEEMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1C ZINC000298244659 433067369 /nfs/dbraw/zinc/06/73/69/433067369.db2.gz JLSWGBDADNLCQH-DLBZAZTESA-N 1 1 322.399 3.451 10 30 DGEEMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)c1C ZINC000298244659 433067375 /nfs/dbraw/zinc/06/73/75/433067375.db2.gz JLSWGBDADNLCQH-DLBZAZTESA-N 1 1 322.399 3.451 10 30 DGEEMO COc1cc(C[N@H+]2CC[C@@H](O)c3ccccc3C2)ccc1C#N ZINC000374219671 433180095 /nfs/dbraw/zinc/18/00/95/433180095.db2.gz XWYCSQCTMBOJTK-GOSISDBHSA-N 1 1 308.381 3.006 10 30 DGEEMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)C1=O ZINC000337194557 433215651 /nfs/dbraw/zinc/21/56/51/433215651.db2.gz VKOQCXYDBBYYKN-SJORKVTESA-N 1 1 302.393 3.140 10 30 DGEEMO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425403245 433220353 /nfs/dbraw/zinc/22/03/53/433220353.db2.gz IGBQVHFYXRDJNM-KRWDZBQOSA-N 1 1 316.445 3.083 10 30 DGEEMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425403245 433220363 /nfs/dbraw/zinc/22/03/63/433220363.db2.gz IGBQVHFYXRDJNM-KRWDZBQOSA-N 1 1 316.445 3.083 10 30 DGEEMO C=CCCCNC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000447965554 433333036 /nfs/dbraw/zinc/33/30/36/433333036.db2.gz PQPZDBFTLSPVDI-INIZCTEOSA-N 1 1 303.450 3.162 10 30 DGEEMO C=CCOc1ccc(C[NH2+]C(C)(C)c2cn(C(C)C)nn2)cc1 ZINC000421407197 433552495 /nfs/dbraw/zinc/55/24/95/433552495.db2.gz VLXGFMUHHYWEFB-UHFFFAOYSA-N 1 1 314.433 3.449 10 30 DGEEMO C=CCn1c(C)cc(C(=O)C[N@@H+](C[C@H](C)OC)C(C)C)c1C ZINC000362255340 433605773 /nfs/dbraw/zinc/60/57/73/433605773.db2.gz XCYGAUYBMPLHFO-HNNXBMFYSA-N 1 1 306.450 3.219 10 30 DGEEMO C=CCn1c(C)cc(C(=O)C[N@H+](C[C@H](C)OC)C(C)C)c1C ZINC000362255340 433605784 /nfs/dbraw/zinc/60/57/84/433605784.db2.gz XCYGAUYBMPLHFO-HNNXBMFYSA-N 1 1 306.450 3.219 10 30 DGEEMO C#CCCC[N@H+](CCC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000362430731 433707629 /nfs/dbraw/zinc/70/76/29/433707629.db2.gz RNYQJBCKAVYAQJ-UHFFFAOYSA-N 1 1 314.477 3.188 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000362456685 433729435 /nfs/dbraw/zinc/72/94/35/433729435.db2.gz WSKGQAMAVLMBFE-JKSUJKDBSA-N 1 1 302.418 3.253 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000362456685 433729447 /nfs/dbraw/zinc/72/94/47/433729447.db2.gz WSKGQAMAVLMBFE-JKSUJKDBSA-N 1 1 302.418 3.253 10 30 DGEEMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)c1cccc(C#N)n1 ZINC000301871659 433769194 /nfs/dbraw/zinc/76/91/94/433769194.db2.gz WWLPKWCOJNLTNV-QFBILLFUSA-N 1 1 320.440 3.300 10 30 DGEEMO CCc1nnc(NC[C@H]2CCC[N@H+]2CC(C)C)c(C#N)c1CC ZINC000301787626 433723089 /nfs/dbraw/zinc/72/30/89/433723089.db2.gz XHFUQDINLNJYAA-CQSZACIVSA-N 1 1 315.465 3.005 10 30 DGEEMO Cc1ccc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc1C#N ZINC000302597482 433828391 /nfs/dbraw/zinc/82/83/91/433828391.db2.gz BMZWOAOXFXXIHE-IRXDYDNUSA-N 1 1 312.461 3.353 10 30 DGEEMO CC#CCCCC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000376953411 433842285 /nfs/dbraw/zinc/84/22/85/433842285.db2.gz FNTHFGFABZPXDJ-SFHVURJKSA-N 1 1 312.457 3.303 10 30 DGEEMO C=CC(C)(C)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000449906213 433864682 /nfs/dbraw/zinc/86/46/82/433864682.db2.gz XFIIIWSWZJQFRX-GASCZTMLSA-N 1 1 316.445 3.447 10 30 DGEEMO C=CC(C)(C)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000449906213 433864694 /nfs/dbraw/zinc/86/46/94/433864694.db2.gz XFIIIWSWZJQFRX-GASCZTMLSA-N 1 1 316.445 3.447 10 30 DGEEMO C[N@H+]1CC[C@@H](CNC(=O)c2ccsc2)[C@@H]1c1cccnc1 ZINC000328630483 434290501 /nfs/dbraw/zinc/29/05/01/434290501.db2.gz PYDIVWPYWLCYHE-ZFWWWQNUSA-N 1 1 301.415 3.141 10 30 DGEEMO CC(=O)Nc1ccn([C@@H]2CC[N@H+](Cc3nc(C)c(C)s3)C2)n1 ZINC000328622903 434292003 /nfs/dbraw/zinc/29/20/03/434292003.db2.gz ITEIKBLOCDPMHT-CYBMUJFWSA-N 1 1 319.434 3.011 10 30 DGEEMO CC(=O)Nc1ccn([C@@H]2CC[N@@H+](Cc3nc(C)c(C)s3)C2)n1 ZINC000328622903 434292012 /nfs/dbraw/zinc/29/20/12/434292012.db2.gz ITEIKBLOCDPMHT-CYBMUJFWSA-N 1 1 319.434 3.011 10 30 DGEEMO C[C@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358571696 434398383 /nfs/dbraw/zinc/39/83/83/434398383.db2.gz PITFLNSDIJAIRP-ILXRZTDVSA-N 1 1 303.425 3.468 10 30 DGEEMO C[C@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358571696 434398391 /nfs/dbraw/zinc/39/83/91/434398391.db2.gz PITFLNSDIJAIRP-ILXRZTDVSA-N 1 1 303.425 3.468 10 30 DGEEMO C=CCCCN(C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438164413 434426796 /nfs/dbraw/zinc/42/67/96/434426796.db2.gz XVYLWJNSTOXKKT-QGZVFWFLSA-N 1 1 307.482 3.391 10 30 DGEEMO C#CCCCCC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000367376054 434549127 /nfs/dbraw/zinc/54/91/27/434549127.db2.gz AMOBMQABGLQAMM-SFHVURJKSA-N 1 1 312.457 3.303 10 30 DGEEMO C=C(C)CN(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000371062177 434636174 /nfs/dbraw/zinc/63/61/74/434636174.db2.gz AUNNQHAZQYTWRP-IAGOWNOFSA-N 1 1 319.424 3.179 10 30 DGEEMO C=C(C)CN(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000371062177 434636182 /nfs/dbraw/zinc/63/61/82/434636182.db2.gz AUNNQHAZQYTWRP-IAGOWNOFSA-N 1 1 319.424 3.179 10 30 DGEEMO N#CCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000369706498 434599106 /nfs/dbraw/zinc/59/91/06/434599106.db2.gz KWLSILZETDXHBC-LDLYASANSA-N 1 1 309.457 3.465 10 30 DGEEMO N#CCC1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000369706498 434599108 /nfs/dbraw/zinc/59/91/08/434599108.db2.gz KWLSILZETDXHBC-LDLYASANSA-N 1 1 309.457 3.465 10 30 DGEEMO N#CCC1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000369706498 434599112 /nfs/dbraw/zinc/59/91/12/434599112.db2.gz KWLSILZETDXHBC-LDLYASANSA-N 1 1 309.457 3.465 10 30 DGEEMO C=CC(C)(C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000452774331 434712113 /nfs/dbraw/zinc/71/21/13/434712113.db2.gz KZXCHFJOUWEPPM-UHFFFAOYSA-N 1 1 320.343 3.147 10 30 DGEEMO C[C@@H]1C[C@H](CCNc2ccncc2C#N)C[N@H+]1Cc1ccccc1 ZINC000548162446 435675126 /nfs/dbraw/zinc/67/51/26/435675126.db2.gz DUNRVGSTELGRNS-AEFFLSMTSA-N 1 1 320.440 3.088 10 30 DGEEMO COC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000537175308 337907091 /nfs/dbraw/zinc/90/70/91/337907091.db2.gz CJZYJUFZPLVABM-GOSISDBHSA-N 1 1 301.336 3.294 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)N1CC[NH2+][C@H](c2ccc(CC)cc2)C1 ZINC000505470099 340169132 /nfs/dbraw/zinc/16/91/32/340169132.db2.gz XMMWNBQOHLWPOI-QAPCUYQASA-N 1 1 300.446 3.324 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCc1ccc(F)cc1 ZINC000508660539 340249863 /nfs/dbraw/zinc/24/98/63/340249863.db2.gz HKWNXLIDYSJISM-OAHLLOKOSA-N 1 1 306.425 3.113 10 30 DGEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000302045417 533744608 /nfs/dbraw/zinc/74/46/08/533744608.db2.gz XWSFBHORGGXIBN-AWEZNQCLSA-N 1 1 324.384 3.399 10 30 DGEEMO C=CCC[C@H](O)C[N@H+](CCCOC)Cc1ccc(F)cc1F ZINC000036099722 518723953 /nfs/dbraw/zinc/72/39/53/518723953.db2.gz UACOBKLYZITDAB-INIZCTEOSA-N 1 1 313.388 3.130 10 30 DGEEMO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449516830 534607512 /nfs/dbraw/zinc/60/75/12/534607512.db2.gz CQCZKWCTQDLULO-DBVUQKKJSA-N 1 1 314.473 3.015 10 30 DGEEMO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449516829 534607566 /nfs/dbraw/zinc/60/75/66/534607566.db2.gz CQCZKWCTQDLULO-AHRSYUTCSA-N 1 1 314.473 3.015 10 30 DGEEMO C=C(C)CC[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000352400522 526439997 /nfs/dbraw/zinc/43/99/97/526439997.db2.gz DDUDMCIHDXORRK-UHFFFAOYSA-N 1 1 304.253 3.271 10 30 DGEEMO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(C(=O)OC)cn1 ZINC000352412040 526567985 /nfs/dbraw/zinc/56/79/85/526567985.db2.gz BIAKAGYUQGVTTI-UHFFFAOYSA-N 1 1 310.397 3.447 10 30 DGEEMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)OC)cn1 ZINC000352412040 526567991 /nfs/dbraw/zinc/56/79/91/526567991.db2.gz BIAKAGYUQGVTTI-UHFFFAOYSA-N 1 1 310.397 3.447 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000185468152 526700063 /nfs/dbraw/zinc/70/00/63/526700063.db2.gz XUBSSABJDIAQRC-IEBWSBKVSA-N 1 1 314.473 3.270 10 30 DGEEMO C#CCCCCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000152136439 526701969 /nfs/dbraw/zinc/70/19/69/526701969.db2.gz NJOBVGINPJNTMK-HNNXBMFYSA-N 1 1 324.428 3.344 10 30 DGEEMO C=CCOc1ccc(C[NH2+]C2CCN(C3CCC3)CC2)cc1 ZINC000340434618 526884598 /nfs/dbraw/zinc/88/45/98/526884598.db2.gz OIXWUSGZOUXTRH-UHFFFAOYSA-N 1 1 300.446 3.358 10 30 DGEEMO C=CCOc1cccc(NC(=O)NCC[N@@H+]2CC=C(C)CC2)c1 ZINC000358465226 526914873 /nfs/dbraw/zinc/91/48/73/526914873.db2.gz VUMUKTGEYAWTJT-UHFFFAOYSA-N 1 1 315.417 3.025 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000355658716 526934082 /nfs/dbraw/zinc/93/40/82/526934082.db2.gz MBAHSFOYENPPPR-MJGOQNOKSA-N 1 1 317.429 3.021 10 30 DGEEMO C=CCC(C)(C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000432074350 527009893 /nfs/dbraw/zinc/00/98/93/527009893.db2.gz BTOJAUKMQNURQG-IAGOWNOFSA-N 1 1 315.461 3.333 10 30 DGEEMO C=CCCCN(C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438164412 527184924 /nfs/dbraw/zinc/18/49/24/527184924.db2.gz XVYLWJNSTOXKKT-KRWDZBQOSA-N 1 1 307.482 3.391 10 30 DGEEMO C=CCCC[N@H+](C)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000339002894 527193551 /nfs/dbraw/zinc/19/35/51/527193551.db2.gz NHBLCSMKDAFUPL-WMLDXEAASA-N 1 1 304.409 3.386 10 30 DGEEMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000348269114 527193986 /nfs/dbraw/zinc/19/39/86/527193986.db2.gz DNPPDGDVEXXBPV-CQSZACIVSA-N 1 1 312.417 3.302 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433313085 527612800 /nfs/dbraw/zinc/61/28/00/527612800.db2.gz OTRFRVUZZCQKQP-INIZCTEOSA-N 1 1 318.848 3.330 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433313085 527612804 /nfs/dbraw/zinc/61/28/04/527612804.db2.gz OTRFRVUZZCQKQP-INIZCTEOSA-N 1 1 318.848 3.330 10 30 DGEEMO CC(=O)Nc1ccn([C@H]2CC[N@@H+](CCc3cccs3)C2)n1 ZINC000328625560 528748454 /nfs/dbraw/zinc/74/84/54/528748454.db2.gz KWEGZZFUDDRUJH-ZDUSSCGKSA-N 1 1 304.419 3.042 10 30 DGEEMO CO[C@H](C)c1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000328769420 546481382 /nfs/dbraw/zinc/48/13/82/546481382.db2.gz ILPDSJYSRLEQMY-XYPHTWIQSA-N 1 1 317.433 3.156 10 30 DGEEMO Cc1cc(C)n([C@H](C)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000329195622 546483386 /nfs/dbraw/zinc/48/33/86/546483386.db2.gz VLFHJDGPXDVEFU-HUUCEWRRSA-N 1 1 304.438 3.034 10 30 DGEEMO CN(Cc1cc(Cl)ccc1OCC#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741249160 574954118 /nfs/dbraw/zinc/95/41/18/574954118.db2.gz CTBNUFJEWXQHHB-CQSZACIVSA-N 1 1 321.852 3.016 10 30 DGEEMO Cn1cc[nH+]c1C[C@H](/N=C\c1cccc(O)c1O)c1ccccc1 ZINC000743044462 575033090 /nfs/dbraw/zinc/03/30/90/575033090.db2.gz KCNPSPOCAGIVHU-JHDSZEHQSA-N 1 1 321.380 3.234 10 30 DGEEMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccccc1SC(C)C ZINC000729812052 575263905 /nfs/dbraw/zinc/26/39/05/575263905.db2.gz KKBVHURKEMHMIL-OAHLLOKOSA-N 1 1 317.454 3.442 10 30 DGEEMO N#Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711552201 660956199 /nfs/dbraw/zinc/95/61/99/660956199.db2.gz BCUIROHHPQQNRR-BETUJISGSA-N 1 1 323.259 3.116 10 30 DGEEMO N#Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711552201 660956201 /nfs/dbraw/zinc/95/62/01/660956201.db2.gz BCUIROHHPQQNRR-BETUJISGSA-N 1 1 323.259 3.116 10 30 DGEEMO C=C[C@@](C)(CCOC)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187594271 655552126 /nfs/dbraw/zinc/55/21/26/655552126.db2.gz HRNYCDDIPPUNMZ-MJGOQNOKSA-N 1 1 317.429 3.033 10 30 DGEEMO C[N@@H+](CCCOC(=O)c1cccc(CC#N)c1)Cc1ccccc1 ZINC000177196685 655916973 /nfs/dbraw/zinc/91/69/73/655916973.db2.gz WNBIBGNMIFJOHZ-UHFFFAOYSA-N 1 1 322.408 3.432 10 30 DGEEMO CC(C)c1cccc(NC(=[NH2+])NCCN2CCCC[C@H]2C)c1 ZINC000303904679 657577494 /nfs/dbraw/zinc/57/74/94/657577494.db2.gz VDGDFWPXNBAKPO-OAHLLOKOSA-N 1 1 302.466 3.411 10 30 DGEEMO C#Cc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000182865238 660086932 /nfs/dbraw/zinc/08/69/32/660086932.db2.gz GVNMVRVTEAGKIT-INIZCTEOSA-N 1 1 321.424 3.310 10 30 DGEEMO C#CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)C1CCCC1 ZINC000155870294 661853868 /nfs/dbraw/zinc/85/38/68/661853868.db2.gz LPCVEVWTGUYBMK-HNNXBMFYSA-N 1 1 316.420 3.223 10 30 DGEEMO C=CC[N@H+](CCOC)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000191119280 662054518 /nfs/dbraw/zinc/05/45/18/662054518.db2.gz UIOSKBHHDNNPKM-UHFFFAOYSA-N 1 1 308.447 3.095 10 30 DGEEMO CC[C@@H](C)[N@@H+](C)CCNc1cc(Br)ccc1C#N ZINC000218082393 1202546981 /nfs/dbraw/zinc/54/69/81/1202546981.db2.gz KNBYQUDIXGKIMN-LLVKDONJSA-N 1 1 310.239 3.463 10 30 DGEEMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000062014198 432003377 /nfs/dbraw/zinc/00/33/77/432003377.db2.gz BLSJFRAOXCYMRZ-CYBMUJFWSA-N 1 1 307.825 3.095 10 30 DGEEMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000062014197 432003385 /nfs/dbraw/zinc/00/33/85/432003385.db2.gz BLSJFRAOXCYMRZ-ZDUSSCGKSA-N 1 1 307.825 3.095 10 30 DGEEMO CCC[N@H+](Cc1ccc(C#N)o1)[C@H](C)C(=O)Nc1ccccc1 ZINC000092710627 185335850 /nfs/dbraw/zinc/33/58/50/185335850.db2.gz CUIXUHHUEVGZDW-CQSZACIVSA-N 1 1 311.385 3.390 10 30 DGEEMO CCC[N@@H+](Cc1ccc(C#N)o1)[C@H](C)C(=O)Nc1ccccc1 ZINC000092710627 185335851 /nfs/dbraw/zinc/33/58/51/185335851.db2.gz CUIXUHHUEVGZDW-CQSZACIVSA-N 1 1 311.385 3.390 10 30 DGEEMO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1C ZINC000174528248 198347996 /nfs/dbraw/zinc/34/79/96/198347996.db2.gz PKFXZNCHHWHNAY-SMDDNHRTSA-N 1 1 320.824 3.158 10 30 DGEEMO N#Cc1ccc(N2CC[C@H]([N@@H+]3CCC[C@@H]3c3ccco3)C2=O)cc1 ZINC000247574696 283166979 /nfs/dbraw/zinc/16/69/79/283166979.db2.gz XGITVPMJQNKGGG-SJORKVTESA-N 1 1 321.380 3.094 10 30 DGEEMO N#Cc1ccc(N2CC[C@H]([N@H+]3CCC[C@@H]3c3ccco3)C2=O)cc1 ZINC000247574696 283166984 /nfs/dbraw/zinc/16/69/84/283166984.db2.gz XGITVPMJQNKGGG-SJORKVTESA-N 1 1 321.380 3.094 10 30 DGEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000167443941 432065203 /nfs/dbraw/zinc/06/52/03/432065203.db2.gz KEGGWPXFJPINLZ-AWEZNQCLSA-N 1 1 324.384 3.399 10 30 DGEEMO C/C(=C\c1ccccc1)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000179845632 432072786 /nfs/dbraw/zinc/07/27/86/432072786.db2.gz GEYWVKQQHQVGTJ-SAPNQHFASA-N 1 1 318.424 3.179 10 30 DGEEMO COc1ccc(C[N@H+]2CCC[C@H]2c2c(C)nn(C)c2C)cc1C#N ZINC000135056131 432095984 /nfs/dbraw/zinc/09/59/84/432095984.db2.gz RMASULULRWCCHL-KRWDZBQOSA-N 1 1 324.428 3.254 10 30 DGEEMO CCC[N@H+](Cc1ccc(OC)c(C#N)c1)C[C@@H]1CCCCO1 ZINC000135185392 432104042 /nfs/dbraw/zinc/10/40/42/432104042.db2.gz HHBXROQYOPQCJS-KRWDZBQOSA-N 1 1 302.418 3.348 10 30 DGEEMO Cc1cnn([C@H]2CCC[N@H+](Cc3cn4ccccc4c3C#N)C2)c1 ZINC000106222383 194191658 /nfs/dbraw/zinc/19/16/58/194191658.db2.gz WIEBICFREYBNDO-KRWDZBQOSA-N 1 1 319.412 3.153 10 30 DGEEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3cn4ccccc4c3C#N)C2)c1 ZINC000106222383 194191661 /nfs/dbraw/zinc/19/16/61/194191661.db2.gz WIEBICFREYBNDO-KRWDZBQOSA-N 1 1 319.412 3.153 10 30 DGEEMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CCCC[C@@H](C)C2)c(C#N)c1C ZINC000248566026 285006248 /nfs/dbraw/zinc/00/62/48/285006248.db2.gz OWIVNJCWOYZEJH-YPMHNXCESA-N 1 1 303.406 3.217 10 30 DGEEMO CC[C@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCN1CC(F)F ZINC000249394652 285071199 /nfs/dbraw/zinc/07/11/99/285071199.db2.gz SLWLPJJKOMWRQO-CJNGLKHVSA-N 1 1 307.388 3.281 10 30 DGEEMO CC[C@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCN1CC(F)F ZINC000249394652 285071200 /nfs/dbraw/zinc/07/12/00/285071200.db2.gz SLWLPJJKOMWRQO-CJNGLKHVSA-N 1 1 307.388 3.281 10 30 DGEEMO C=CCC[C@H](C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1)Oc1nccc(C)n1 ZINC000072468076 256545918 /nfs/dbraw/zinc/54/59/18/256545918.db2.gz QBEKYGUIFFHYPU-FGTMMUONSA-N 1 1 313.445 3.397 10 30 DGEEMO C=C(C)COc1cccc(NC(=O)N[C@H]2CCC[N@H+](CC)C2)c1 ZINC000067320895 400162449 /nfs/dbraw/zinc/16/24/49/400162449.db2.gz DGFYCKRAGXCQBH-INIZCTEOSA-N 1 1 317.433 3.247 10 30 DGEEMO C=C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617011933 400274724 /nfs/dbraw/zinc/27/47/24/400274724.db2.gz PJCFSUAVDKUBSF-WBVHZDCISA-N 1 1 300.446 3.335 10 30 DGEEMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000617042421 400291581 /nfs/dbraw/zinc/29/15/81/400291581.db2.gz QYWROXVJQQBQQM-INMHGKMJSA-N 1 1 301.434 3.005 10 30 DGEEMO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000617044043 400291933 /nfs/dbraw/zinc/29/19/33/400291933.db2.gz IBEXTDRIDNADAZ-HLLBOEOZSA-N 1 1 301.434 3.005 10 30 DGEEMO C=C(C)COc1cccc(NC(=O)NC[C@H]2CC[N@H+](CC)C2)c1 ZINC000589739274 400325129 /nfs/dbraw/zinc/32/51/29/400325129.db2.gz MLDKEUJLLGDBOS-OAHLLOKOSA-N 1 1 317.433 3.105 10 30 DGEEMO C=CCCCN(C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000125792067 400485692 /nfs/dbraw/zinc/48/56/92/400485692.db2.gz SMFXPRRAHNUPCB-SFHVURJKSA-N 1 1 315.461 3.259 10 30 DGEEMO N#Cc1ccc(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)c(F)c1 ZINC000136071537 400590103 /nfs/dbraw/zinc/59/01/03/400590103.db2.gz CQDYIIUCVBSQBB-UHFFFAOYSA-N 1 1 306.344 3.377 10 30 DGEEMO C=CCCCN(C)C(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000076650764 400665222 /nfs/dbraw/zinc/66/52/22/400665222.db2.gz UTFJIPVDIBKKMZ-UHFFFAOYSA-N 1 1 321.490 3.088 10 30 DGEEMO C=CCCCCCN(C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624782897 400949887 /nfs/dbraw/zinc/94/98/87/400949887.db2.gz CBPQUJHZEMHNBF-KRWDZBQOSA-N 1 1 307.482 3.391 10 30 DGEEMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)CC1(O)CCC1 ZINC000625045854 401016689 /nfs/dbraw/zinc/01/66/89/401016689.db2.gz PRVSZZUSPGQXBH-LBPRGKRZSA-N 1 1 315.866 3.056 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2cn3cc(Br)ccc3n2)C1 ZINC000625703562 401188412 /nfs/dbraw/zinc/18/84/12/401188412.db2.gz NATHSESMLMVROI-LBPRGKRZSA-N 1 1 320.234 3.495 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2nc(Cc3cccc(F)c3)no2)C1 ZINC000625701684 401185984 /nfs/dbraw/zinc/18/59/84/401185984.db2.gz LMYUJZPISUFXPW-ZDUSSCGKSA-N 1 1 301.365 3.198 10 30 DGEEMO C=CC[C@@H]1CC[N@@H+](Cc2nc(COc3ccc(F)cc3)no2)C1 ZINC000625704593 401188236 /nfs/dbraw/zinc/18/82/36/401188236.db2.gz VEHGDGHFAUIYAX-CYBMUJFWSA-N 1 1 317.364 3.186 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2nc(COc3ccc(F)cc3)no2)C1 ZINC000625704593 401188239 /nfs/dbraw/zinc/18/82/39/401188239.db2.gz VEHGDGHFAUIYAX-CYBMUJFWSA-N 1 1 317.364 3.186 10 30 DGEEMO C=C[C@@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCC ZINC000626067075 401293525 /nfs/dbraw/zinc/29/35/25/401293525.db2.gz YZZAJZSOIZHAJD-KBAYOESNSA-N 1 1 300.446 3.225 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCOc1ccc(C)cc1 ZINC000623051260 401458843 /nfs/dbraw/zinc/45/88/43/401458843.db2.gz RILFKSVEAAZTOK-QGZVFWFLSA-N 1 1 318.461 3.119 10 30 DGEEMO C=C(C)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000627622010 401478388 /nfs/dbraw/zinc/47/83/88/401478388.db2.gz RPQUUVYCQUEUHB-RBUKOAKNSA-N 1 1 312.457 3.227 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000623494153 401531642 /nfs/dbraw/zinc/53/16/42/401531642.db2.gz DMNAVERQGGIQIB-CVEARBPZSA-N 1 1 307.482 3.105 10 30 DGEEMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000628142982 401532795 /nfs/dbraw/zinc/53/27/95/401532795.db2.gz XLPSRXWLJHJBGY-HCXYKTFWSA-N 1 1 310.441 3.041 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000623814456 401582310 /nfs/dbraw/zinc/58/23/10/401582310.db2.gz GDICWDSLFGUJQU-KBAYOESNSA-N 1 1 313.445 3.039 10 30 DGEEMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624325771 401651707 /nfs/dbraw/zinc/65/17/07/401651707.db2.gz ANCMYFWXCGDDSZ-BBWFWOEESA-N 1 1 307.482 3.152 10 30 DGEEMO C=CC(C)(C)CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000624464828 401662544 /nfs/dbraw/zinc/66/25/44/401662544.db2.gz QZZDEXCLGQLOIL-RDJZCZTQSA-N 1 1 319.493 3.247 10 30 DGEEMO C=CCCC(C)(C)CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000633231243 401663660 /nfs/dbraw/zinc/66/36/60/401663660.db2.gz NSKFSIYKNFHBDK-UHFFFAOYSA-N 1 1 304.438 3.011 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000624544322 401669900 /nfs/dbraw/zinc/66/99/00/401669900.db2.gz MLHFAPCXDFGVOU-NVXWUHKLSA-N 1 1 305.466 3.001 10 30 DGEEMO C=CCCC[N@@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190508381 432165930 /nfs/dbraw/zinc/16/59/30/432165930.db2.gz HTRAYEWTNVOUOY-INIZCTEOSA-N 1 1 310.482 3.081 10 30 DGEEMO N#Cc1ccc(N2CCC[N@H+](C3CC3)CC2)cc1C(F)(F)F ZINC000171831549 432177520 /nfs/dbraw/zinc/17/75/20/432177520.db2.gz UTEWPQYVQVGARZ-UHFFFAOYSA-N 1 1 309.335 3.252 10 30 DGEEMO CC(C)(C#N)CCC[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246862760 432173689 /nfs/dbraw/zinc/17/36/89/432173689.db2.gz WCCNFMKLFYMQBZ-BBRMVZONSA-N 1 1 308.372 3.402 10 30 DGEEMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000246970012 432186924 /nfs/dbraw/zinc/18/69/24/432186924.db2.gz RTVQBKQHTQTRDY-ZIAGYGMSSA-N 1 1 321.490 3.137 10 30 DGEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000130842821 196115012 /nfs/dbraw/zinc/11/50/12/196115012.db2.gz WOZPRRIDTJEKLU-INIZCTEOSA-N 1 1 323.400 3.186 10 30 DGEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000130841083 196115063 /nfs/dbraw/zinc/11/50/63/196115063.db2.gz ZMIVHTHIYSRGRB-INIZCTEOSA-N 1 1 323.400 3.186 10 30 DGEEMO C[C@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000174014061 228286654 /nfs/dbraw/zinc/28/66/54/228286654.db2.gz FDQURPPWXREAPV-KBPBESRZSA-N 1 1 317.458 3.361 10 30 DGEEMO C[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000174014061 228286657 /nfs/dbraw/zinc/28/66/57/228286657.db2.gz FDQURPPWXREAPV-KBPBESRZSA-N 1 1 317.458 3.361 10 30 DGEEMO C[C@]1(CNc2ccc(C#N)nc2)CCC[N@H+]1Cc1ccccc1 ZINC000302377810 230228503 /nfs/dbraw/zinc/22/85/03/230228503.db2.gz GBYWTQVCHATEMD-LJQANCHMSA-N 1 1 306.413 3.420 10 30 DGEEMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1n1ccnc1 ZINC000129437780 274300939 /nfs/dbraw/zinc/30/09/39/274300939.db2.gz UHENEZVIMGOORC-QAPCUYQASA-N 1 1 313.832 3.471 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271645905 277771355 /nfs/dbraw/zinc/77/13/55/277771355.db2.gz TUUVLPXXIHFXKT-UONOGXRCSA-N 1 1 319.405 3.059 10 30 DGEEMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114494264 431395546 /nfs/dbraw/zinc/39/55/46/431395546.db2.gz YWXXDHVWRJWKJR-KRWDZBQOSA-N 1 1 315.442 3.381 10 30 DGEEMO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114494264 431395548 /nfs/dbraw/zinc/39/55/48/431395548.db2.gz YWXXDHVWRJWKJR-KRWDZBQOSA-N 1 1 315.442 3.381 10 30 DGEEMO C=CCCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000076738203 431561141 /nfs/dbraw/zinc/56/11/41/431561141.db2.gz MDFIOCOLRPQRKJ-UHFFFAOYSA-N 1 1 305.378 3.130 10 30 DGEEMO CCOCC[N@H+]1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@H]1CC ZINC000118398149 431603049 /nfs/dbraw/zinc/60/30/49/431603049.db2.gz XZWKDHJEEQEWRX-QFBILLFUSA-N 1 1 315.461 3.052 10 30 DGEEMO CCOCCN1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C[C@H]1CC ZINC000118398149 431603056 /nfs/dbraw/zinc/60/30/56/431603056.db2.gz XZWKDHJEEQEWRX-QFBILLFUSA-N 1 1 315.461 3.052 10 30 DGEEMO CCOCCN1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C[C@H]1CC ZINC000118398149 431603063 /nfs/dbraw/zinc/60/30/63/431603063.db2.gz XZWKDHJEEQEWRX-QFBILLFUSA-N 1 1 315.461 3.052 10 30 DGEEMO CCOCC[N@H+]1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@@H]1CC ZINC000118398151 431604095 /nfs/dbraw/zinc/60/40/95/431604095.db2.gz XZWKDHJEEQEWRX-LPHOPBHVSA-N 1 1 315.461 3.052 10 30 DGEEMO CCOCCN1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C[C@@H]1CC ZINC000118398151 431604100 /nfs/dbraw/zinc/60/41/00/431604100.db2.gz XZWKDHJEEQEWRX-LPHOPBHVSA-N 1 1 315.461 3.052 10 30 DGEEMO CCOCCN1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C[C@@H]1CC ZINC000118398151 431604106 /nfs/dbraw/zinc/60/41/06/431604106.db2.gz XZWKDHJEEQEWRX-LPHOPBHVSA-N 1 1 315.461 3.052 10 30 DGEEMO CC(C)(C#N)CCC[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121114281 431744872 /nfs/dbraw/zinc/74/48/72/431744872.db2.gz WCCNFMKLFYMQBZ-XJKSGUPXSA-N 1 1 308.372 3.402 10 30 DGEEMO COc1cc(C[NH2+][C@@H]2CCC[C@H]2C#N)c(SC)cc1OC ZINC000086506750 431845627 /nfs/dbraw/zinc/84/56/27/431845627.db2.gz PICMAKMHPFIHNI-WCQYABFASA-N 1 1 306.431 3.208 10 30 DGEEMO CC[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nc(C)cs1 ZINC000123662867 431871270 /nfs/dbraw/zinc/87/12/70/431871270.db2.gz WWDNNRIALRCYON-CQSZACIVSA-N 1 1 311.414 3.212 10 30 DGEEMO N#CCCCOc1cccc(C[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000092810781 431912403 /nfs/dbraw/zinc/91/24/03/431912403.db2.gz DFCBHYKNLOBSAB-UHFFFAOYSA-N 1 1 324.428 3.472 10 30 DGEEMO C=C(C)COc1cc(C[N@@H+](C[C@@H](C)O)C(C)C)ccc1OC ZINC000093145743 431913336 /nfs/dbraw/zinc/91/33/36/431913336.db2.gz XVMYBCVRBXBSIY-OAHLLOKOSA-N 1 1 307.434 3.241 10 30 DGEEMO C=CCc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(OC)c1O ZINC000093644157 431915886 /nfs/dbraw/zinc/91/58/86/431915886.db2.gz DERIMUBUZXWLKP-RHSMWYFYSA-N 1 1 318.461 3.044 10 30 DGEEMO C=CCc1cc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc(OC)c1O ZINC000093644157 431915887 /nfs/dbraw/zinc/91/58/87/431915887.db2.gz DERIMUBUZXWLKP-RHSMWYFYSA-N 1 1 318.461 3.044 10 30 DGEEMO C=CCc1cc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc(OC)c1O ZINC000093644157 431915888 /nfs/dbraw/zinc/91/58/88/431915888.db2.gz DERIMUBUZXWLKP-RHSMWYFYSA-N 1 1 318.461 3.044 10 30 DGEEMO C=CCCC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093533533 431916133 /nfs/dbraw/zinc/91/61/33/431916133.db2.gz IEIYJLIDLGBMJK-UHFFFAOYSA-N 1 1 314.389 3.393 10 30 DGEEMO C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)CCN1C ZINC000093644149 431916241 /nfs/dbraw/zinc/91/62/41/431916241.db2.gz DDVRKJJYBZJMKZ-SJLPKXTDSA-N 1 1 315.461 3.284 10 30 DGEEMO C[C@@H]1C[C@H](N(C)Cc2cccc(OCCCC#N)c2)CC[N@@H+]1C ZINC000093644149 431916243 /nfs/dbraw/zinc/91/62/43/431916243.db2.gz DDVRKJJYBZJMKZ-SJLPKXTDSA-N 1 1 315.461 3.284 10 30 DGEEMO C[C@@H]1C[C@H](N(C)Cc2cccc(OCCCC#N)c2)CC[N@H+]1C ZINC000093644149 431916245 /nfs/dbraw/zinc/91/62/45/431916245.db2.gz DDVRKJJYBZJMKZ-SJLPKXTDSA-N 1 1 315.461 3.284 10 30 DGEEMO C=CCc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc(OC)c1O ZINC000091978927 431906420 /nfs/dbraw/zinc/90/64/20/431906420.db2.gz GAEUWHACYPGLOA-DLBZAZTESA-N 1 1 317.429 3.273 10 30 DGEEMO C=CCc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc(OC)c1O ZINC000091978927 431906423 /nfs/dbraw/zinc/90/64/23/431906423.db2.gz GAEUWHACYPGLOA-DLBZAZTESA-N 1 1 317.429 3.273 10 30 DGEEMO C(#Cc1ccccc1)C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000192064938 432331258 /nfs/dbraw/zinc/33/12/58/432331258.db2.gz KXPSNSJYIGAJKS-OAQYLSRUSA-N 1 1 305.421 3.372 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000248637938 432308166 /nfs/dbraw/zinc/30/81/66/432308166.db2.gz VTVNPHWGFHOGTG-XYJFISCASA-N 1 1 315.461 3.011 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248712528 432312397 /nfs/dbraw/zinc/31/23/97/432312397.db2.gz BKYTWFNTZPIRDG-SJLPKXTDSA-N 1 1 315.461 3.115 10 30 DGEEMO C#Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000252801416 432389138 /nfs/dbraw/zinc/38/91/38/432389138.db2.gz JMGLJQSTUBZCDK-RBUKOAKNSA-N 1 1 319.408 3.235 10 30 DGEEMO CC#CCCCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000185958463 432549209 /nfs/dbraw/zinc/54/92/09/432549209.db2.gz MJVBFJBLMQYOEL-FUHWJXTLSA-N 1 1 318.848 3.395 10 30 DGEEMO CC#CCCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000185958463 432549214 /nfs/dbraw/zinc/54/92/14/432549214.db2.gz MJVBFJBLMQYOEL-FUHWJXTLSA-N 1 1 318.848 3.395 10 30 DGEEMO CCC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000156734198 432605541 /nfs/dbraw/zinc/60/55/41/432605541.db2.gz KIDYFCKNSVMACX-HNNXBMFYSA-N 1 1 305.466 3.230 10 30 DGEEMO C[C@H]1C[C@H](N(C)CC#Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000177292077 432609142 /nfs/dbraw/zinc/60/91/42/432609142.db2.gz IIQJTAUYKCECTC-WMLDXEAASA-N 1 1 324.390 3.471 10 30 DGEEMO C=C(C)CN(C)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000157487491 432622323 /nfs/dbraw/zinc/62/23/23/432622323.db2.gz UWUQHRPWPLANQJ-LJQANCHMSA-N 1 1 315.461 3.259 10 30 DGEEMO COc1cc(Br)ccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000189185450 432768605 /nfs/dbraw/zinc/76/86/05/432768605.db2.gz WKHFJXWUWJTVTB-UHFFFAOYSA-N 1 1 321.174 3.212 10 30 DGEEMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)CC1(c2ccccc2)CC1 ZINC000188714919 432742258 /nfs/dbraw/zinc/74/22/58/432742258.db2.gz YNLDSWXHQRYWQX-UHFFFAOYSA-N 1 1 316.408 3.370 10 30 DGEEMO C=CCc1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc(OC)c1O ZINC000245514548 432839223 /nfs/dbraw/zinc/83/92/23/432839223.db2.gz GAEUWHACYPGLOA-SJORKVTESA-N 1 1 317.429 3.273 10 30 DGEEMO C=CCc1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)cc(OC)c1O ZINC000245514548 432839225 /nfs/dbraw/zinc/83/92/25/432839225.db2.gz GAEUWHACYPGLOA-SJORKVTESA-N 1 1 317.429 3.273 10 30 DGEEMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C#N)o1 ZINC000267265389 432828014 /nfs/dbraw/zinc/82/80/14/432828014.db2.gz LDPSZFNYVUXFAX-HNAYVOBHSA-N 1 1 309.413 3.151 10 30 DGEEMO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000178923942 432787882 /nfs/dbraw/zinc/78/78/82/432787882.db2.gz LMNJYRZNGHUWTF-QGZVFWFLSA-N 1 1 318.848 3.024 10 30 DGEEMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000178923942 432787888 /nfs/dbraw/zinc/78/78/88/432787888.db2.gz LMNJYRZNGHUWTF-QGZVFWFLSA-N 1 1 318.848 3.024 10 30 DGEEMO Cc1cc(C#N)ccc1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000161748223 432794929 /nfs/dbraw/zinc/79/49/29/432794929.db2.gz PNLOYVBASHHHOO-HNNXBMFYSA-N 1 1 313.445 3.109 10 30 DGEEMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000245941170 432871325 /nfs/dbraw/zinc/87/13/25/432871325.db2.gz AUMOUFDVQMYKIF-RHSMWYFYSA-N 1 1 321.428 3.425 10 30 DGEEMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(C)CCCNC2=O)C1 ZINC000330315916 432903116 /nfs/dbraw/zinc/90/31/16/432903116.db2.gz PUIUQUMQYJCAHP-PBHICJAKSA-N 1 1 309.454 3.068 10 30 DGEEMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000361267510 433072813 /nfs/dbraw/zinc/07/28/13/433072813.db2.gz RVDXMEKMBPABCS-AWEZNQCLSA-N 1 1 312.417 3.302 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425015583 433077108 /nfs/dbraw/zinc/07/71/08/433077108.db2.gz VUEKZTPLQVTSGE-NZSAHSFTSA-N 1 1 312.457 3.322 10 30 DGEEMO C=CCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000453336252 433099866 /nfs/dbraw/zinc/09/98/66/433099866.db2.gz AZFCGMSFJGRCAT-LWYYNNOASA-N 1 1 314.473 3.099 10 30 DGEEMO C=C[C@](C)(CCOC)C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000373689199 433160977 /nfs/dbraw/zinc/16/09/77/433160977.db2.gz ZRLVUHYDVNTTHO-LJQANCHMSA-N 1 1 314.429 3.332 10 30 DGEEMO N#Cc1ccnc(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000341939528 433373094 /nfs/dbraw/zinc/37/30/94/433373094.db2.gz ZXXUZHXSMJDNGI-SFHVURJKSA-N 1 1 306.413 3.420 10 30 DGEEMO C=CCCCNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000448389832 433403495 /nfs/dbraw/zinc/40/34/95/433403495.db2.gz PMDVZEVTEJILCR-UHFFFAOYSA-N 1 1 303.450 3.162 10 30 DGEEMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375467720 433470474 /nfs/dbraw/zinc/47/04/74/433470474.db2.gz ZARUGNNKVSBKEZ-AWEZNQCLSA-N 1 1 302.422 3.456 10 30 DGEEMO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1nccs1 ZINC000161167027 292830469 /nfs/dbraw/zinc/83/04/69/292830469.db2.gz IPIYOTDKTMVNIL-FZMZJTMJSA-N 1 1 314.414 3.083 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000362456682 433727239 /nfs/dbraw/zinc/72/72/39/433727239.db2.gz WSKGQAMAVLMBFE-CVEARBPZSA-N 1 1 302.418 3.253 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000362456682 433727245 /nfs/dbraw/zinc/72/72/45/433727245.db2.gz WSKGQAMAVLMBFE-CVEARBPZSA-N 1 1 302.418 3.253 10 30 DGEEMO Cc1cc(C#N)cc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000376395906 433727995 /nfs/dbraw/zinc/72/79/95/433727995.db2.gz PHLAAXMSGDCYBR-SFHVURJKSA-N 1 1 320.440 3.220 10 30 DGEEMO Cc1cc(NC[C@H](C)[N@H+]2CCc3ccccc3C2)c(C#N)c(C)n1 ZINC000301797219 433728532 /nfs/dbraw/zinc/72/85/32/433728532.db2.gz UEAHEUZHLTVLNB-HNNXBMFYSA-N 1 1 320.440 3.429 10 30 DGEEMO CC[C@](C)(C#N)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000285164941 433919253 /nfs/dbraw/zinc/91/92/53/433919253.db2.gz PUSPWTHTLICPAV-PKOBYXMFSA-N 1 1 313.445 3.097 10 30 DGEEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000379752331 434264851 /nfs/dbraw/zinc/26/48/51/434264851.db2.gz OKYSZZPKUMSENB-AWEZNQCLSA-N 1 1 324.384 3.399 10 30 DGEEMO CC(=O)Nc1ccn([C@@H]2CC[N@@H+](CCc3cccs3)C2)n1 ZINC000328625557 434292177 /nfs/dbraw/zinc/29/21/77/434292177.db2.gz KWEGZZFUDDRUJH-CYBMUJFWSA-N 1 1 304.419 3.042 10 30 DGEEMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328708417 434301644 /nfs/dbraw/zinc/30/16/44/434301644.db2.gz QIYXKMDFIQHEED-XJKSGUPXSA-N 1 1 316.380 3.336 10 30 DGEEMO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328708417 434301649 /nfs/dbraw/zinc/30/16/49/434301649.db2.gz QIYXKMDFIQHEED-XJKSGUPXSA-N 1 1 316.380 3.336 10 30 DGEEMO C=CC1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)nc3C2)CC1 ZINC000364552813 434277077 /nfs/dbraw/zinc/27/70/77/434277077.db2.gz YXBCOOHKWSKCJV-CQSZACIVSA-N 1 1 301.434 3.063 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1OC ZINC000438373234 434467203 /nfs/dbraw/zinc/46/72/03/434467203.db2.gz JFPLIJSCLPZURD-KKUMJFAQSA-N 1 1 305.418 3.258 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1OC ZINC000438373234 434467213 /nfs/dbraw/zinc/46/72/13/434467213.db2.gz JFPLIJSCLPZURD-KKUMJFAQSA-N 1 1 305.418 3.258 10 30 DGEEMO C=CCC[C@H](NC(=O)N1CC[NH2+]C[C@](C)(F)C1)c1ccccc1 ZINC000417907791 434545796 /nfs/dbraw/zinc/54/57/96/434545796.db2.gz FLVVXQJRGQHFNY-WMZOPIPTSA-N 1 1 319.424 3.037 10 30 DGEEMO C[C@@H](O)CC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000438984170 434552947 /nfs/dbraw/zinc/55/29/47/434552947.db2.gz JRWFIPLWNVTVEX-OAHLLOKOSA-N 1 1 312.388 3.470 10 30 DGEEMO Cc1cc(C)c(C#N)c(N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000408387711 434568520 /nfs/dbraw/zinc/56/85/20/434568520.db2.gz XZBZQAPQXXUPBJ-HNNXBMFYSA-N 1 1 321.428 3.097 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000361115003 434801984 /nfs/dbraw/zinc/80/19/84/434801984.db2.gz VRTUWEORXOEDKS-LPHOPBHVSA-N 1 1 317.429 3.021 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000361115003 434801988 /nfs/dbraw/zinc/80/19/88/434801988.db2.gz VRTUWEORXOEDKS-LPHOPBHVSA-N 1 1 317.429 3.021 10 30 DGEEMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000574030557 434944459 /nfs/dbraw/zinc/94/44/59/434944459.db2.gz ZQDBMLRRMMEBHS-QGZVFWFLSA-N 1 1 300.446 3.058 10 30 DGEEMO C=CCOc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000565117627 435278334 /nfs/dbraw/zinc/27/83/34/435278334.db2.gz VRRYFWRTFHAEDN-MJGOQNOKSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCOc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000565117627 435278338 /nfs/dbraw/zinc/27/83/38/435278338.db2.gz VRRYFWRTFHAEDN-MJGOQNOKSA-N 1 1 300.446 3.168 10 30 DGEEMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000488595536 435640427 /nfs/dbraw/zinc/64/04/27/435640427.db2.gz SRCJSPFHBHCKCP-CQSZACIVSA-N 1 1 304.459 3.412 10 30 DGEEMO C=C(C)COCC[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000541743526 435643381 /nfs/dbraw/zinc/64/33/81/435643381.db2.gz SFUIOVSTUJYKTF-KRWDZBQOSA-N 1 1 319.836 3.345 10 30 DGEEMO C=CCCC[N@H+](C)Cc1cn2ccc(Br)cc2n1 ZINC000572084716 435778261 /nfs/dbraw/zinc/77/82/61/435778261.db2.gz ALAAUGUCTDJVOC-UHFFFAOYSA-N 1 1 308.223 3.495 10 30 DGEEMO C[N@@H+](CCC(=O)Nc1sccc1C#N)C[C@H]1CC=CCC1 ZINC000542249497 314064632 /nfs/dbraw/zinc/06/46/32/314064632.db2.gz SAGCATBHLIBLDQ-ZDUSSCGKSA-N 1 1 303.431 3.236 10 30 DGEEMO N#Cc1ccc(C(F)(F)F)nc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000577016531 316192938 /nfs/dbraw/zinc/19/29/38/316192938.db2.gz LTTYRUHYGZXNMY-ZDUSSCGKSA-N 1 1 324.350 3.401 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000185053354 337201508 /nfs/dbraw/zinc/20/15/08/337201508.db2.gz QRAAFUGAUUFRGC-FUHWJXTLSA-N 1 1 300.446 3.370 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000499255735 340033414 /nfs/dbraw/zinc/03/34/14/340033414.db2.gz ZEFOQCXLAXHWBI-IRXDYDNUSA-N 1 1 303.446 3.480 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1 ZINC000499255280 340033566 /nfs/dbraw/zinc/03/35/66/340033566.db2.gz MYVHXITXQKLUSK-MSOLQXFVSA-N 1 1 303.446 3.480 10 30 DGEEMO C=C(C)CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000509365350 340267453 /nfs/dbraw/zinc/26/74/53/340267453.db2.gz IZSKHDFJJUIZTR-KRWDZBQOSA-N 1 1 314.429 3.381 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000544192048 341073978 /nfs/dbraw/zinc/07/39/78/341073978.db2.gz WPYZPEXAVNUVAX-SFHVURJKSA-N 1 1 300.446 3.209 10 30 DGEEMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000544609298 341088654 /nfs/dbraw/zinc/08/86/54/341088654.db2.gz KKSDGVWKULAIAH-QZTJIDSGSA-N 1 1 303.446 3.480 10 30 DGEEMO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000174014044 534222223 /nfs/dbraw/zinc/22/22/23/534222223.db2.gz FDQURPPWXREAPV-KGLIPLIRSA-N 1 1 317.458 3.361 10 30 DGEEMO C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000174014044 534222230 /nfs/dbraw/zinc/22/22/30/534222230.db2.gz FDQURPPWXREAPV-KGLIPLIRSA-N 1 1 317.458 3.361 10 30 DGEEMO C=CCc1cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc(OC)c1O ZINC000449687807 534412691 /nfs/dbraw/zinc/41/26/91/534412691.db2.gz RFGVYILGNDFAQX-LJQANCHMSA-N 1 1 317.429 3.132 10 30 DGEEMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C)nc1C ZINC000352798940 526559578 /nfs/dbraw/zinc/55/95/78/526559578.db2.gz KYGNSCOGNKGNLX-UHFFFAOYSA-N 1 1 300.402 3.362 10 30 DGEEMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C)nc1C ZINC000352798940 526559581 /nfs/dbraw/zinc/55/95/81/526559581.db2.gz KYGNSCOGNKGNLX-UHFFFAOYSA-N 1 1 300.402 3.362 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000185818035 526698632 /nfs/dbraw/zinc/69/86/32/526698632.db2.gz MEXALQYWBZMOSK-CQSZACIVSA-N 1 1 301.434 3.077 10 30 DGEEMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000180128462 526741492 /nfs/dbraw/zinc/74/14/92/526741492.db2.gz PQSMAWZYHWEAOU-LJQANCHMSA-N 1 1 323.440 3.258 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000353515309 526867591 /nfs/dbraw/zinc/86/75/91/526867591.db2.gz DQMAIBVBARHQRE-LSDHHAIUSA-N 1 1 315.335 3.139 10 30 DGEEMO C=CCOc1ccccc1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000354165824 526933914 /nfs/dbraw/zinc/93/39/14/526933914.db2.gz ILIZEPCYGRWIAN-IBGZPJMESA-N 1 1 300.446 3.169 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000354165824 526933936 /nfs/dbraw/zinc/93/39/36/526933936.db2.gz ILIZEPCYGRWIAN-IBGZPJMESA-N 1 1 300.446 3.169 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000354165824 526933944 /nfs/dbraw/zinc/93/39/44/526933944.db2.gz ILIZEPCYGRWIAN-IBGZPJMESA-N 1 1 300.446 3.169 10 30 DGEEMO C=CCC(C)(C)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000432074349 527010075 /nfs/dbraw/zinc/01/00/75/527010075.db2.gz BTOJAUKMQNURQG-DLBZAZTESA-N 1 1 315.461 3.333 10 30 DGEEMO C=CCC(CC=C)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000150724363 527027346 /nfs/dbraw/zinc/02/73/46/527027346.db2.gz AGBJFFOQOOHJRJ-UHFFFAOYSA-N 1 1 313.445 3.243 10 30 DGEEMO C=CCCCN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000346892951 527188735 /nfs/dbraw/zinc/18/87/35/527188735.db2.gz KLDASZQMYWWNDX-QGZVFWFLSA-N 1 1 318.436 3.462 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)Nc1sc(C)cc1C(=O)OCC ZINC000346970050 527192290 /nfs/dbraw/zinc/19/22/90/527192290.db2.gz UDJHYTXXLFKSCU-UHFFFAOYSA-N 1 1 324.446 3.070 10 30 DGEEMO C=CCc1cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc(OC)c1O ZINC000355116067 527237282 /nfs/dbraw/zinc/23/72/82/527237282.db2.gz SAGQTJPLABYPIH-IAGOWNOFSA-N 1 1 317.429 3.130 10 30 DGEEMO C=CCCC[C@H](C)[N@H+]1CCN(S(C)(=O)=O)c2ccccc2C1 ZINC000341126141 527275141 /nfs/dbraw/zinc/27/51/41/527275141.db2.gz NFAUWKJBDXIXPT-HNNXBMFYSA-N 1 1 322.474 3.013 10 30 DGEEMO C=CCC[C@@H](NC(=O)N1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000130949490 527439767 /nfs/dbraw/zinc/43/97/67/527439767.db2.gz AYHOABBVURTQFN-GOSISDBHSA-N 1 1 313.445 3.184 10 30 DGEEMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000444695460 527462042 /nfs/dbraw/zinc/46/20/42/527462042.db2.gz SLAULDRACHFQON-SFHVURJKSA-N 1 1 316.445 3.486 10 30 DGEEMO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000444695460 527462047 /nfs/dbraw/zinc/46/20/47/527462047.db2.gz SLAULDRACHFQON-SFHVURJKSA-N 1 1 316.445 3.486 10 30 DGEEMO CCCCCCC[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000157962653 528132481 /nfs/dbraw/zinc/13/24/81/528132481.db2.gz JNSDRWCQPKMKGJ-UHFFFAOYSA-N 1 1 306.498 3.250 10 30 DGEEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC2CCCC2)C1 ZINC000329579018 546487752 /nfs/dbraw/zinc/48/77/52/546487752.db2.gz KRQJYRKOVZCCRW-HNNXBMFYSA-N 1 1 304.438 3.187 10 30 DGEEMO COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735311819 574696806 /nfs/dbraw/zinc/69/68/06/574696806.db2.gz WGJZBUDQNYQZGD-CYBMUJFWSA-N 1 1 308.809 3.101 10 30 DGEEMO CC[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H]1CCCO1 ZINC000735311334 574697131 /nfs/dbraw/zinc/69/71/31/574697131.db2.gz ODHMORZBYGTBFO-HNNXBMFYSA-N 1 1 308.809 3.243 10 30 DGEEMO Cc1ccc(NN=Cc2ccc(OCC[NH+]3CCCC3)cc2)nc1 ZINC000727259778 576116322 /nfs/dbraw/zinc/11/63/22/576116322.db2.gz MMDHFVNUOPTNCW-UHFFFAOYSA-N 1 1 324.428 3.311 10 30 DGEEMO CC[N@@H+](Cn1c(C)nnc1-c1cccc(C#N)c1)C1CCCC1 ZINC000131059104 625936626 /nfs/dbraw/zinc/93/66/26/625936626.db2.gz OJGPYUUQZYNZEZ-UHFFFAOYSA-N 1 1 309.417 3.347 10 30 DGEEMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)[C@H]2C)o1 ZINC000886077944 627099664 /nfs/dbraw/zinc/09/96/64/627099664.db2.gz RTRGMCYFVKHZSQ-NHYWBVRUSA-N 1 1 314.364 3.157 10 30 DGEEMO C=C(C)COc1cccc(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000290068828 655874514 /nfs/dbraw/zinc/87/45/14/655874514.db2.gz IZRYKXANPGJCRT-GJZGRUSLSA-N 1 1 302.418 3.310 10 30 DGEEMO N#C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716655242 661226229 /nfs/dbraw/zinc/22/62/29/661226229.db2.gz NYOMDYLVALLHMS-KNJMJIDISA-N 1 1 309.457 3.321 10 30 DGEEMO CC(C)c1cccc(NC(=[NH2+])NCCN2CCCC[C@@H]2C)c1 ZINC000303904677 657577201 /nfs/dbraw/zinc/57/72/01/657577201.db2.gz VDGDFWPXNBAKPO-HNNXBMFYSA-N 1 1 302.466 3.411 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000446844935 660064239 /nfs/dbraw/zinc/06/42/39/660064239.db2.gz WOMWZSXZOKUOTF-KRWDZBQOSA-N 1 1 311.429 3.365 10 30 DGEEMO C#CC[N@@H+](CC(=O)Nc1cccc(SC)c1)C1CCCC1 ZINC000155858058 661853786 /nfs/dbraw/zinc/85/37/86/661853786.db2.gz HWSSKZBFSMLARA-UHFFFAOYSA-N 1 1 302.443 3.225 10 30 DGEEMO C#CC[N@H+](CC(=O)Nc1cccc(SC)c1)C1CCCC1 ZINC000155858058 661853788 /nfs/dbraw/zinc/85/37/88/661853788.db2.gz HWSSKZBFSMLARA-UHFFFAOYSA-N 1 1 302.443 3.225 10 30 DGEEMO CC(C)[N@@H+](CCc1nccs1)C[C@H](O)c1ccc(C#N)cc1 ZINC000159902154 661897807 /nfs/dbraw/zinc/89/78/07/661897807.db2.gz XVPLQQRUBPDZHH-INIZCTEOSA-N 1 1 315.442 3.001 10 30 DGEEMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)C(C)(C)C#N ZINC000719962015 662300170 /nfs/dbraw/zinc/30/01/70/662300170.db2.gz LPJXLZJXTJRWJN-KRWDZBQOSA-N 1 1 313.445 3.049 10 30 DGEEMO C#CCOc1ccc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000092812726 662336016 /nfs/dbraw/zinc/33/60/16/662336016.db2.gz NHKKOXKQRLDZCS-SFHVURJKSA-N 1 1 321.424 3.028 10 30 DGEEMO C[C@@H]1[C@H](NCC#Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000309801874 1199710464 /nfs/dbraw/zinc/71/04/64/1199710464.db2.gz KBWLXNNYKFWXRW-WIYYLYMNSA-N 1 1 304.437 3.291 10 30 DGEEMO C[C@@H]1[C@H](NCC#Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000309801874 1199710470 /nfs/dbraw/zinc/71/04/70/1199710470.db2.gz KBWLXNNYKFWXRW-WIYYLYMNSA-N 1 1 304.437 3.291 10 30 DGEEMO C[N@H+]1CCC[C@H](CNc2cc(Br)ccc2C#N)C1 ZINC000123210447 1200275514 /nfs/dbraw/zinc/27/55/14/1200275514.db2.gz SYLHSAPGEAVGLN-LLVKDONJSA-N 1 1 308.223 3.074 10 30 DGEEMO CC(C)[N@H+]1CC[C@@H](CNc2cc(Br)ccc2C#N)C1 ZINC000123223444 1200276303 /nfs/dbraw/zinc/27/63/03/1200276303.db2.gz MOSFEBWUDDHCLJ-LBPRGKRZSA-N 1 1 322.250 3.463 10 30 DGEEMO C=CCOc1ccc(C[NH2+]Cc2nccn2C(F)F)cc1OC ZINC000237134978 1202649466 /nfs/dbraw/zinc/64/94/66/1202649466.db2.gz DEJBQHWQMXRNMO-UHFFFAOYSA-N 1 1 323.343 3.141 10 30 DGEEMO C=CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CCC)C1)c1ccccc1 ZINC000275388793 1202844312 /nfs/dbraw/zinc/84/43/12/1202844312.db2.gz XKDGSMHEOUMMCI-WMZOPIPTSA-N 1 1 300.446 3.194 10 30 DGEEMO N#Cc1ccc(Br)cc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253204376 1203821015 /nfs/dbraw/zinc/82/10/15/1203821015.db2.gz DUNBDBICLQWBST-KGLIPLIRSA-N 1 1 320.234 3.359 10 30 DGEEMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000061891792 432002894 /nfs/dbraw/zinc/00/28/94/432002894.db2.gz DVGDMGZYMWPMHL-GXTWGEPZSA-N 1 1 306.793 3.283 10 30 DGEEMO Cc1nsc(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)c1C#N ZINC000309930029 231106912 /nfs/dbraw/zinc/10/69/12/231106912.db2.gz YSNOJDPDYFVONN-LBPRGKRZSA-N 1 1 300.431 3.256 10 30 DGEEMO CCC[N@H+](Cc1ccc(C#N)o1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000092710626 185335779 /nfs/dbraw/zinc/33/57/79/185335779.db2.gz CUIXUHHUEVGZDW-AWEZNQCLSA-N 1 1 311.385 3.390 10 30 DGEEMO CCC[N@@H+](Cc1ccc(C#N)o1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000092710626 185335780 /nfs/dbraw/zinc/33/57/80/185335780.db2.gz CUIXUHHUEVGZDW-AWEZNQCLSA-N 1 1 311.385 3.390 10 30 DGEEMO Cc1cccc(NC[C@H]2CC[N@H+](Cc3cc(C#N)cs3)C2)n1 ZINC000092813382 185343273 /nfs/dbraw/zinc/34/32/73/185343273.db2.gz BHTXCKGQCNTSFI-CQSZACIVSA-N 1 1 312.442 3.257 10 30 DGEEMO Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)n1 ZINC000092813382 185343274 /nfs/dbraw/zinc/34/32/74/185343274.db2.gz BHTXCKGQCNTSFI-CQSZACIVSA-N 1 1 312.442 3.257 10 30 DGEEMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000131921490 432041933 /nfs/dbraw/zinc/04/19/33/432041933.db2.gz HBHTZCKMNSMYDO-IBGZPJMESA-N 1 1 323.444 3.107 10 30 DGEEMO CC(C)COC1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000077395842 191708381 /nfs/dbraw/zinc/70/83/81/191708381.db2.gz MRSSZBDABDQCEC-UHFFFAOYSA-N 1 1 311.429 3.448 10 30 DGEEMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000187181839 200073895 /nfs/dbraw/zinc/07/38/95/200073895.db2.gz ISQCHIAIKIFGSA-NVXWUHKLSA-N 1 1 304.821 3.339 10 30 DGEEMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000187181839 200073897 /nfs/dbraw/zinc/07/38/97/200073897.db2.gz ISQCHIAIKIFGSA-NVXWUHKLSA-N 1 1 304.821 3.339 10 30 DGEEMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)c(F)c1 ZINC000281216188 216160059 /nfs/dbraw/zinc/16/00/59/216160059.db2.gz KAUUKZOGGIOLET-CGTJXYLNSA-N 1 1 302.393 3.213 10 30 DGEEMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1 ZINC000246113961 432096057 /nfs/dbraw/zinc/09/60/57/432096057.db2.gz XXBIJOVGICXEAE-FXAWDEMLSA-N 1 1 324.399 3.295 10 30 DGEEMO CCS[C@@H]1CCCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093361763 193238129 /nfs/dbraw/zinc/23/81/29/193238129.db2.gz GJIAIMRSHMEYDV-MRXNPFEDSA-N 1 1 314.458 3.314 10 30 DGEEMO CC[N@H+]1CC[C@@H](N(C)CC#Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000246449155 432131653 /nfs/dbraw/zinc/13/16/53/432131653.db2.gz FFTXYXMPGHLVSP-MAUKXSAKSA-N 1 1 304.865 3.354 10 30 DGEEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000246452406 432133191 /nfs/dbraw/zinc/13/31/91/432133191.db2.gz OTEJHHABEZHKNI-IAQYHMDHSA-N 1 1 320.824 3.062 10 30 DGEEMO CCc1nccn1[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000106212613 194190186 /nfs/dbraw/zinc/19/01/86/194190186.db2.gz BVEQNVOFNKSFNT-QGZVFWFLSA-N 1 1 324.428 3.033 10 30 DGEEMO COc1cc(C)c(C[N@H+](C)Cc2ccc(C#N)o2)cc1OC ZINC000120097860 195095367 /nfs/dbraw/zinc/09/53/67/195095367.db2.gz QVUALJFIDBIWDS-UHFFFAOYSA-N 1 1 300.358 3.109 10 30 DGEEMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(C#N)o2)cc1OC ZINC000120097860 195095368 /nfs/dbraw/zinc/09/53/68/195095368.db2.gz QVUALJFIDBIWDS-UHFFFAOYSA-N 1 1 300.358 3.109 10 30 DGEEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000120161627 195109792 /nfs/dbraw/zinc/10/97/92/195109792.db2.gz UBCRSGMZIMAKEI-KRWDZBQOSA-N 1 1 312.392 3.385 10 30 DGEEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000120161627 195109794 /nfs/dbraw/zinc/10/97/94/195109794.db2.gz UBCRSGMZIMAKEI-KRWDZBQOSA-N 1 1 312.392 3.385 10 30 DGEEMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000120884741 195256971 /nfs/dbraw/zinc/25/69/71/195256971.db2.gz IUPFBSLMVANNKC-QGZVFWFLSA-N 1 1 324.428 3.254 10 30 DGEEMO C[N@H+]1CC[C@@H](CNC(=O)CCc2ccoc2)[C@@H]1c1cccnc1 ZINC000328614568 400182594 /nfs/dbraw/zinc/18/25/94/400182594.db2.gz AKDOGVQYOATUQY-WMZOPIPTSA-N 1 1 313.401 3.257 10 30 DGEEMO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C(C)(C)c1ccccc1 ZINC000585754297 400138758 /nfs/dbraw/zinc/13/87/58/400138758.db2.gz GHOJZRSZERKYGR-UHFFFAOYSA-N 1 1 307.397 3.364 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)cc1 ZINC000091832174 400139189 /nfs/dbraw/zinc/13/91/89/400139189.db2.gz OHPKBMVKCDEQIW-MRXNPFEDSA-N 1 1 313.401 3.322 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)cc1 ZINC000092095341 400154511 /nfs/dbraw/zinc/15/45/11/400154511.db2.gz SLUMQJVXUJQHFN-GUDVDZBRSA-N 1 1 317.429 3.020 10 30 DGEEMO CC(C)(C#N)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000601729750 400341190 /nfs/dbraw/zinc/34/11/90/400341190.db2.gz YFVBOWHMYONGAC-KRWDZBQOSA-N 1 1 313.445 3.097 10 30 DGEEMO C=C(C)C[C@@H]([NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1)C(=O)OC ZINC000602739049 400559203 /nfs/dbraw/zinc/55/92/03/400559203.db2.gz PHBUILLZARXBPV-OKDNKWQNSA-N 1 1 317.429 3.285 10 30 DGEEMO C=CCOc1cccc(C[NH2+]Cc2cc(C)c(C(=O)OC)o2)c1 ZINC000602742584 400561030 /nfs/dbraw/zinc/56/10/30/400561030.db2.gz HVXYHTQBPWVIPJ-UHFFFAOYSA-N 1 1 315.369 3.229 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000076952774 400681608 /nfs/dbraw/zinc/68/16/08/400681608.db2.gz DJNZECSKBLDOHY-AEFFLSMTSA-N 1 1 315.461 3.430 10 30 DGEEMO C=CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000179267739 400877408 /nfs/dbraw/zinc/87/74/08/400877408.db2.gz UGNIPNKVMZPTHC-ROUUACIJSA-N 1 1 313.445 3.039 10 30 DGEEMO C#C[C@H]([NH2+]C)c1ccc(Br)cc1Br ZINC000234392619 400973884 /nfs/dbraw/zinc/97/38/84/400973884.db2.gz MEKFMBRYTMHIMS-JTQLQIEISA-N 1 1 302.997 3.105 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2ccc(O[C@@H](C)C(=O)OC)cc2)C1 ZINC000600186604 401214048 /nfs/dbraw/zinc/21/40/48/401214048.db2.gz RXURJNIYKHAJTN-GJZGRUSLSA-N 1 1 303.402 3.025 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000625700550 401185669 /nfs/dbraw/zinc/18/56/69/401185669.db2.gz KEEZSOOFKDURRK-GFCCVEGCSA-N 1 1 308.809 3.185 10 30 DGEEMO C=C1CC(C)(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)C1 ZINC000631209452 401427111 /nfs/dbraw/zinc/42/71/11/401427111.db2.gz DOKOBEXGAPRICF-UHFFFAOYSA-N 1 1 300.446 3.499 10 30 DGEEMO C=C1CC(C)(C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)C1 ZINC000631595527 401509333 /nfs/dbraw/zinc/50/93/33/401509333.db2.gz BUKXUNWIIOGXIZ-QGZVFWFLSA-N 1 1 312.457 3.466 10 30 DGEEMO C=CC(C)(C)CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000628312771 401574482 /nfs/dbraw/zinc/57/44/82/401574482.db2.gz OFDFFMWRBRNNFB-QGZVFWFLSA-N 1 1 300.446 3.227 10 30 DGEEMO C=CC(C)(C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000623814150 401582465 /nfs/dbraw/zinc/58/24/65/401582465.db2.gz BMHQRPKAWYFTHV-DLBZAZTESA-N 1 1 315.461 3.333 10 30 DGEEMO C=CC(C)(C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000623814152 401582606 /nfs/dbraw/zinc/58/26/06/401582606.db2.gz BMHQRPKAWYFTHV-IRXDYDNUSA-N 1 1 315.461 3.333 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000628406344 401592171 /nfs/dbraw/zinc/59/21/71/401592171.db2.gz HXPKMEKOYIVVBT-IRXDYDNUSA-N 1 1 300.446 3.310 10 30 DGEEMO C=CC[C@H]1CC[N@@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000628405818 401592194 /nfs/dbraw/zinc/59/21/94/401592194.db2.gz VOOHJTVMTJJYNI-LBPRGKRZSA-N 1 1 320.234 3.495 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000628405818 401592196 /nfs/dbraw/zinc/59/21/96/401592196.db2.gz VOOHJTVMTJJYNI-LBPRGKRZSA-N 1 1 320.234 3.495 10 30 DGEEMO C=CC(C)(C)CCNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000624464697 401662774 /nfs/dbraw/zinc/66/27/74/401662774.db2.gz LEYCVZNUTBBTKP-MRXNPFEDSA-N 1 1 301.434 3.075 10 30 DGEEMO C=CC(C)(C)CCNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000624464697 401662775 /nfs/dbraw/zinc/66/27/75/401662775.db2.gz LEYCVZNUTBBTKP-MRXNPFEDSA-N 1 1 301.434 3.075 10 30 DGEEMO C=CC[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000624544323 401670110 /nfs/dbraw/zinc/67/01/10/401670110.db2.gz MLHFAPCXDFGVOU-RDJZCZTQSA-N 1 1 305.466 3.001 10 30 DGEEMO N#Cc1ccccc1Cn1cccc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000187420467 165089765 /nfs/dbraw/zinc/08/97/65/165089765.db2.gz HWMAKPOKZJOQDK-FQEVSTJZSA-N 1 1 321.424 3.020 10 30 DGEEMO N#Cc1ccc(C[N@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)o1 ZINC000365618466 287154241 /nfs/dbraw/zinc/15/42/41/287154241.db2.gz POXAYJGHXAIVMD-GUYCJALGSA-N 1 1 316.788 3.013 10 30 DGEEMO Cc1ccc(C[N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000182627603 432211982 /nfs/dbraw/zinc/21/19/82/432211982.db2.gz HBEJFOVKFUIVPP-SFHVURJKSA-N 1 1 323.396 3.087 10 30 DGEEMO Cc1ccc(C[N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000182627603 432211984 /nfs/dbraw/zinc/21/19/84/432211984.db2.gz HBEJFOVKFUIVPP-SFHVURJKSA-N 1 1 323.396 3.087 10 30 DGEEMO Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000182627584 432212152 /nfs/dbraw/zinc/21/21/52/432212152.db2.gz HBEJFOVKFUIVPP-GOSISDBHSA-N 1 1 323.396 3.087 10 30 DGEEMO Cc1ccc(C[N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 ZINC000182627584 432212153 /nfs/dbraw/zinc/21/21/53/432212153.db2.gz HBEJFOVKFUIVPP-GOSISDBHSA-N 1 1 323.396 3.087 10 30 DGEEMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000247383469 432226111 /nfs/dbraw/zinc/22/61/11/432226111.db2.gz LGLYGZSKFRAOEI-LNLFQRSKSA-N 1 1 303.446 3.392 10 30 DGEEMO Cc1nc(CN2CCC[N@@H+](CC(C)(C)CCC#N)CC2)cs1 ZINC000157264336 228232773 /nfs/dbraw/zinc/23/27/73/228232773.db2.gz AKGDGHXRALTMEI-UHFFFAOYSA-N 1 1 320.506 3.289 10 30 DGEEMO C=C[C@H](CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000270364155 432237205 /nfs/dbraw/zinc/23/72/05/432237205.db2.gz YJCSEQNDAPZHQK-BPIHKTFHSA-N 1 1 312.457 3.478 10 30 DGEEMO C[C@H]1CCCC[N@H+]1CCC1CCN(c2ccncc2C#N)CC1 ZINC000364347070 267212099 /nfs/dbraw/zinc/21/20/99/267212099.db2.gz KWJYZFXZHHRFLH-INIZCTEOSA-N 1 1 312.461 3.434 10 30 DGEEMO N#Cc1ccncc1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000354558546 268300523 /nfs/dbraw/zinc/30/05/23/268300523.db2.gz HSDCELOZRUGOCD-GOSISDBHSA-N 1 1 306.413 3.420 10 30 DGEEMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000245544880 279181345 /nfs/dbraw/zinc/18/13/45/279181345.db2.gz STYPWLLSOCBLHC-FHLIZLRMSA-N 1 1 300.402 3.121 10 30 DGEEMO Cc1cc(C#N)cc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)n1 ZINC000342822944 280314131 /nfs/dbraw/zinc/31/41/31/280314131.db2.gz GGWDBKLXCIKBEE-KRWDZBQOSA-N 1 1 320.440 3.363 10 30 DGEEMO O[C@H](C[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1)C(F)(F)F ZINC000121924817 431807792 /nfs/dbraw/zinc/80/77/92/431807792.db2.gz CQZFMAQTGWBIHM-NXEZZACHSA-N 1 1 319.220 3.332 10 30 DGEEMO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093845394 431918399 /nfs/dbraw/zinc/91/83/99/431918399.db2.gz LWBNGMBQGURELR-SFHVURJKSA-N 1 1 319.412 3.272 10 30 DGEEMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093845394 431918400 /nfs/dbraw/zinc/91/84/00/431918400.db2.gz LWBNGMBQGURELR-SFHVURJKSA-N 1 1 319.412 3.272 10 30 DGEEMO C[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccccc1 ZINC000093867464 431919080 /nfs/dbraw/zinc/91/90/80/431919080.db2.gz RZETZFFNIBOVJR-KUHUBIRLSA-N 1 1 302.381 3.399 10 30 DGEEMO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccccc1 ZINC000093867464 431919081 /nfs/dbraw/zinc/91/90/81/431919081.db2.gz RZETZFFNIBOVJR-KUHUBIRLSA-N 1 1 302.381 3.399 10 30 DGEEMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CCC)C2)c1 ZINC000124268823 431887887 /nfs/dbraw/zinc/88/78/87/431887887.db2.gz VEWKNXXZMFJCQZ-QGZVFWFLSA-N 1 1 316.445 3.132 10 30 DGEEMO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000097477832 431969836 /nfs/dbraw/zinc/96/98/36/431969836.db2.gz IUUKLCJNDNUUDA-KGLIPLIRSA-N 1 1 321.852 3.341 10 30 DGEEMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000097477832 431969838 /nfs/dbraw/zinc/96/98/38/431969838.db2.gz IUUKLCJNDNUUDA-KGLIPLIRSA-N 1 1 321.852 3.341 10 30 DGEEMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Cl)cc2C#N)[C@@H](C)C1 ZINC000248570402 432302037 /nfs/dbraw/zinc/30/20/37/432302037.db2.gz QNROQMQWWBVMEU-SUMWQHHRSA-N 1 1 305.853 3.374 10 30 DGEEMO CCN(C[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)CC(F)(F)F ZINC000192055372 432329502 /nfs/dbraw/zinc/32/95/02/432329502.db2.gz NRDVCLKMXIWRAO-KRWDZBQOSA-N 1 1 324.390 3.244 10 30 DGEEMO C#CCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000248741575 432315869 /nfs/dbraw/zinc/31/58/69/432315869.db2.gz DROYADBBXMNHKW-NVXWUHKLSA-N 1 1 304.821 3.005 10 30 DGEEMO C#CCCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000248741575 432315872 /nfs/dbraw/zinc/31/58/72/432315872.db2.gz DROYADBBXMNHKW-NVXWUHKLSA-N 1 1 304.821 3.005 10 30 DGEEMO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NCc2cccc(OCCCC#N)c2)C1 ZINC000154093758 432472048 /nfs/dbraw/zinc/47/20/48/432472048.db2.gz QXJUSIBDBBBKRQ-APWZRJJASA-N 1 1 315.461 3.187 10 30 DGEEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NCc2cccc(OCCCC#N)c2)C1 ZINC000154093758 432472052 /nfs/dbraw/zinc/47/20/52/432472052.db2.gz QXJUSIBDBBBKRQ-APWZRJJASA-N 1 1 315.461 3.187 10 30 DGEEMO C=CCOc1cccc(NC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000176324379 432512172 /nfs/dbraw/zinc/51/21/72/432512172.db2.gz PPACZMSZTXFPRS-MRXNPFEDSA-N 1 1 317.433 3.199 10 30 DGEEMO C=CCCCN(C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194457256 432552506 /nfs/dbraw/zinc/55/25/06/432552506.db2.gz XQHUNQYPHQCHPJ-SFHVURJKSA-N 1 1 315.461 3.116 10 30 DGEEMO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000186292693 432579600 /nfs/dbraw/zinc/57/96/00/432579600.db2.gz SHHRLBSVRSWGCX-IBGZPJMESA-N 1 1 319.408 3.104 10 30 DGEEMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000186292693 432579604 /nfs/dbraw/zinc/57/96/04/432579604.db2.gz SHHRLBSVRSWGCX-IBGZPJMESA-N 1 1 319.408 3.104 10 30 DGEEMO CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1cnn(C)c1 ZINC000177094272 432584727 /nfs/dbraw/zinc/58/47/27/432584727.db2.gz ZOMKYZHKFGUFQE-UHFFFAOYSA-N 1 1 321.346 3.313 10 30 DGEEMO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)Cc1cnn(C)c1 ZINC000177094272 432584730 /nfs/dbraw/zinc/58/47/30/432584730.db2.gz ZOMKYZHKFGUFQE-UHFFFAOYSA-N 1 1 321.346 3.313 10 30 DGEEMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000160001199 432703486 /nfs/dbraw/zinc/70/34/86/432703486.db2.gz PIFMXHZHMRQYNA-KRWDZBQOSA-N 1 1 324.428 3.254 10 30 DGEEMO Cc1cc(C#N)ccc1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000161748372 432796517 /nfs/dbraw/zinc/79/65/17/432796517.db2.gz PNLOYVBASHHHOO-OAHLLOKOSA-N 1 1 313.445 3.109 10 30 DGEEMO CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CCN1CC(F)F ZINC000245711845 432858383 /nfs/dbraw/zinc/85/83/83/432858383.db2.gz FOFCAIFPQICGPK-CZUORRHYSA-N 1 1 307.388 3.281 10 30 DGEEMO CC[C@@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCN1CC(F)F ZINC000245711845 432858385 /nfs/dbraw/zinc/85/83/85/432858385.db2.gz FOFCAIFPQICGPK-CZUORRHYSA-N 1 1 307.388 3.281 10 30 DGEEMO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC000374326788 433186592 /nfs/dbraw/zinc/18/65/92/433186592.db2.gz GNEJIWAEPPJHPZ-UHFFFAOYSA-N 1 1 304.393 3.362 10 30 DGEEMO C=CCc1cc(C[N@@H+](C(C)C)[C@H]2CCOC2)cc(OC)c1O ZINC000291317066 433235401 /nfs/dbraw/zinc/23/54/01/433235401.db2.gz SFQCSZFRXNQFAQ-INIZCTEOSA-N 1 1 305.418 3.129 10 30 DGEEMO C[C@H](NCC[N@H+]1CCCC(C)(C)C1)c1ccc(C#N)cc1F ZINC000447576809 433235587 /nfs/dbraw/zinc/23/55/87/433235587.db2.gz CKLUTSGMIQYXBU-AWEZNQCLSA-N 1 1 303.425 3.470 10 30 DGEEMO C[C@H]([NH2+]CCN1CCCC(C)(C)C1)c1ccc(C#N)cc1F ZINC000447576809 433235595 /nfs/dbraw/zinc/23/55/95/433235595.db2.gz CKLUTSGMIQYXBU-AWEZNQCLSA-N 1 1 303.425 3.470 10 30 DGEEMO C=CCSc1ccccc1NC(=O)C[N@@H+](CC)[C@H]1CCOC1 ZINC000361585375 433266035 /nfs/dbraw/zinc/26/60/35/433266035.db2.gz CPHUJNYEPVWJGT-AWEZNQCLSA-N 1 1 320.458 3.014 10 30 DGEEMO C=CCSc1ccccc1NC(=O)C[N@H+](CC)[C@H]1CCOC1 ZINC000361585375 433266042 /nfs/dbraw/zinc/26/60/42/433266042.db2.gz CPHUJNYEPVWJGT-AWEZNQCLSA-N 1 1 320.458 3.014 10 30 DGEEMO C=CCCCNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000448029549 433352390 /nfs/dbraw/zinc/35/23/90/433352390.db2.gz HZSOFGSTEMYGJM-GOSISDBHSA-N 1 1 315.461 3.259 10 30 DGEEMO C=CCCCNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000447990469 433341108 /nfs/dbraw/zinc/34/11/08/433341108.db2.gz RUJGXQFEAJCSTC-WBVHZDCISA-N 1 1 301.434 3.087 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000355658717 433553925 /nfs/dbraw/zinc/55/39/25/433553925.db2.gz MBAHSFOYENPPPR-PKOBYXMFSA-N 1 1 317.429 3.021 10 30 DGEEMO N#Cc1ccc(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000301535839 433598769 /nfs/dbraw/zinc/59/87/69/433598769.db2.gz TYZLEFWBKGIGLU-IBGZPJMESA-N 1 1 306.413 3.420 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000362451419 433723707 /nfs/dbraw/zinc/72/37/07/433723707.db2.gz LQXBKQCFNBYGOI-CVEARBPZSA-N 1 1 304.434 3.477 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000362451419 433723713 /nfs/dbraw/zinc/72/37/13/433723713.db2.gz LQXBKQCFNBYGOI-CVEARBPZSA-N 1 1 304.434 3.477 10 30 DGEEMO C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328685625 434298463 /nfs/dbraw/zinc/29/84/63/434298463.db2.gz FSEQVJCYWFENAK-NVXWUHKLSA-N 1 1 318.465 3.445 10 30 DGEEMO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000328690212 434302161 /nfs/dbraw/zinc/30/21/61/434302161.db2.gz IIKSHQZZIVWUIQ-ODZFXCKXSA-N 1 1 318.465 3.444 10 30 DGEEMO C=CCC1(C(=O)N2CCC(n3c[nH+]cc3C)CC2)CCCC1 ZINC000450711243 434356211 /nfs/dbraw/zinc/35/62/11/434356211.db2.gz HHSCTRJICIKYHQ-UHFFFAOYSA-N 1 1 301.434 3.492 10 30 DGEEMO C[C@@H](N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358555418 434396098 /nfs/dbraw/zinc/39/60/98/434396098.db2.gz KYGNYSGTEYSUEM-QLFBSQMISA-N 1 1 303.425 3.468 10 30 DGEEMO C[C@@H]([NH2+][C@@H](C)CN1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358555418 434396104 /nfs/dbraw/zinc/39/61/04/434396104.db2.gz KYGNYSGTEYSUEM-QLFBSQMISA-N 1 1 303.425 3.468 10 30 DGEEMO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000358596876 434398988 /nfs/dbraw/zinc/39/89/88/434398988.db2.gz WIUQAANHGHDVBI-HOCLYGCPSA-N 1 1 303.425 3.468 10 30 DGEEMO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000358596878 434400131 /nfs/dbraw/zinc/40/01/31/434400131.db2.gz WIUQAANHGHDVBI-ZBFHGGJFSA-N 1 1 303.425 3.468 10 30 DGEEMO C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000359252370 434416147 /nfs/dbraw/zinc/41/61/47/434416147.db2.gz LGCCZXVVCKZGOA-BZUAXINKSA-N 1 1 317.481 3.041 10 30 DGEEMO CN(c1ccncc1C#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000399461381 434479737 /nfs/dbraw/zinc/47/97/37/434479737.db2.gz RGBLAQGENQFDLB-SFHVURJKSA-N 1 1 306.413 3.054 10 30 DGEEMO C=CCC1(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CCCC1 ZINC000459051501 434555030 /nfs/dbraw/zinc/55/50/30/434555030.db2.gz ORUNUPQCYWAUMY-INIZCTEOSA-N 1 1 305.466 3.001 10 30 DGEEMO C#Cc1ccc(C[NH2+]Cc2nnc(-c3ccccc3)s2)cc1 ZINC000368019095 434562986 /nfs/dbraw/zinc/56/29/86/434562986.db2.gz RCBMRSDKPSLHOD-UHFFFAOYSA-N 1 1 305.406 3.476 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000360708264 434672707 /nfs/dbraw/zinc/67/27/07/434672707.db2.gz ROGOJBQEPWHTMC-MRXNPFEDSA-N 1 1 312.457 3.347 10 30 DGEEMO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1 ZINC000573229022 434884276 /nfs/dbraw/zinc/88/42/76/434884276.db2.gz OHAIVVOGIDOAFS-IPMKNSEASA-N 1 1 300.446 3.214 10 30 DGEEMO C=CCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000573229022 434884278 /nfs/dbraw/zinc/88/42/78/434884278.db2.gz OHAIVVOGIDOAFS-IPMKNSEASA-N 1 1 300.446 3.214 10 30 DGEEMO C=CCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000573229022 434884281 /nfs/dbraw/zinc/88/42/81/434884281.db2.gz OHAIVVOGIDOAFS-IPMKNSEASA-N 1 1 300.446 3.214 10 30 DGEEMO C=CC[C@H](Cc1ccccc1)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000574172246 434956644 /nfs/dbraw/zinc/95/66/44/434956644.db2.gz UZHHUOIQDICXAU-QGZVFWFLSA-N 1 1 323.440 3.066 10 30 DGEEMO C=CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)c1 ZINC000467372957 435118295 /nfs/dbraw/zinc/11/82/95/435118295.db2.gz HSVCTODTFPXBIN-RYQLBKOJSA-N 1 1 315.413 3.025 10 30 DGEEMO C=CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)c1 ZINC000467372957 435118297 /nfs/dbraw/zinc/11/82/97/435118297.db2.gz HSVCTODTFPXBIN-RYQLBKOJSA-N 1 1 315.413 3.025 10 30 DGEEMO C=CCC[C@H](O)C[N@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000537176344 435428880 /nfs/dbraw/zinc/42/88/80/435428880.db2.gz CLFSBUFAYRFPDS-HNNXBMFYSA-N 1 1 324.262 3.443 10 30 DGEEMO N#Cc1cnccc1Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000548152338 435673223 /nfs/dbraw/zinc/67/32/23/435673223.db2.gz YJIVJPDOKJBGNN-UHFFFAOYSA-N 1 1 303.369 3.195 10 30 DGEEMO CCC[C@H]1CN(c2ccncc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000548490418 435698773 /nfs/dbraw/zinc/69/87/73/435698773.db2.gz VKBQILWLLUJKAB-IBGZPJMESA-N 1 1 320.440 3.444 10 30 DGEEMO CC[NH+](CC)CCCC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000180792825 323238718 /nfs/dbraw/zinc/23/87/18/323238718.db2.gz BVSVXDKLAHAFBJ-UHFFFAOYSA-N 1 1 303.450 3.485 10 30 DGEEMO C=CCC1(NC(=O)Cn2c[nH+]c3c2CCCC3)CCCCC1 ZINC000562629940 332611294 /nfs/dbraw/zinc/61/12/94/332611294.db2.gz AFYLZGKDLLKGRL-UHFFFAOYSA-N 1 1 301.434 3.157 10 30 DGEEMO C=C(Cl)CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000364056350 333228867 /nfs/dbraw/zinc/22/88/67/333228867.db2.gz ONPVNBMJOVZXQC-GFCCVEGCSA-N 1 1 318.808 3.293 10 30 DGEEMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CCc2ccccc2)C1=O ZINC000499594414 340040153 /nfs/dbraw/zinc/04/01/53/340040153.db2.gz SVYYRSWQXATZSL-RTBURBONSA-N 1 1 312.457 3.261 10 30 DGEEMO C#C[C@@](C)(CC)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000384224499 1177093136 /nfs/dbraw/zinc/09/31/36/1177093136.db2.gz UOVVBLXQWUMIKF-AWEZNQCLSA-N 1 1 310.191 3.069 10 30 DGEEMO COc1cc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)ccc1C#N ZINC000442879622 533792255 /nfs/dbraw/zinc/79/22/55/533792255.db2.gz JHFWZFWLEQRLOE-AWEZNQCLSA-N 1 1 310.397 3.335 10 30 DGEEMO C=CCOc1ccc(CNC[C@H]2CCC[N@@H+]2CC)cc1OCC ZINC000022936363 519034493 /nfs/dbraw/zinc/03/44/93/519034493.db2.gz XWASYAIQQGKJOW-QGZVFWFLSA-N 1 1 318.461 3.224 10 30 DGEEMO C=CCOc1ccc(CNC[C@H]2CCC[N@H+]2CC)cc1OCC ZINC000022936363 519034497 /nfs/dbraw/zinc/03/44/97/519034497.db2.gz XWASYAIQQGKJOW-QGZVFWFLSA-N 1 1 318.461 3.224 10 30 DGEEMO C=C(CC)CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000455516944 534409644 /nfs/dbraw/zinc/40/96/44/534409644.db2.gz DELGSHYXKGQBQY-GOEBONIOSA-N 1 1 321.490 3.396 10 30 DGEEMO Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)CC[C@@H]2C)c(C#N)c1C ZINC000177359363 534610798 /nfs/dbraw/zinc/61/07/98/534610798.db2.gz AXBNNXNGUFPKIQ-MNOVXSKESA-N 1 1 305.447 3.296 10 30 DGEEMO Cc1sc(NC(=O)C[N@H+]2C[C@H](C)CC[C@@H]2C)c(C#N)c1C ZINC000177359363 534610801 /nfs/dbraw/zinc/61/08/01/534610801.db2.gz AXBNNXNGUFPKIQ-MNOVXSKESA-N 1 1 305.447 3.296 10 30 DGEEMO C=CCCCNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000454878942 534726780 /nfs/dbraw/zinc/72/67/80/534726780.db2.gz UNDAGUGCENCRKH-KRWDZBQOSA-N 1 1 315.461 3.116 10 30 DGEEMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000318446091 534784108 /nfs/dbraw/zinc/78/41/08/534784108.db2.gz OWZQPKJOGIRRQU-NXHRZFHOSA-N 1 1 302.393 3.213 10 30 DGEEMO C=CCOc1ccc(CN2CC[N@H+](C3CC3)C[C@H](C)C2)cc1 ZINC000449350494 534883033 /nfs/dbraw/zinc/88/30/33/534883033.db2.gz ZMXCQAKOPOLEHT-MRXNPFEDSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCN(C3CC3)C[C@H](C)C2)cc1 ZINC000449350494 534883035 /nfs/dbraw/zinc/88/30/35/534883035.db2.gz ZMXCQAKOPOLEHT-MRXNPFEDSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCN(C3CC3)C[C@H](C)C2)cc1 ZINC000449350494 534883037 /nfs/dbraw/zinc/88/30/37/534883037.db2.gz ZMXCQAKOPOLEHT-MRXNPFEDSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CC[C@](O)(C(F)F)C2)cc1Cl ZINC000449467751 534883791 /nfs/dbraw/zinc/88/37/91/534883791.db2.gz JRIXRMYHRHPBEX-OAHLLOKOSA-N 1 1 317.763 3.107 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CC[C@](O)(C(F)F)C2)cc1Cl ZINC000449467751 534883796 /nfs/dbraw/zinc/88/37/96/534883796.db2.gz JRIXRMYHRHPBEX-OAHLLOKOSA-N 1 1 317.763 3.107 10 30 DGEEMO C=CC[NH+]1CCC(N[C@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000337503731 526453991 /nfs/dbraw/zinc/45/39/91/526453991.db2.gz DBXWACLIVIEVLZ-OAHLLOKOSA-N 1 1 302.466 3.299 10 30 DGEEMO C=C(C)CN(C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183258702 526492058 /nfs/dbraw/zinc/49/20/58/526492058.db2.gz YJIUYPJICWZISV-CQSZACIVSA-N 1 1 312.417 3.459 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338348247 526520054 /nfs/dbraw/zinc/52/00/54/526520054.db2.gz ZPQVVOKWHYAERN-UHFFFAOYSA-N 1 1 302.418 3.183 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338348247 526520060 /nfs/dbraw/zinc/52/00/60/526520060.db2.gz ZPQVVOKWHYAERN-UHFFFAOYSA-N 1 1 302.418 3.183 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443329725 526541252 /nfs/dbraw/zinc/54/12/52/526541252.db2.gz BUAGNGGVKBDILY-INIZCTEOSA-N 1 1 322.493 3.223 10 30 DGEEMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H]1CCO[C@H](CC)C1 ZINC000348639806 526559954 /nfs/dbraw/zinc/55/99/54/526559954.db2.gz ZMCGMXJNRCGPHU-HZPDHXFCSA-N 1 1 307.434 3.355 10 30 DGEEMO C=C(C)COc1cc(C[N@@H+](C)C[C@H]2CCCO2)ccc1OC ZINC000128125135 526658994 /nfs/dbraw/zinc/65/89/94/526658994.db2.gz ISXJWJPWQZPLPC-MRXNPFEDSA-N 1 1 305.418 3.261 10 30 DGEEMO C=CCOc1ccc(C[N@H+](C[C@H](C)C(=O)OC)C2CC2)cc1 ZINC000357217642 526863040 /nfs/dbraw/zinc/86/30/40/526863040.db2.gz VFEVRVVEAMCWGH-AWEZNQCLSA-N 1 1 303.402 3.025 10 30 DGEEMO C=CCOc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000355202350 526934254 /nfs/dbraw/zinc/93/42/54/526934254.db2.gz CTQSFRMXZGGGGY-FUHWJXTLSA-N 1 1 300.446 3.168 10 30 DGEEMO C=CCCCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000346552432 527167960 /nfs/dbraw/zinc/16/79/60/527167960.db2.gz UZNIKMAOZHMYCO-UHFFFAOYSA-N 1 1 320.343 3.291 10 30 DGEEMO C=CCCC[N@H+](C)CCOc1ccc(C(=O)OC)cc1Cl ZINC000441381377 527192321 /nfs/dbraw/zinc/19/23/21/527192321.db2.gz LYSKDZICCXFPKB-UHFFFAOYSA-N 1 1 311.809 3.403 10 30 DGEEMO C=CC[C@H]1[N@@H+](Cc2ccc(C(=O)OC)cn2)CCCC1(C)C ZINC000352405313 527226372 /nfs/dbraw/zinc/22/63/72/527226372.db2.gz HFDBNDJKWBRJEF-MRXNPFEDSA-N 1 1 302.418 3.435 10 30 DGEEMO C=CC[N@@H+](CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)C1CC1 ZINC000357550889 527581329 /nfs/dbraw/zinc/58/13/29/527581329.db2.gz HSWWEWWYTSVBBO-MRXNPFEDSA-N 1 1 312.457 3.464 10 30 DGEEMO C=CC[N@H+](CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)C1CC1 ZINC000357550889 527581334 /nfs/dbraw/zinc/58/13/34/527581334.db2.gz HSWWEWWYTSVBBO-MRXNPFEDSA-N 1 1 312.457 3.464 10 30 DGEEMO CCOC[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177366661 528937530 /nfs/dbraw/zinc/93/75/30/528937530.db2.gz RITPJUJNXLSTEA-OAHLLOKOSA-N 1 1 311.347 3.415 10 30 DGEEMO CCC(C#N)(CC)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000390796835 546755635 /nfs/dbraw/zinc/75/56/35/546755635.db2.gz KFPFTLJGWKYBPS-KRWDZBQOSA-N 1 1 313.445 3.049 10 30 DGEEMO C#CCCNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000733302960 574612523 /nfs/dbraw/zinc/61/25/23/574612523.db2.gz ZUWADYOTJGPCPN-UHFFFAOYSA-N 1 1 314.458 3.339 10 30 DGEEMO C=CCCOCC(=O)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000734298961 574655192 /nfs/dbraw/zinc/65/51/92/574655192.db2.gz NBKOKGXKEVLLHG-SFHVURJKSA-N 1 1 317.429 3.035 10 30 DGEEMO C[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H]1CCCCO1 ZINC000735308321 574696561 /nfs/dbraw/zinc/69/65/61/574696561.db2.gz HEPJDFVTZOBBFO-HNNXBMFYSA-N 1 1 308.809 3.243 10 30 DGEEMO CCOC1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735308829 574696601 /nfs/dbraw/zinc/69/66/01/574696601.db2.gz UXROGYDKWWVALE-UHFFFAOYSA-N 1 1 308.809 3.243 10 30 DGEEMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000735310967 574696887 /nfs/dbraw/zinc/69/68/87/574696887.db2.gz JILXUBWGQXKMHH-HZPDHXFCSA-N 1 1 322.836 3.368 10 30 DGEEMO C=CCCC(=O)OC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000735902271 574721502 /nfs/dbraw/zinc/72/15/02/574721502.db2.gz DHKHRWYYYFAOHK-YJBOKZPZSA-N 1 1 303.402 3.197 10 30 DGEEMO C#CCCCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000119742364 621721543 /nfs/dbraw/zinc/72/15/43/621721543.db2.gz ZJNXIEAVNVWNFP-LJQANCHMSA-N 1 1 312.457 3.351 10 30 DGEEMO CC(C)C[N@H+]1CCC[C@@H]1CN=Cc1cc2ccccc2[nH]c1=O ZINC000129621465 625707275 /nfs/dbraw/zinc/70/72/75/625707275.db2.gz KBORDPMMLDRLQG-MLHZQLSASA-N 1 1 311.429 3.480 10 30 DGEEMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@@H](C)CC1 ZINC000131105226 625944180 /nfs/dbraw/zinc/94/41/80/625944180.db2.gz NQWDJRYLMLHLPP-CQSZACIVSA-N 1 1 309.417 3.205 10 30 DGEEMO C(#Cc1ccccc1)CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309745443 655880282 /nfs/dbraw/zinc/88/02/82/655880282.db2.gz UCPGHETWXSWXNX-OAQYLSRUSA-N 1 1 304.437 3.150 10 30 DGEEMO C=C(Br)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309921143 656125931 /nfs/dbraw/zinc/12/59/31/656125931.db2.gz QVRMZPWRBDDSEJ-OAHLLOKOSA-N 1 1 309.251 3.101 10 30 DGEEMO CCN(CC)[C@H](C)CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304640204 657641238 /nfs/dbraw/zinc/64/12/38/657641238.db2.gz CFQJIXCTGDZMAF-CQSZACIVSA-N 1 1 302.466 3.022 10 30 DGEEMO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1O ZINC000164142256 658918690 /nfs/dbraw/zinc/91/86/90/658918690.db2.gz SKYAFYIUVSTMBB-ROUUACIJSA-N 1 1 317.429 3.273 10 30 DGEEMO C=CCc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c(O)c(OC)c1 ZINC000164142117 658918782 /nfs/dbraw/zinc/91/87/82/658918782.db2.gz XFAOGNTWANQAOQ-DLBZAZTESA-N 1 1 317.429 3.273 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1 ZINC000446840192 660053902 /nfs/dbraw/zinc/05/39/02/660053902.db2.gz DUGCSYYDKOGKOD-KRWDZBQOSA-N 1 1 311.429 3.365 10 30 DGEEMO C#CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1OC)C1CCCC1 ZINC000155758057 661852081 /nfs/dbraw/zinc/85/20/81/661852081.db2.gz UAYHQSCUXFXFHV-UHFFFAOYSA-N 1 1 320.820 3.165 10 30 DGEEMO C#CC[N@H+](CC(=O)Nc1cc(Cl)ccc1OC)C1CCCC1 ZINC000155758057 661852083 /nfs/dbraw/zinc/85/20/83/661852083.db2.gz UAYHQSCUXFXFHV-UHFFFAOYSA-N 1 1 320.820 3.165 10 30 DGEEMO CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@H](C)C#N)cc2)[C@@H](C)C1 ZINC000245750098 662240221 /nfs/dbraw/zinc/24/02/21/662240221.db2.gz NRMLCKCUYBSXSU-FCEWJHQRSA-N 1 1 315.461 3.140 10 30 DGEEMO CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)[C@@H](C)C1 ZINC000245750098 662240223 /nfs/dbraw/zinc/24/02/23/662240223.db2.gz NRMLCKCUYBSXSU-FCEWJHQRSA-N 1 1 315.461 3.140 10 30 DGEEMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)[C@@H](C)C1 ZINC000245750098 662240224 /nfs/dbraw/zinc/24/02/24/662240224.db2.gz NRMLCKCUYBSXSU-FCEWJHQRSA-N 1 1 315.461 3.140 10 30 DGEEMO CCN1CC[C@H]([N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)[C@@H](C)C1 ZINC000245750098 662240226 /nfs/dbraw/zinc/24/02/26/662240226.db2.gz NRMLCKCUYBSXSU-FCEWJHQRSA-N 1 1 315.461 3.140 10 30 DGEEMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)[C@@H](C)C1 ZINC000245750098 662240228 /nfs/dbraw/zinc/24/02/28/662240228.db2.gz NRMLCKCUYBSXSU-FCEWJHQRSA-N 1 1 315.461 3.140 10 30 DGEEMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(O[C@H](C)C#N)cc2)[C@@H](C)C1 ZINC000245750098 662240230 /nfs/dbraw/zinc/24/02/30/662240230.db2.gz NRMLCKCUYBSXSU-FCEWJHQRSA-N 1 1 315.461 3.140 10 30 DGEEMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(O[C@H](C)C#N)cc2)[C@@H](C)C1 ZINC000245750098 662240231 /nfs/dbraw/zinc/24/02/31/662240231.db2.gz NRMLCKCUYBSXSU-FCEWJHQRSA-N 1 1 315.461 3.140 10 30 DGEEMO N#Cc1ccc(Br)cc1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000229384157 1176584690 /nfs/dbraw/zinc/58/46/90/1176584690.db2.gz OOVJOXIUQJOSHZ-HIFRSBDPSA-N 1 1 320.234 3.359 10 30 DGEEMO CC1=CC[N@@H+](CCNC(=O)[C@@H]2CC(=O)Nc3ccccc32)CC1 ZINC000329184338 1176997196 /nfs/dbraw/zinc/99/71/96/1176997196.db2.gz OGVUKVXLKMCAHC-OAHLLOKOSA-N 1 1 313.401 3.370 10 30 DGEEMO CC[N@H+](C)CCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000066878054 1195572107 /nfs/dbraw/zinc/57/21/07/1195572107.db2.gz IZOWDBIGSYRXLS-UHFFFAOYSA-N 1 1 323.440 3.179 10 30 DGEEMO CC[N@@H+](C)CCNCc1cccc(OCc2cccc(C#N)c2)c1 ZINC000066878054 1195572110 /nfs/dbraw/zinc/57/21/10/1195572110.db2.gz IZOWDBIGSYRXLS-UHFFFAOYSA-N 1 1 323.440 3.179 10 30 DGEEMO C=CCOc1ccc(CNCC[NH+]2CCC(C)CC2)cc1OC ZINC000237168153 1202652619 /nfs/dbraw/zinc/65/26/19/1202652619.db2.gz HNPVGLJGZWRCPK-UHFFFAOYSA-N 1 1 318.461 3.082 10 30 DGEEMO Cn1ccnc1[C@@H]([NH2+]CCCCC#N)c1ccccc1Cl ZINC000180640371 1204332950 /nfs/dbraw/zinc/33/29/50/1204332950.db2.gz HCQLBKSJMLAFAO-HNNXBMFYSA-N 1 1 302.809 3.446 10 30 DGEEMO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)o1 ZINC000092666866 185332708 /nfs/dbraw/zinc/33/27/08/185332708.db2.gz FGANFKACNNCKCG-QGZVFWFLSA-N 1 1 314.360 3.472 10 30 DGEEMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)o1 ZINC000092666866 185332709 /nfs/dbraw/zinc/33/27/09/185332709.db2.gz FGANFKACNNCKCG-QGZVFWFLSA-N 1 1 314.360 3.472 10 30 DGEEMO CN(C)c1cc[nH+]cc1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000183524756 529799913 /nfs/dbraw/zinc/79/99/13/529799913.db2.gz JWGVTWPCEWCMHH-UHFFFAOYSA-N 1 1 324.384 3.082 10 30 DGEEMO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000066851611 432022694 /nfs/dbraw/zinc/02/26/94/432022694.db2.gz VCIBSYBJBKQQIB-UZLBHIALSA-N 1 1 322.408 3.399 10 30 DGEEMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000066851611 432022696 /nfs/dbraw/zinc/02/26/96/432022696.db2.gz VCIBSYBJBKQQIB-UZLBHIALSA-N 1 1 322.408 3.399 10 30 DGEEMO Cc1cc(C#N)ccc1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000182073545 199383835 /nfs/dbraw/zinc/38/38/35/199383835.db2.gz ZOAVXDWWMZXKTO-MRXNPFEDSA-N 1 1 321.424 3.117 10 30 DGEEMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000131864049 432041081 /nfs/dbraw/zinc/04/10/81/432041081.db2.gz YYHHSDAXIXILPA-RDTXWAMCSA-N 1 1 310.401 3.048 10 30 DGEEMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000131921685 432042034 /nfs/dbraw/zinc/04/20/34/432042034.db2.gz HBHTZCKMNSMYDO-LJQANCHMSA-N 1 1 323.444 3.107 10 30 DGEEMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000131906425 432041515 /nfs/dbraw/zinc/04/15/15/432041515.db2.gz RJZDCGNDLOGUMF-IBGZPJMESA-N 1 1 309.413 3.159 10 30 DGEEMO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000236807595 202020459 /nfs/dbraw/zinc/02/04/59/202020459.db2.gz XCNPPCZENPTIOP-UHFFFAOYSA-N 1 1 312.369 3.396 10 30 DGEEMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc(Cl)nc1 ZINC000080909622 192199300 /nfs/dbraw/zinc/19/93/00/192199300.db2.gz AYRNMXLEUPMOOR-UHFFFAOYSA-N 1 1 301.777 3.117 10 30 DGEEMO COc1ccc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)cc1C#N ZINC000135101144 432097736 /nfs/dbraw/zinc/09/77/36/432097736.db2.gz IUBWSXGMJXHCGJ-SFHVURJKSA-N 1 1 314.429 3.490 10 30 DGEEMO C[C@H]1c2ccccc2CC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093149413 193207995 /nfs/dbraw/zinc/20/79/95/193207995.db2.gz JCMOADPSZQWJLL-AWEZNQCLSA-N 1 1 302.381 3.325 10 30 DGEEMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093149413 193207996 /nfs/dbraw/zinc/20/79/96/193207996.db2.gz JCMOADPSZQWJLL-AWEZNQCLSA-N 1 1 302.381 3.325 10 30 DGEEMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cnc3ccc(C#N)cn23)C1 ZINC000093868671 193320938 /nfs/dbraw/zinc/32/09/38/193320938.db2.gz SIFIHDYLNQSMIM-GOEBONIOSA-N 1 1 314.458 3.312 10 30 DGEEMO CCn1cc(C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)cn1 ZINC000171382680 432129183 /nfs/dbraw/zinc/12/91/83/432129183.db2.gz ZXHOIBRLSDJPRD-UHFFFAOYSA-N 1 1 312.392 3.293 10 30 DGEEMO CCC(CC)C[N@@H+](CC)CCS(=O)(=O)c1cccc(C#N)c1 ZINC000128465810 284376267 /nfs/dbraw/zinc/37/62/67/284376267.db2.gz YXVLDGIUQWPXCE-UHFFFAOYSA-N 1 1 322.474 3.090 10 30 DGEEMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246436829 432129795 /nfs/dbraw/zinc/12/97/95/432129795.db2.gz CXSAIVOYNQLQHI-JLSDUUJJSA-N 1 1 315.392 3.157 10 30 DGEEMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000246436829 432129800 /nfs/dbraw/zinc/12/98/00/432129800.db2.gz CXSAIVOYNQLQHI-JLSDUUJJSA-N 1 1 315.392 3.157 10 30 DGEEMO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H](C)/C(N)=N/O ZINC000042445141 183271456 /nfs/dbraw/zinc/27/14/56/183271456.db2.gz DHKGOPNQUZIVIV-SECBINFHSA-N 1 1 304.221 3.198 10 30 DGEEMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000061892219 184192937 /nfs/dbraw/zinc/19/29/37/184192937.db2.gz OKMWVAHERGOLNT-PWSUYJOCSA-N 1 1 324.178 3.139 10 30 DGEEMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000120884611 195256914 /nfs/dbraw/zinc/25/69/14/195256914.db2.gz IUPFBSLMVANNKC-KRWDZBQOSA-N 1 1 324.428 3.254 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271645908 209089569 /nfs/dbraw/zinc/08/95/69/209089569.db2.gz TUUVLPXXIHFXKT-ZIAGYGMSSA-N 1 1 319.405 3.059 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271645899 209089080 /nfs/dbraw/zinc/08/90/80/209089080.db2.gz TUUVLPXXIHFXKT-KBPBESRZSA-N 1 1 319.405 3.059 10 30 DGEEMO CCc1[nH+]ccn1[C@H]1CCCN(c2nc(C)cc(C)c2C#N)C1 ZINC000122917317 195520508 /nfs/dbraw/zinc/52/05/08/195520508.db2.gz LTDMJSOLJVYDCK-HNNXBMFYSA-N 1 1 309.417 3.171 10 30 DGEEMO Cn1cc[nH+]c1C[C@@H](Nc1cc(C#N)ccn1)c1ccccc1 ZINC000587987828 400177322 /nfs/dbraw/zinc/17/73/22/400177322.db2.gz FRJXNGPAUBGRIZ-MRXNPFEDSA-N 1 1 303.369 3.083 10 30 DGEEMO CC(C)(C)OC(=O)NCC[N@@H+]1CCC[C@@H]1c1ccccc1C#N ZINC000616608377 400182878 /nfs/dbraw/zinc/18/28/78/400182878.db2.gz SEERXZSINJMGPH-MRXNPFEDSA-N 1 1 315.417 3.220 10 30 DGEEMO CC(C)(C)OC(=O)NCC[N@H+]1CCC[C@@H]1c1ccccc1C#N ZINC000616608377 400182881 /nfs/dbraw/zinc/18/28/81/400182881.db2.gz SEERXZSINJMGPH-MRXNPFEDSA-N 1 1 315.417 3.220 10 30 DGEEMO C=CCCC[C@@H](C)[N@H+](C)CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000091624065 400128316 /nfs/dbraw/zinc/12/83/16/400128316.db2.gz FLLJJPXSIBKMSN-CQSZACIVSA-N 1 1 320.433 3.319 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)cc1 ZINC000091832175 400138715 /nfs/dbraw/zinc/13/87/15/400138715.db2.gz OHPKBMVKCDEQIW-INIZCTEOSA-N 1 1 313.401 3.322 10 30 DGEEMO Cn1cc[nH+]c1C[C@@H](Nc1cccc(C#N)n1)c1ccccc1 ZINC000610282354 400234227 /nfs/dbraw/zinc/23/42/27/400234227.db2.gz NRCNRWLJMOPDTL-MRXNPFEDSA-N 1 1 303.369 3.083 10 30 DGEEMO C=CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617009016 400272595 /nfs/dbraw/zinc/27/25/95/400272595.db2.gz QGJZKXIHXGDLKK-SJORKVTESA-N 1 1 300.446 3.335 10 30 DGEEMO C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000617043991 400292036 /nfs/dbraw/zinc/29/20/36/400292036.db2.gz HMCMVMYIJAWFLD-RHSMWYFYSA-N 1 1 310.401 3.132 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1 ZINC000093869899 400261119 /nfs/dbraw/zinc/26/11/19/400261119.db2.gz OWDZEENNEDQVNW-KRWDZBQOSA-N 1 1 311.429 3.050 10 30 DGEEMO CN(CCC#N)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000042361539 400430542 /nfs/dbraw/zinc/43/05/42/400430542.db2.gz QOBPSZRKBLMBIZ-UHFFFAOYSA-N 1 1 321.424 3.061 10 30 DGEEMO C=C[C@@H]([NH2+]C)c1ncc(Br)cc1Br ZINC000133296747 400569618 /nfs/dbraw/zinc/56/96/18/400569618.db2.gz MWUOIRXOYCBGGS-MRVPVSSYSA-N 1 1 306.001 3.053 10 30 DGEEMO C=CCCCN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000135667386 400588160 /nfs/dbraw/zinc/58/81/60/400588160.db2.gz CHZYAFQOMPHNBR-KRWDZBQOSA-N 1 1 318.486 3.201 10 30 DGEEMO C=CCCC[N@H+](C)CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000605743195 400884929 /nfs/dbraw/zinc/88/49/29/400884929.db2.gz ZKBGFANVDQSFNQ-UHFFFAOYSA-N 1 1 302.462 3.367 10 30 DGEEMO C=CCC1(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)CCCCC1 ZINC000614105541 400838440 /nfs/dbraw/zinc/83/84/40/400838440.db2.gz LLFFWWWKZZLUFL-JKSUJKDBSA-N 1 1 308.441 3.158 10 30 DGEEMO C=C(C)CN(Cc1ccccc1)C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000614242826 400861449 /nfs/dbraw/zinc/86/14/49/400861449.db2.gz YNAOJAXMFOLGOO-MRXNPFEDSA-N 1 1 309.413 3.120 10 30 DGEEMO C=CCOc1cccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000056625091 400938694 /nfs/dbraw/zinc/93/86/94/400938694.db2.gz YDQQPBWHVLLDCO-OAHLLOKOSA-N 1 1 317.433 3.247 10 30 DGEEMO C=CCNC(=O)C[N@H+]1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000181950902 400891039 /nfs/dbraw/zinc/89/10/39/400891039.db2.gz KNBCWOMZMFSZSM-BOLDSZDNSA-N 1 1 304.459 3.308 10 30 DGEEMO C=CC[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000624788556 400951658 /nfs/dbraw/zinc/95/16/58/400951658.db2.gz VSEJKLZFNMTTME-WBVHZDCISA-N 1 1 305.466 3.001 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)cc1OC ZINC000188303016 400907921 /nfs/dbraw/zinc/90/79/21/400907921.db2.gz HSWKJQUDTAHBDS-KSSFIOAISA-N 1 1 305.418 3.117 10 30 DGEEMO C=CCCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620192479 401010189 /nfs/dbraw/zinc/01/01/89/401010189.db2.gz MYVYAGVFTQHCHK-SFHVURJKSA-N 1 1 312.457 3.371 10 30 DGEEMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)CC1(O)CCC1 ZINC000625045852 401016293 /nfs/dbraw/zinc/01/62/93/401016293.db2.gz PRVSZZUSPGQXBH-GFCCVEGCSA-N 1 1 315.866 3.056 10 30 DGEEMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000620309725 401053986 /nfs/dbraw/zinc/05/39/86/401053986.db2.gz CTZDKRUBEYJNHM-ZYSHUDEJSA-N 1 1 310.441 3.143 10 30 DGEEMO C=CC[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000600184875 401212957 /nfs/dbraw/zinc/21/29/57/401212957.db2.gz HZVYUYGESRQPEJ-MRXNPFEDSA-N 1 1 321.428 3.257 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)c3n2CCCC3)C1 ZINC000600186087 401214213 /nfs/dbraw/zinc/21/42/13/401214213.db2.gz OMBDQYPFYKSGOD-CQSZACIVSA-N 1 1 302.418 3.009 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2cc(C(=O)OC)c3n2CCCC3)C1 ZINC000600186086 401214350 /nfs/dbraw/zinc/21/43/50/401214350.db2.gz OMBDQYPFYKSGOD-AWEZNQCLSA-N 1 1 302.418 3.009 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CCCS(=O)(=O)c2ccc(C)cc2)C1 ZINC000625701493 401185640 /nfs/dbraw/zinc/18/56/40/401185640.db2.gz KGTVOJUMRANNGN-MRXNPFEDSA-N 1 1 307.459 3.057 10 30 DGEEMO C=CC[C@H]1CC[N@H+](Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000625701117 401185937 /nfs/dbraw/zinc/18/59/37/401185937.db2.gz OOVOPWMTEARBDH-INIZCTEOSA-N 1 1 300.446 3.470 10 30 DGEEMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2OC(F)F)C1 ZINC000625702215 401186517 /nfs/dbraw/zinc/18/65/17/401186517.db2.gz FLHOPXIRUIUJGF-GFCCVEGCSA-N 1 1 310.344 3.125 10 30 DGEEMO C[N@H+]1CC[C@@H](Nc2ncccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000089651993 401234205 /nfs/dbraw/zinc/23/42/05/401234205.db2.gz KUZWIONXCBAHHN-CVEARBPZSA-N 1 1 312.804 3.464 10 30 DGEEMO C[N@H+]1CC[C@H](Nc2ncccc2C#N)[C@@H]1c1ccc(Cl)cc1 ZINC000089651992 401234583 /nfs/dbraw/zinc/23/45/83/401234583.db2.gz KUZWIONXCBAHHN-HOTGVXAUSA-N 1 1 312.804 3.464 10 30 DGEEMO C=C1CC(C)(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000631559970 401497515 /nfs/dbraw/zinc/49/75/15/401497515.db2.gz NNXFWWLCMDCBAT-SFHVURJKSA-N 1 1 312.457 3.323 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000623388598 401506626 /nfs/dbraw/zinc/50/66/26/401506626.db2.gz OEMCBTGESNINOB-QGZVFWFLSA-N 1 1 315.461 3.116 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000623466172 401524045 /nfs/dbraw/zinc/52/40/45/401524045.db2.gz UQLYUSINLWYAED-DLBZAZTESA-N 1 1 307.482 3.249 10 30 DGEEMO C=CCCn1cc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)nn1 ZINC000623708754 401570130 /nfs/dbraw/zinc/57/01/30/401570130.db2.gz TZLIYFUCPORLSF-MRXNPFEDSA-N 1 1 302.809 3.285 10 30 DGEEMO C=C[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC000628965191 401651233 /nfs/dbraw/zinc/65/12/33/401651233.db2.gz KOKIXOJGUYEKQG-LPHOPBHVSA-N 1 1 312.457 3.479 10 30 DGEEMO Cn1c2ccc(F)cc2[nH+]c1NCc1c(F)cc(C#N)cc1F ZINC000192756879 165305453 /nfs/dbraw/zinc/30/54/53/165305453.db2.gz IEMHKZBXECYVCK-UHFFFAOYSA-N 1 1 316.286 3.474 10 30 DGEEMO Cc1nccn1C[C@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000154590036 227099921 /nfs/dbraw/zinc/09/99/21/227099921.db2.gz CAUROGUPCPBOQS-GOSISDBHSA-N 1 1 313.832 3.361 10 30 DGEEMO Cc1nsc(N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)c1C#N ZINC000367349070 267686570 /nfs/dbraw/zinc/68/65/70/267686570.db2.gz RJFUWCPQHCEMIQ-CYBMUJFWSA-N 1 1 316.474 3.024 10 30 DGEEMO N#Cc1ccc(OCCC[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114483696 431391635 /nfs/dbraw/zinc/39/16/35/431391635.db2.gz HPZRBLGQHZHASV-GOSISDBHSA-N 1 1 310.401 3.277 10 30 DGEEMO C=CCCC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000078153598 431644154 /nfs/dbraw/zinc/64/41/54/431644154.db2.gz FPHTXBKRMCFQFN-HUUCEWRRSA-N 1 1 302.418 3.201 10 30 DGEEMO Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)[nH+]1 ZINC000119542306 431703923 /nfs/dbraw/zinc/70/39/23/431703923.db2.gz ANZQDUUFLKTHEO-INIZCTEOSA-N 1 1 324.403 3.335 10 30 DGEEMO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)n1 ZINC000119542306 431703926 /nfs/dbraw/zinc/70/39/26/431703926.db2.gz ANZQDUUFLKTHEO-INIZCTEOSA-N 1 1 324.403 3.335 10 30 DGEEMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C2(C#N)CCCC2)cc1 ZINC000080253785 431763950 /nfs/dbraw/zinc/76/39/50/431763950.db2.gz MKILGHCHZYKWMM-AWEZNQCLSA-N 1 1 322.412 3.442 10 30 DGEEMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000124776567 431904465 /nfs/dbraw/zinc/90/44/65/431904465.db2.gz AKWCBXMKPZYCDK-GDBMZVCRSA-N 1 1 317.433 3.123 10 30 DGEEMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000124776567 431904467 /nfs/dbraw/zinc/90/44/67/431904467.db2.gz AKWCBXMKPZYCDK-GDBMZVCRSA-N 1 1 317.433 3.123 10 30 DGEEMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000097477831 431969205 /nfs/dbraw/zinc/96/92/05/431969205.db2.gz IUUKLCJNDNUUDA-KBPBESRZSA-N 1 1 321.852 3.341 10 30 DGEEMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000097477831 431969207 /nfs/dbraw/zinc/96/92/07/431969207.db2.gz IUUKLCJNDNUUDA-KBPBESRZSA-N 1 1 321.852 3.341 10 30 DGEEMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC#Cc2ccccc2)C1 ZINC000191964306 432317605 /nfs/dbraw/zinc/31/76/05/432317605.db2.gz KAEJUOXVNQHKIX-PKOBYXMFSA-N 1 1 312.457 3.055 10 30 DGEEMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000191974565 432320525 /nfs/dbraw/zinc/32/05/25/432320525.db2.gz GXBPEGMMAPPGMI-PKOBYXMFSA-N 1 1 312.457 3.055 10 30 DGEEMO CCC(CC)c1cc(C[NH2+]Cc2cnc3ccc(C#N)cn23)on1 ZINC000174546465 432355190 /nfs/dbraw/zinc/35/51/90/432355190.db2.gz CFLGRYWQOOBSIW-UHFFFAOYSA-N 1 1 323.400 3.387 10 30 DGEEMO COc1ccc([C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)c2nccn2C)cc1 ZINC000248864525 432325447 /nfs/dbraw/zinc/32/54/47/432325447.db2.gz PZSYSSUYHWACTH-HFTRVMKXSA-N 1 1 324.428 3.190 10 30 DGEEMO CC#CC[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000153281719 432397428 /nfs/dbraw/zinc/39/74/28/432397428.db2.gz SXFIRGPJJZXAGC-UHFFFAOYSA-N 1 1 311.256 3.177 10 30 DGEEMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271645903 432422408 /nfs/dbraw/zinc/42/24/08/432422408.db2.gz TUUVLPXXIHFXKT-KGLIPLIRSA-N 1 1 319.405 3.059 10 30 DGEEMO C=CCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000154659105 432513411 /nfs/dbraw/zinc/51/34/11/432513411.db2.gz QITFBWXJQUFEPF-AYHJJNSGSA-N 1 1 313.445 3.009 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2nc(C)cs2)CC1 ZINC000156723285 432605656 /nfs/dbraw/zinc/60/56/56/432605656.db2.gz AIVCIWXWFRQITP-UHFFFAOYSA-N 1 1 321.490 3.056 10 30 DGEEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186218171 432570111 /nfs/dbraw/zinc/57/01/11/432570111.db2.gz RRUYXIWRXCLZGJ-GOSISDBHSA-N 1 1 308.429 3.463 10 30 DGEEMO COc1cccc([C@@H]2C[N@H+](Cc3ccc(C#N)cc3C)CCO2)c1 ZINC000186259742 432574561 /nfs/dbraw/zinc/57/45/61/432574561.db2.gz GHVNQMHVVWRVKB-FQEVSTJZSA-N 1 1 322.408 3.449 10 30 DGEEMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(C#N)cc3C)CCO2)c1 ZINC000186259742 432574563 /nfs/dbraw/zinc/57/45/63/432574563.db2.gz GHVNQMHVVWRVKB-FQEVSTJZSA-N 1 1 322.408 3.449 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000274296275 432649079 /nfs/dbraw/zinc/64/90/79/432649079.db2.gz DDWQSURHOXZJBU-LBPRGKRZSA-N 1 1 307.463 3.450 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000274296275 432649081 /nfs/dbraw/zinc/64/90/81/432649081.db2.gz DDWQSURHOXZJBU-LBPRGKRZSA-N 1 1 307.463 3.450 10 30 DGEEMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC000187954515 432695498 /nfs/dbraw/zinc/69/54/98/432695498.db2.gz WNPSRYVUCMTSRV-HNAYVOBHSA-N 1 1 300.446 3.471 10 30 DGEEMO CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C#N)c2C)[C@H](C)C1 ZINC000178549897 432751012 /nfs/dbraw/zinc/75/10/12/432751012.db2.gz IGTIPYLAYHPDJA-CXAGYDPISA-N 1 1 314.433 3.061 10 30 DGEEMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc(C#N)o1 ZINC000267265387 432827506 /nfs/dbraw/zinc/82/75/06/432827506.db2.gz LDPSZFNYVUXFAX-DNVCBOLYSA-N 1 1 309.413 3.151 10 30 DGEEMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000245941174 432871209 /nfs/dbraw/zinc/87/12/09/432871209.db2.gz AUMOUFDVQMYKIF-WMLDXEAASA-N 1 1 321.428 3.425 10 30 DGEEMO C=CCOc1cccc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@@H]2C)c1 ZINC000245690781 432856466 /nfs/dbraw/zinc/85/64/66/432856466.db2.gz BITLJLZNDAOOTR-QFBILLFUSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1cccc(C[N@H+](C)[C@@H]2CCN(CC)C[C@@H]2C)c1 ZINC000245690781 432856467 /nfs/dbraw/zinc/85/64/67/432856467.db2.gz BITLJLZNDAOOTR-QFBILLFUSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1cccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000245690781 432856470 /nfs/dbraw/zinc/85/64/70/432856470.db2.gz BITLJLZNDAOOTR-QFBILLFUSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1cccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000245690781 432856472 /nfs/dbraw/zinc/85/64/72/432856472.db2.gz BITLJLZNDAOOTR-QFBILLFUSA-N 1 1 302.462 3.414 10 30 DGEEMO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245700051 432857189 /nfs/dbraw/zinc/85/71/89/432857189.db2.gz CXNAKRDECKAQOZ-CRAIPNDOSA-N 1 1 324.428 3.147 10 30 DGEEMO C=CCOc1cccc(C[N@@H+]2CC=C(c3ccnn3C)CC2)c1 ZINC000289372002 432951434 /nfs/dbraw/zinc/95/14/34/432951434.db2.gz LORMJRWMVOYASD-UHFFFAOYSA-N 1 1 309.413 3.274 10 30 DGEEMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000446711497 433084489 /nfs/dbraw/zinc/08/44/89/433084489.db2.gz MRJDKPJYXMTJMQ-YLJYHZDGSA-N 1 1 312.457 3.239 10 30 DGEEMO Cc1sc(NC(=O)C[N@@H+]2CCCC23CCC3)c(C#N)c1C ZINC000373094377 433090436 /nfs/dbraw/zinc/09/04/36/433090436.db2.gz HVGMLPDQKPHWEJ-UHFFFAOYSA-N 1 1 303.431 3.194 10 30 DGEEMO Cc1sc(NC(=O)C[N@H+]2CCCC23CCC3)c(C#N)c1C ZINC000373094377 433090443 /nfs/dbraw/zinc/09/04/43/433090443.db2.gz HVGMLPDQKPHWEJ-UHFFFAOYSA-N 1 1 303.431 3.194 10 30 DGEEMO N#Cc1cnc(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000290596231 433110518 /nfs/dbraw/zinc/11/05/18/433110518.db2.gz BPOBHCPNEARQSM-KRWDZBQOSA-N 1 1 321.428 3.062 10 30 DGEEMO CN(c1cccc(F)c1C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336658690 433175448 /nfs/dbraw/zinc/17/54/48/433175448.db2.gz SCQRMWOWVPLUDY-MRXNPFEDSA-N 1 1 309.388 3.408 10 30 DGEEMO C=CCCCNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000448031744 433354704 /nfs/dbraw/zinc/35/47/04/433354704.db2.gz RVJATJHLMSUIHN-DLBZAZTESA-N 1 1 315.461 3.257 10 30 DGEEMO C[C@@H](NC[C@H]1[N@H+](C)CCCC1(C)C)c1ccc(C#N)cc1F ZINC000448036287 433356882 /nfs/dbraw/zinc/35/68/82/433356882.db2.gz XDXWOCVZDPGCBY-CXAGYDPISA-N 1 1 303.425 3.468 10 30 DGEEMO C[C@@H](NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccc(C#N)cc1F ZINC000448036287 433356891 /nfs/dbraw/zinc/35/68/91/433356891.db2.gz XDXWOCVZDPGCBY-CXAGYDPISA-N 1 1 303.425 3.468 10 30 DGEEMO C=CCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000447989645 433342291 /nfs/dbraw/zinc/34/22/91/433342291.db2.gz ITLDPZICBLQWBQ-HZPDHXFCSA-N 1 1 321.852 3.351 10 30 DGEEMO C=CCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000447989645 433342296 /nfs/dbraw/zinc/34/22/96/433342296.db2.gz ITLDPZICBLQWBQ-HZPDHXFCSA-N 1 1 321.852 3.351 10 30 DGEEMO C=C[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000425982954 433393709 /nfs/dbraw/zinc/39/37/09/433393709.db2.gz YVNMDYISZVDORE-SQNIBIBYSA-N 1 1 313.445 3.182 10 30 DGEEMO C=CCCOCCCCC(=O)N1CCC(n2c[nH+]cc2C)CC1 ZINC000356286769 433569633 /nfs/dbraw/zinc/56/96/33/433569633.db2.gz YIBSOPUQEGLNKN-UHFFFAOYSA-N 1 1 319.449 3.118 10 30 DGEEMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1nccs1 ZINC000161167157 292830247 /nfs/dbraw/zinc/83/02/47/292830247.db2.gz IPIYOTDKTMVNIL-SMDDNHRTSA-N 1 1 314.414 3.083 10 30 DGEEMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000362143847 433546791 /nfs/dbraw/zinc/54/67/91/433546791.db2.gz YLDPINDFUXVABP-MSOLQXFVSA-N 1 1 316.420 3.456 10 30 DGEEMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000362143847 433546806 /nfs/dbraw/zinc/54/68/06/433546806.db2.gz YLDPINDFUXVABP-MSOLQXFVSA-N 1 1 316.420 3.456 10 30 DGEEMO Cc1cc(C#N)cc(N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000342352940 433632642 /nfs/dbraw/zinc/63/26/42/433632642.db2.gz VFXPZEBLLWRMCU-KRWDZBQOSA-N 1 1 320.440 3.363 10 30 DGEEMO N#Cc1cnccc1N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000376197255 433689933 /nfs/dbraw/zinc/68/99/33/433689933.db2.gz JSTUQQKWHDBXPA-HXUWFJFHSA-N 1 1 318.424 3.056 10 30 DGEEMO C[C@@H]1C[N@H+](Cc2cccc(Nc3cccc(C#N)n3)c2)C[C@H](C)O1 ZINC000301867660 433767232 /nfs/dbraw/zinc/76/72/32/433767232.db2.gz VUVIOSNGVLAIMA-GASCZTMLSA-N 1 1 322.412 3.306 10 30 DGEEMO C[N@H+]1CC[C@@H](Nc2ccc(C#N)cn2)[C@H]1c1ccc(Cl)cc1 ZINC000301872979 433770807 /nfs/dbraw/zinc/77/08/07/433770807.db2.gz KYCUJCGSHAPASR-NVXWUHKLSA-N 1 1 312.804 3.464 10 30 DGEEMO Cc1[nH+]ccn1-c1ccc(CNc2cc(C)nc(C)c2C#N)cn1 ZINC000301787793 433723842 /nfs/dbraw/zinc/72/38/42/433723842.db2.gz PNZNVHFKBQZOPS-UHFFFAOYSA-N 1 1 318.384 3.071 10 30 DGEEMO CC#CC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000283825603 433783058 /nfs/dbraw/zinc/78/30/58/433783058.db2.gz UFKUYWPQTUZHHZ-NVXWUHKLSA-N 1 1 322.811 3.142 10 30 DGEEMO CC#CC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000283825603 433783062 /nfs/dbraw/zinc/78/30/62/433783062.db2.gz UFKUYWPQTUZHHZ-NVXWUHKLSA-N 1 1 322.811 3.142 10 30 DGEEMO Cc1ccc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)nc1C#N ZINC000302597483 433827963 /nfs/dbraw/zinc/82/79/63/433827963.db2.gz BMZWOAOXFXXIHE-SJORKVTESA-N 1 1 312.461 3.353 10 30 DGEEMO Cc1ccc(N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)nc1C#N ZINC000302612432 433828225 /nfs/dbraw/zinc/82/82/25/433828225.db2.gz FECJBXMAWCIKGV-UHFFFAOYSA-N 1 1 320.440 3.363 10 30 DGEEMO CC(C)NC(=O)CC[N@@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000328625596 434292197 /nfs/dbraw/zinc/29/21/97/434292197.db2.gz DHSRNDZCKBAOLW-OAHLLOKOSA-N 1 1 304.438 3.180 10 30 DGEEMO CC(C)NC(=O)CC[N@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000328625596 434292209 /nfs/dbraw/zinc/29/22/09/434292209.db2.gz DHSRNDZCKBAOLW-OAHLLOKOSA-N 1 1 304.438 3.180 10 30 DGEEMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1CCCCC#N ZINC000365276979 434294896 /nfs/dbraw/zinc/29/48/96/434294896.db2.gz SGKNYZZDUZNOQX-IBGZPJMESA-N 1 1 314.429 3.321 10 30 DGEEMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1CCCCC#N ZINC000365276984 434295540 /nfs/dbraw/zinc/29/55/40/434295540.db2.gz SGKNYZZDUZNOQX-LJQANCHMSA-N 1 1 314.429 3.321 10 30 DGEEMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328840185 434317654 /nfs/dbraw/zinc/31/76/54/434317654.db2.gz UMHUYJGJWLUQOM-KBPBESRZSA-N 1 1 309.454 3.353 10 30 DGEEMO CC[N@H+]1CCC[C@H](NC(=O)c2ccc(OC3CCCC3)nc2)C1 ZINC000329285606 434387491 /nfs/dbraw/zinc/38/74/91/434387491.db2.gz GONHYAUDZDGXHR-HNNXBMFYSA-N 1 1 317.433 3.192 10 30 DGEEMO CC(=O)N[C@H](CC1CCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000329891639 434501051 /nfs/dbraw/zinc/50/10/51/434501051.db2.gz IDRSUZYCGMLJIX-NPYXIHBLSA-N 1 1 321.465 3.493 10 30 DGEEMO C=CCCC[C@H](C)[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000451426976 434569758 /nfs/dbraw/zinc/56/97/58/434569758.db2.gz ZIEZMWMEJPLXIC-FUHWJXTLSA-N 1 1 317.477 3.361 10 30 DGEEMO C=CCN1CC[C@H]([N@H+](C)[C@@H](c2ccccc2C)C(C)C)C1=O ZINC000410394066 434643935 /nfs/dbraw/zinc/64/39/35/434643935.db2.gz TZPPBDMUKKUOPA-ZWKOTPCHSA-N 1 1 300.446 3.411 10 30 DGEEMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cnn(CC)n2)cc1 ZINC000527921581 435017195 /nfs/dbraw/zinc/01/71/95/435017195.db2.gz ODZXYCNOQBWEKF-CYBMUJFWSA-N 1 1 320.824 3.280 10 30 DGEEMO C=CCN(Cc1ccc(Cl)s1)C(=O)Cn1c[nH+]cc1C ZINC000527693522 435012733 /nfs/dbraw/zinc/01/27/33/435012733.db2.gz RAXIJXVESHKZTN-UHFFFAOYSA-N 1 1 309.822 3.121 10 30 DGEEMO C=CCCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000466782254 435093051 /nfs/dbraw/zinc/09/30/51/435093051.db2.gz JGKSDYHHUVZFMF-JKSUJKDBSA-N 1 1 321.852 3.303 10 30 DGEEMO C=CCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000466782254 435093055 /nfs/dbraw/zinc/09/30/55/435093055.db2.gz JGKSDYHHUVZFMF-JKSUJKDBSA-N 1 1 321.852 3.303 10 30 DGEEMO C=CCCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000466782252 435093510 /nfs/dbraw/zinc/09/35/10/435093510.db2.gz JGKSDYHHUVZFMF-HOTGVXAUSA-N 1 1 321.852 3.303 10 30 DGEEMO C=CCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000466782252 435093513 /nfs/dbraw/zinc/09/35/13/435093513.db2.gz JGKSDYHHUVZFMF-HOTGVXAUSA-N 1 1 321.852 3.303 10 30 DGEEMO C=CCCc1ccccc1NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000558638015 435101025 /nfs/dbraw/zinc/10/10/25/435101025.db2.gz DMDQWGFYJQZVME-OAHLLOKOSA-N 1 1 301.434 3.269 10 30 DGEEMO C=CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)c1 ZINC000467372958 435118784 /nfs/dbraw/zinc/11/87/84/435118784.db2.gz HSVCTODTFPXBIN-SZMVWBNQSA-N 1 1 315.413 3.025 10 30 DGEEMO C=CCOc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)c1 ZINC000467372958 435118789 /nfs/dbraw/zinc/11/87/89/435118789.db2.gz HSVCTODTFPXBIN-SZMVWBNQSA-N 1 1 315.413 3.025 10 30 DGEEMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)COc1ccc(C)cc1 ZINC000537613874 435454271 /nfs/dbraw/zinc/45/42/71/435454271.db2.gz PCFCRKDIXRUDQD-QGZVFWFLSA-N 1 1 315.413 3.058 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000537693338 435463687 /nfs/dbraw/zinc/46/36/87/435463687.db2.gz URAVPXLPHXPERO-ZWKOTPCHSA-N 1 1 301.430 3.500 10 30 DGEEMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)CCC(C)C ZINC000482689979 435479695 /nfs/dbraw/zinc/47/96/95/435479695.db2.gz NZMKKDGWWRLICJ-QGZVFWFLSA-N 1 1 306.406 3.380 10 30 DGEEMO C=CCC1(CNC(=O)Cn2c[nH+]c3c2CCCC3)CCCC1 ZINC000560466902 332342450 /nfs/dbraw/zinc/34/24/50/332342450.db2.gz BWMPJNYSHZCCLZ-UHFFFAOYSA-N 1 1 301.434 3.015 10 30 DGEEMO FC(F)C(F)(F)COCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000188571888 333375725 /nfs/dbraw/zinc/37/57/25/333375725.db2.gz VFWHVGXEFDDMNJ-QMMMGPOBSA-N 1 1 311.241 3.178 10 30 DGEEMO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000185064188 337202696 /nfs/dbraw/zinc/20/26/96/337202696.db2.gz KNWAAIJFZNLFTI-HZPDHXFCSA-N 1 1 300.446 3.152 10 30 DGEEMO C=CCOc1cccc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000544609300 341088691 /nfs/dbraw/zinc/08/86/91/341088691.db2.gz KKSDGVWKULAIAH-ROUUACIJSA-N 1 1 303.446 3.480 10 30 DGEEMO CCC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000156677147 521366736 /nfs/dbraw/zinc/36/67/36/521366736.db2.gz KYFUJOHUXOTOFS-CYBMUJFWSA-N 1 1 305.447 3.459 10 30 DGEEMO C=CC[N@@H+](Cc1cc(Br)ccc1F)CC(C)(C)O ZINC000181554432 526332035 /nfs/dbraw/zinc/33/20/35/526332035.db2.gz CVROWJCHMSRDOI-UHFFFAOYSA-N 1 1 316.214 3.347 10 30 DGEEMO C#CCC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000185522621 526665316 /nfs/dbraw/zinc/66/53/16/526665316.db2.gz BBBAYKCGGFUOAI-YQQQUEKLSA-N 1 1 324.468 3.348 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000185093529 526710475 /nfs/dbraw/zinc/71/04/75/526710475.db2.gz PNIANSCLRWQTEY-UONOGXRCSA-N 1 1 306.475 3.213 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000185093529 526710481 /nfs/dbraw/zinc/71/04/81/526710481.db2.gz PNIANSCLRWQTEY-UONOGXRCSA-N 1 1 306.475 3.213 10 30 DGEEMO C=C(C)Cn1c([C@H](C)CC)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000338810138 526737778 /nfs/dbraw/zinc/73/77/78/526737778.db2.gz YBUFUHWCFAGHDX-HZPDHXFCSA-N 1 1 317.481 3.042 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](CCOC)Cc2cccnc2)cc1 ZINC000348997604 526862990 /nfs/dbraw/zinc/86/29/90/526862990.db2.gz BXHGNSZABHKRQF-UHFFFAOYSA-N 1 1 312.413 3.295 10 30 DGEEMO C=CCOc1ccc(C[N@H+](CCOC)Cc2cccnc2)cc1 ZINC000348997604 526862996 /nfs/dbraw/zinc/86/29/96/526862996.db2.gz BXHGNSZABHKRQF-UHFFFAOYSA-N 1 1 312.413 3.295 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](CCOC)Cc2ccccn2)cc1 ZINC000349061754 526863790 /nfs/dbraw/zinc/86/37/90/526863790.db2.gz JUUQSOCVSLCZGP-UHFFFAOYSA-N 1 1 312.413 3.295 10 30 DGEEMO C=CCOc1ccc(C[N@H+](CCOC)Cc2ccccn2)cc1 ZINC000349061754 526863795 /nfs/dbraw/zinc/86/37/95/526863795.db2.gz JUUQSOCVSLCZGP-UHFFFAOYSA-N 1 1 312.413 3.295 10 30 DGEEMO C=CCOc1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415038509 526865860 /nfs/dbraw/zinc/86/58/60/526865860.db2.gz HVXNTYLCAIMRLS-IEBWSBKVSA-N 1 1 300.446 3.215 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1OC ZINC000355135135 526867956 /nfs/dbraw/zinc/86/79/56/526867956.db2.gz NTOUANOYMZWDHU-DLBZAZTESA-N 1 1 317.429 3.261 10 30 DGEEMO C=CCc1cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc(OC)c1O ZINC000355116068 527237647 /nfs/dbraw/zinc/23/76/47/527237647.db2.gz SAGQTJPLABYPIH-IRXDYDNUSA-N 1 1 317.429 3.130 10 30 DGEEMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)cc1 ZINC000093863688 545857950 /nfs/dbraw/zinc/85/79/50/545857950.db2.gz GUQVRSSPKNPMAO-GOSISDBHSA-N 1 1 311.429 3.494 10 30 DGEEMO C=CCc1cc(C[N@H+]2CCCCC[C@H]2CCO)cc(OC)c1O ZINC000342825462 546560563 /nfs/dbraw/zinc/56/05/63/546560563.db2.gz SAIWTSHYXMPECH-KRWDZBQOSA-N 1 1 319.445 3.256 10 30 DGEEMO COCC[N@H+](Cc1cc(Cl)ccc1OCC#N)CC(C)C ZINC000735308937 574696591 /nfs/dbraw/zinc/69/65/91/574696591.db2.gz YZUQCVKYFHVNSU-UHFFFAOYSA-N 1 1 310.825 3.347 10 30 DGEEMO CCC[N@@H+](Cc1cc(Cl)ccc1OCC#N)CC(C)(C)O ZINC000741805436 574972141 /nfs/dbraw/zinc/97/21/41/574972141.db2.gz OILAPXQPVRNSJB-UHFFFAOYSA-N 1 1 310.825 3.225 10 30 DGEEMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000176201462 655744064 /nfs/dbraw/zinc/74/40/64/655744064.db2.gz SZZICIKNFQRVSH-HDICACEKSA-N 1 1 321.428 3.205 10 30 DGEEMO CC1(C)CN(Cc2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000721597792 655861953 /nfs/dbraw/zinc/86/19/53/655861953.db2.gz OUHBVHWVZHIUCP-UHFFFAOYSA-N 1 1 320.440 3.050 10 30 DGEEMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(-n2cncn2)cc1 ZINC000181909817 656511425 /nfs/dbraw/zinc/51/14/25/656511425.db2.gz AIPJYFCZZPTREQ-ZDUSSCGKSA-N 1 1 321.359 3.129 10 30 DGEEMO C=CCOCCCC(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000183184908 657377320 /nfs/dbraw/zinc/37/73/20/657377320.db2.gz CAEFKODQJVOWSL-SFHVURJKSA-N 1 1 317.429 3.177 10 30 DGEEMO C[C@@H](NC(C)(C)CNC(=[NH2+])NC1CCCCC1)c1ccccc1 ZINC000304763680 657650092 /nfs/dbraw/zinc/65/00/92/657650092.db2.gz XCVLTGBGANNVLH-OAHLLOKOSA-N 1 1 316.493 3.353 10 30 DGEEMO [NH2+]=C(NCc1ccc2cncn2c1)Nc1cccc2c1CCCC2 ZINC000263182283 658168897 /nfs/dbraw/zinc/16/88/97/658168897.db2.gz UKCLSJGOIGLTGR-UHFFFAOYSA-N 1 1 319.412 3.140 10 30 DGEEMO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1O ZINC000164142386 658919238 /nfs/dbraw/zinc/91/92/38/658919238.db2.gz SKYAFYIUVSTMBB-ZWKOTPCHSA-N 1 1 317.429 3.273 10 30 DGEEMO C=CCc1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c(O)c(OC)c1 ZINC000247143015 662302366 /nfs/dbraw/zinc/30/23/66/662302366.db2.gz XFAOGNTWANQAOQ-SJORKVTESA-N 1 1 317.429 3.273 10 30 DGEEMO C#CCOc1ccccc1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000092812760 662336092 /nfs/dbraw/zinc/33/60/92/662336092.db2.gz PJRCTNLSHMJKBH-KRWDZBQOSA-N 1 1 321.424 3.028 10 30 DGEEMO CCC[N@H+]1CC[C@H](Nc2cc(Br)ccc2C#N)C1 ZINC000328454662 1176640512 /nfs/dbraw/zinc/64/05/12/1176640512.db2.gz FAEFDVNHLNDPEP-ZDUSSCGKSA-N 1 1 308.223 3.217 10 30 DGEEMO C[N@H+]1CCC[C@@H](CNc2cc(Br)ccc2C#N)C1 ZINC000123210646 1200275990 /nfs/dbraw/zinc/27/59/90/1200275990.db2.gz SYLHSAPGEAVGLN-NSHDSACASA-N 1 1 308.223 3.074 10 30 DGEEMO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC000103474003 432010111 /nfs/dbraw/zinc/01/01/11/432010111.db2.gz GZRFAJFAWBEDTK-INIZCTEOSA-N 1 1 324.403 3.335 10 30 DGEEMO Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)n1 ZINC000103474003 432010113 /nfs/dbraw/zinc/01/01/13/432010113.db2.gz GZRFAJFAWBEDTK-INIZCTEOSA-N 1 1 324.403 3.335 10 30 DGEEMO Cn1nccc1C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000186913059 200030557 /nfs/dbraw/zinc/03/05/57/200030557.db2.gz KXIBQOJZKBBAPF-UHFFFAOYSA-N 1 1 314.820 3.325 10 30 DGEEMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)ccc1F ZINC000281398188 216272280 /nfs/dbraw/zinc/27/22/80/216272280.db2.gz NHPQDODYGXHJOU-CGTJXYLNSA-N 1 1 302.393 3.213 10 30 DGEEMO C=C(C)COc1cc(C[NH2+]Cc2cnc(CC)o2)ccc1OC ZINC000449609774 240317337 /nfs/dbraw/zinc/31/73/37/240317337.db2.gz OGLYTZLSVJQRNN-UHFFFAOYSA-N 1 1 316.401 3.490 10 30 DGEEMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](C)c1cccc(O)c1 ZINC000091974999 193134803 /nfs/dbraw/zinc/13/48/03/193134803.db2.gz YWSJFQHSKSCSBH-AWEZNQCLSA-N 1 1 320.396 3.495 10 30 DGEEMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000246277200 432115310 /nfs/dbraw/zinc/11/53/10/432115310.db2.gz BVEWEJTYOCITCL-WBVHZDCISA-N 1 1 306.413 3.448 10 30 DGEEMO N#Cc1ccc(CN2CCC[N@@H+](CC3CCCCC3)CC2)o1 ZINC000092187310 193172100 /nfs/dbraw/zinc/17/21/00/193172100.db2.gz BIIBCFSVLFNSKH-UHFFFAOYSA-N 1 1 301.434 3.239 10 30 DGEEMO C/C(=C/c1ccccc1)C[NH+]1CCN(c2ncccc2C#N)CC1 ZINC000122942754 284229372 /nfs/dbraw/zinc/22/93/72/284229372.db2.gz GEYWVKQQHQVGTJ-VKAVYKQESA-N 1 1 318.424 3.179 10 30 DGEEMO CCc1[nH+]ccn1[C@H]1CCCN(Cc2ccc(F)cc2C#N)C1 ZINC000105897967 194162279 /nfs/dbraw/zinc/16/22/79/194162279.db2.gz QJOULDPTNRPTRB-KRWDZBQOSA-N 1 1 312.392 3.293 10 30 DGEEMO COc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)cc1Br ZINC000061892125 184192876 /nfs/dbraw/zinc/19/28/76/184192876.db2.gz VYZMJHFZOTZLJO-AAEUAGOBSA-N 1 1 309.207 3.240 10 30 DGEEMO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1Br ZINC000061892122 184192993 /nfs/dbraw/zinc/19/29/93/184192993.db2.gz VYZMJHFZOTZLJO-DGCLKSJQSA-N 1 1 309.207 3.240 10 30 DGEEMO CO[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)CC[C@@H]1C ZINC000249007251 285045394 /nfs/dbraw/zinc/04/53/94/285045394.db2.gz JEOOTPBIUNTGOG-XHDPSFHLSA-N 1 1 323.234 3.178 10 30 DGEEMO CO[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)CC[C@@H]1C ZINC000249007251 285045397 /nfs/dbraw/zinc/04/53/97/285045397.db2.gz JEOOTPBIUNTGOG-XHDPSFHLSA-N 1 1 323.234 3.178 10 30 DGEEMO CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000120043077 195086860 /nfs/dbraw/zinc/08/68/60/195086860.db2.gz JKAREFQJAXLUDA-HNNXBMFYSA-N 1 1 307.397 3.407 10 30 DGEEMO C[C@]1(CNc2cc(C#N)ccn2)CCC[N@H+]1Cc1ccccc1 ZINC000343026289 254088485 /nfs/dbraw/zinc/08/84/85/254088485.db2.gz NCJNSHHFCOVBOP-LJQANCHMSA-N 1 1 306.413 3.420 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H]1C(=O)N(CC)CC ZINC000092510201 400178210 /nfs/dbraw/zinc/17/82/10/400178210.db2.gz NUHDCDKUABSZCV-KRWDZBQOSA-N 1 1 316.445 3.084 10 30 DGEEMO N#Cc1ncccc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000310258772 400133219 /nfs/dbraw/zinc/13/32/19/400133219.db2.gz PYWJMASMGWODBF-FGTMMUONSA-N 1 1 318.424 3.276 10 30 DGEEMO C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000585754715 400138360 /nfs/dbraw/zinc/13/83/60/400138360.db2.gz WVRINGSMJIMJRR-SFHVURJKSA-N 1 1 324.424 3.165 10 30 DGEEMO Cn1cc[nH+]c1C[C@H](Nc1cccc(C#N)n1)c1ccccc1 ZINC000610282353 400234835 /nfs/dbraw/zinc/23/48/35/400234835.db2.gz NRCNRWLJMOPDTL-INIZCTEOSA-N 1 1 303.369 3.083 10 30 DGEEMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000617043990 400292138 /nfs/dbraw/zinc/29/21/38/400292138.db2.gz HMCMVMYIJAWFLD-PBHICJAKSA-N 1 1 310.401 3.132 10 30 DGEEMO C=C(C)COc1cccc(NC(=O)NC[C@@H]2CC[N@H+](CC)C2)c1 ZINC000589739273 400325087 /nfs/dbraw/zinc/32/50/87/400325087.db2.gz MLDKEUJLLGDBOS-HNNXBMFYSA-N 1 1 317.433 3.105 10 30 DGEEMO C=C(C)C[C@H]([NH2+][C@H]1CCC[C@H](c2cccnc2)C1)C(=O)OC ZINC000602735319 400558697 /nfs/dbraw/zinc/55/86/97/400558697.db2.gz UTYXXOWWROHXDH-XIRDDKMYSA-N 1 1 302.418 3.205 10 30 DGEEMO C=CCCC[N@H+](C)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000077176952 400692262 /nfs/dbraw/zinc/69/22/62/400692262.db2.gz VDBVVJFFLWOXSJ-PKOBYXMFSA-N 1 1 303.446 3.340 10 30 DGEEMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000620304007 401050788 /nfs/dbraw/zinc/05/07/88/401050788.db2.gz MTDJQAYICZESDA-FGTMMUONSA-N 1 1 302.462 3.493 10 30 DGEEMO C=CC[C@H]1CC[N@H+](C[C@H](O)COCc2ccccc2Cl)C1 ZINC000625701751 401186407 /nfs/dbraw/zinc/18/64/07/401186407.db2.gz CPBPGOVIFVKMAX-HOCLYGCPSA-N 1 1 309.837 3.116 10 30 DGEEMO C=CC[C@@H]1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000623494155 401531762 /nfs/dbraw/zinc/53/17/62/401531762.db2.gz DMNAVERQGGIQIB-HZPDHXFCSA-N 1 1 307.482 3.105 10 30 DGEEMO CC[N@@H+](CCNc1ccc(C#N)cc1Br)C1CC1 ZINC000230343731 165396647 /nfs/dbraw/zinc/39/66/47/165396647.db2.gz LIMGDQBSDSEGIO-UHFFFAOYSA-N 1 1 308.223 3.217 10 30 DGEEMO CC[N@H+]1CCC[C@@H]1CN(C)c1ccc(Br)cc1C#N ZINC000130462709 196084360 /nfs/dbraw/zinc/08/43/60/196084360.db2.gz STDCDERKFLARKP-CQSZACIVSA-N 1 1 322.250 3.241 10 30 DGEEMO C[C@H](NCC[N@@H+]1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000181506941 228362788 /nfs/dbraw/zinc/36/27/88/228362788.db2.gz FERZLMIDNNXEHS-HOTGVXAUSA-N 1 1 301.434 3.114 10 30 DGEEMO C[C@H](NCC[N@H+]1CCCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000181506941 228362790 /nfs/dbraw/zinc/36/27/90/228362790.db2.gz FERZLMIDNNXEHS-HOTGVXAUSA-N 1 1 301.434 3.114 10 30 DGEEMO C[C@]1(CNc2cccc(C#N)n2)CCC[N@H+]1Cc1ccccc1 ZINC000302370939 230228148 /nfs/dbraw/zinc/22/81/48/230228148.db2.gz FDSCETCBCDKREM-LJQANCHMSA-N 1 1 306.413 3.420 10 30 DGEEMO Cc1cccc(N2CCC(Nc3ccc(C)c(C#N)n3)CC2)[nH+]1 ZINC000302681795 230347319 /nfs/dbraw/zinc/34/73/19/230347319.db2.gz XEOWPFLELRCCKA-UHFFFAOYSA-N 1 1 307.401 3.046 10 30 DGEEMO C=C1CC[NH+]([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000341999074 275420832 /nfs/dbraw/zinc/42/08/32/275420832.db2.gz WSRWUNGHWQPAIY-QGZVFWFLSA-N 1 1 300.446 3.464 10 30 DGEEMO N#Cc1nc(NC[C@@H]2CCCn3cc[nH+]c32)ccc1C(F)(F)F ZINC000619697086 430597321 /nfs/dbraw/zinc/59/73/21/430597321.db2.gz BYMYCBUEKKCBKY-JTQLQIEISA-N 1 1 321.306 3.158 10 30 DGEEMO CCc1[nH+]ccn1[C@@H]1CCCN(c2ncc(C#N)cc2Cl)C1 ZINC000114709724 431408010 /nfs/dbraw/zinc/40/80/10/431408010.db2.gz CVMMRDIYLWBGNL-CYBMUJFWSA-N 1 1 315.808 3.207 10 30 DGEEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000122811320 431845431 /nfs/dbraw/zinc/84/54/31/431845431.db2.gz XBOWNIMRSVWFKB-HNNXBMFYSA-N 1 1 300.431 3.307 10 30 DGEEMO C=CCCCN(C)C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000125174037 431916339 /nfs/dbraw/zinc/91/63/39/431916339.db2.gz UDBYARNTDADQPK-CQSZACIVSA-N 1 1 321.490 3.102 10 30 DGEEMO C=CCCCN(C)C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000125174037 431916342 /nfs/dbraw/zinc/91/63/42/431916342.db2.gz UDBYARNTDADQPK-CQSZACIVSA-N 1 1 321.490 3.102 10 30 DGEEMO C=C[C@H](CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccccc1 ZINC000126460451 431950414 /nfs/dbraw/zinc/95/04/14/431950414.db2.gz MRVUILWTQLCPQT-NUJGCVRESA-N 1 1 300.446 3.191 10 30 DGEEMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248644282 432310556 /nfs/dbraw/zinc/31/05/56/432310556.db2.gz ZNNHHAPXAPVZDG-XYJFISCASA-N 1 1 300.446 3.225 10 30 DGEEMO CO[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC[C@H]1C ZINC000251944473 432373691 /nfs/dbraw/zinc/37/36/91/432373691.db2.gz UXGDBOMZDFKNET-CZUORRHYSA-N 1 1 311.347 3.414 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261632634 432437173 /nfs/dbraw/zinc/43/71/73/432437173.db2.gz FODSVDUQLMSRAN-CTNGQTDRSA-N 1 1 322.452 3.426 10 30 DGEEMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC1(CO)CC1 ZINC000186813264 432631904 /nfs/dbraw/zinc/63/19/04/432631904.db2.gz SYMICAJAEONLEH-UHFFFAOYSA-N 1 1 306.409 3.430 10 30 DGEEMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC000187954543 432694875 /nfs/dbraw/zinc/69/48/75/432694875.db2.gz WNPSRYVUCMTSRV-BEFAXECRSA-N 1 1 300.446 3.471 10 30 DGEEMO C=CCC[C@H](C(=O)N1CCC[N@H+](C2CC2)CC1)c1ccccc1 ZINC000188813980 432747254 /nfs/dbraw/zinc/74/72/54/432747254.db2.gz YVVCBSMPCJRTBQ-IBGZPJMESA-N 1 1 312.457 3.433 10 30 DGEEMO C#CCC(CC#C)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000288408612 432891715 /nfs/dbraw/zinc/89/17/15/432891715.db2.gz ZVDROJHZBWUEKK-UHFFFAOYSA-N 1 1 302.805 3.003 10 30 DGEEMO Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@]1(C#N)CCC[C@@H](C)C1)C2 ZINC000330122677 432893922 /nfs/dbraw/zinc/89/39/22/432893922.db2.gz HJFGOFUTOWLGFW-HACGYAERSA-N 1 1 300.406 3.183 10 30 DGEEMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000245568734 432846839 /nfs/dbraw/zinc/84/68/39/432846839.db2.gz VPMAEYIUDHOQNN-CVEARBPZSA-N 1 1 301.434 3.238 10 30 DGEEMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C#N)c2C)[C@@H](C)C1 ZINC000245677310 432855057 /nfs/dbraw/zinc/85/50/57/432855057.db2.gz IGTIPYLAYHPDJA-GUYCJALGSA-N 1 1 314.433 3.061 10 30 DGEEMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000245694937 432857068 /nfs/dbraw/zinc/85/70/68/432857068.db2.gz CDNHPFREVVLPPQ-HNAYVOBHSA-N 1 1 323.396 3.026 10 30 DGEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(OCCCC#N)c1 ZINC000245719156 432858356 /nfs/dbraw/zinc/85/83/56/432858356.db2.gz HPIRVRHFFHETRI-AEFFLSMTSA-N 1 1 313.445 3.038 10 30 DGEEMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000298331890 433096329 /nfs/dbraw/zinc/09/63/29/433096329.db2.gz ZIGJBIVPDPETQC-DYVFJYSZSA-N 1 1 321.852 3.387 10 30 DGEEMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000298331890 433096339 /nfs/dbraw/zinc/09/63/39/433096339.db2.gz ZIGJBIVPDPETQC-DYVFJYSZSA-N 1 1 321.852 3.387 10 30 DGEEMO C[C@@H](NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ccc(C#N)cc1F ZINC000448036288 433353736 /nfs/dbraw/zinc/35/37/36/433353736.db2.gz XDXWOCVZDPGCBY-DYVFJYSZSA-N 1 1 303.425 3.468 10 30 DGEEMO C[C@@H](NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccc(C#N)cc1F ZINC000448036288 433353743 /nfs/dbraw/zinc/35/37/43/433353743.db2.gz XDXWOCVZDPGCBY-DYVFJYSZSA-N 1 1 303.425 3.468 10 30 DGEEMO C=CCCCNC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000448000939 433340900 /nfs/dbraw/zinc/34/09/00/433340900.db2.gz RPYDCEWDBMFINZ-SFHVURJKSA-N 1 1 315.461 3.162 10 30 DGEEMO C=CCCCNC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000448254258 433379658 /nfs/dbraw/zinc/37/96/58/433379658.db2.gz CMZJVVNNRUJNEP-GOSISDBHSA-N 1 1 315.461 3.259 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1OC ZINC000375301796 433418070 /nfs/dbraw/zinc/41/80/70/433418070.db2.gz HZTDRHDOMWOJTD-LJQANCHMSA-N 1 1 317.429 3.263 10 30 DGEEMO C=CCc1cc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cc(OC)c1O ZINC000414467436 433633811 /nfs/dbraw/zinc/63/38/11/433633811.db2.gz BDXQXNZKIRGRDK-GOSISDBHSA-N 1 1 317.429 3.130 10 30 DGEEMO C=CCc1cc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cc(OC)c1O ZINC000414467436 433633819 /nfs/dbraw/zinc/63/38/19/433633819.db2.gz BDXQXNZKIRGRDK-GOSISDBHSA-N 1 1 317.429 3.130 10 30 DGEEMO C=CCSc1ccccc1C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000362388442 433682022 /nfs/dbraw/zinc/68/20/22/433682022.db2.gz HDDBXMADUPZEDN-AWEZNQCLSA-N 1 1 304.459 3.036 10 30 DGEEMO Cc1cc(C#N)cc(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000342504352 433731507 /nfs/dbraw/zinc/73/15/07/433731507.db2.gz DFIVGHJEEAYFDR-CRAIPNDOSA-N 1 1 306.413 3.337 10 30 DGEEMO C=CCOCCCC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000377188914 433850851 /nfs/dbraw/zinc/85/08/51/433850851.db2.gz NKSHIDGVCYOORJ-UHFFFAOYSA-N 1 1 300.402 3.086 10 30 DGEEMO C=C(C)CC[N@@H+]1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000352016758 433860822 /nfs/dbraw/zinc/86/08/22/433860822.db2.gz ZODLLKQGOLCTIV-ZDUSSCGKSA-N 1 1 306.372 3.075 10 30 DGEEMO C=CCOc1ccc(CNC[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000414951383 433935015 /nfs/dbraw/zinc/93/50/15/433935015.db2.gz GQNNVKGEXDNIDK-HXUWFJFHSA-N 1 1 308.425 3.228 10 30 DGEEMO C=CCN(CC(F)(F)F)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000363315504 434021693 /nfs/dbraw/zinc/02/16/93/434021693.db2.gz WKEYFSHYWGAXSY-ZDUSSCGKSA-N 1 1 318.383 3.218 10 30 DGEEMO C=CC[N@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000377792172 433997665 /nfs/dbraw/zinc/99/76/65/433997665.db2.gz NFVOAIOUDXTYNO-UHFFFAOYSA-N 1 1 302.466 3.385 10 30 DGEEMO C=C(C)C[N@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000378530776 434215926 /nfs/dbraw/zinc/21/59/26/434215926.db2.gz FSTKOLBRABPHAD-OAHLLOKOSA-N 1 1 316.449 3.294 10 30 DGEEMO C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000328690213 434301058 /nfs/dbraw/zinc/30/10/58/434301058.db2.gz IIKSHQZZIVWUIQ-XGHPGWEVSA-N 1 1 318.465 3.444 10 30 DGEEMO Cc1nc2cccc(C(=O)NC3CC([NH+]4CCCCC4)C3)c2[nH]1 ZINC000328719101 434301895 /nfs/dbraw/zinc/30/18/95/434301895.db2.gz VKRUEIMWQSJHLH-UHFFFAOYSA-N 1 1 312.417 3.193 10 30 DGEEMO Cc1[nH+]cn(-c2ccc(NC(=O)c3ccc(C#N)o3)cc2)c1C ZINC000358157965 434356130 /nfs/dbraw/zinc/35/61/30/434356130.db2.gz SGXSTOTUYKLJLC-UHFFFAOYSA-N 1 1 306.325 3.206 10 30 DGEEMO C=C(C)Cn1c([C@H](C)CC)nnc1N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000359252373 434415806 /nfs/dbraw/zinc/41/58/06/434415806.db2.gz LGCCZXVVCKZGOA-PMPSAXMXSA-N 1 1 317.481 3.041 10 30 DGEEMO Cc1nsc(N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)c1C#N ZINC000367349072 434544781 /nfs/dbraw/zinc/54/47/81/434544781.db2.gz RJFUWCPQHCEMIQ-ZDUSSCGKSA-N 1 1 316.474 3.024 10 30 DGEEMO N#CCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000369706499 434598642 /nfs/dbraw/zinc/59/86/42/434598642.db2.gz KWLSILZETDXHBC-REPLKXPHSA-N 1 1 309.457 3.465 10 30 DGEEMO N#CCC1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000369706499 434598648 /nfs/dbraw/zinc/59/86/48/434598648.db2.gz KWLSILZETDXHBC-REPLKXPHSA-N 1 1 309.457 3.465 10 30 DGEEMO N#CCC1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000369706499 434598654 /nfs/dbraw/zinc/59/86/54/434598654.db2.gz KWLSILZETDXHBC-REPLKXPHSA-N 1 1 309.457 3.465 10 30 DGEEMO C=CCn1cc(C[NH2+]C/C(C)=C/c2ccc(Cl)cc2)nn1 ZINC000424174450 434646442 /nfs/dbraw/zinc/64/64/42/434646442.db2.gz RXPYBGQTOFTTIH-UKTHLTGXSA-N 1 1 302.809 3.311 10 30 DGEEMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000424294317 434681202 /nfs/dbraw/zinc/68/12/02/434681202.db2.gz KNTBFNDLMYYKAI-LEAZDLGRSA-N 1 1 314.473 3.078 10 30 DGEEMO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1 ZINC000573229026 434884330 /nfs/dbraw/zinc/88/43/30/434884330.db2.gz OHAIVVOGIDOAFS-QRVBRYPASA-N 1 1 300.446 3.214 10 30 DGEEMO C=CCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000573229026 434884334 /nfs/dbraw/zinc/88/43/34/434884334.db2.gz OHAIVVOGIDOAFS-QRVBRYPASA-N 1 1 300.446 3.214 10 30 DGEEMO C=CCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000573229026 434884337 /nfs/dbraw/zinc/88/43/37/434884337.db2.gz OHAIVVOGIDOAFS-QRVBRYPASA-N 1 1 300.446 3.214 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000463029111 434940045 /nfs/dbraw/zinc/94/00/45/434940045.db2.gz NGXFROVDPDQFIY-OAQYLSRUSA-N 1 1 323.436 3.387 10 30 DGEEMO C=CCC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000463777713 434969518 /nfs/dbraw/zinc/96/95/18/434969518.db2.gz VIPLTQLLCORADJ-RTBURBONSA-N 1 1 312.457 3.432 10 30 DGEEMO C=CCOc1ccccc1CNC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527807060 435016204 /nfs/dbraw/zinc/01/62/04/435016204.db2.gz LUIQOMJKQSTJMA-GOSISDBHSA-N 1 1 300.446 3.358 10 30 DGEEMO C=CCOc1ccccc1CNC[C@H]1CC[N@H+]1C1CCCC1 ZINC000527807060 435016211 /nfs/dbraw/zinc/01/62/11/435016211.db2.gz LUIQOMJKQSTJMA-GOSISDBHSA-N 1 1 300.446 3.358 10 30 DGEEMO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@@H]2C)cc1 ZINC000536681790 435403475 /nfs/dbraw/zinc/40/34/75/435403475.db2.gz ZQIUSMJIZLVOLN-QFBILLFUSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(CC)C[C@@H]2C)cc1 ZINC000536681790 435403480 /nfs/dbraw/zinc/40/34/80/435403480.db2.gz ZQIUSMJIZLVOLN-QFBILLFUSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000536681790 435403485 /nfs/dbraw/zinc/40/34/85/435403485.db2.gz ZQIUSMJIZLVOLN-QFBILLFUSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000536681790 435403486 /nfs/dbraw/zinc/40/34/86/435403486.db2.gz ZQIUSMJIZLVOLN-QFBILLFUSA-N 1 1 302.462 3.414 10 30 DGEEMO C=CCCCCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000568881233 435480124 /nfs/dbraw/zinc/48/01/24/435480124.db2.gz PWBVYUUCKAUHNF-WMZOPIPTSA-N 1 1 319.493 3.391 10 30 DGEEMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483411897 435518469 /nfs/dbraw/zinc/51/84/69/435518469.db2.gz RPZXQSFVGAYREH-IBGZPJMESA-N 1 1 318.436 3.214 10 30 DGEEMO C[N@H+]1CCC[C@H](CNC[C@H](C#N)CCC#N)[C@@H]1c1cccs1 ZINC000572831304 435873018 /nfs/dbraw/zinc/87/30/18/435873018.db2.gz JTQLDOZUMWLVHH-ZMSDIMECSA-N 1 1 316.474 3.164 10 30 DGEEMO C=C(C)[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000580209558 333009858 /nfs/dbraw/zinc/00/98/58/333009858.db2.gz BFBLFURFSAFLHF-PXAZEXFGSA-N 1 1 308.372 3.040 10 30 DGEEMO C=CC[C@@H]1N(C(=O)Cn2c[nH+]c3c2CCCC3)CCCC1(C)C ZINC000516706596 333128542 /nfs/dbraw/zinc/12/85/42/333128542.db2.gz LWLPVWFFWAUAGD-KRWDZBQOSA-N 1 1 315.461 3.355 10 30 DGEEMO Cc1cc(N2CCOCC2)c2c(-c3cccc(C#N)c3)c[nH]c2[nH+]1 ZINC000584598909 337370559 /nfs/dbraw/zinc/37/05/59/337370559.db2.gz UFIMWXLIOWWALA-UHFFFAOYSA-N 1 1 318.380 3.198 10 30 DGEEMO N#Cc1cccc(-c2c[nH]c3[nH+]ccc(N4CCOCC4)c23)c1F ZINC000584598916 337370574 /nfs/dbraw/zinc/37/05/74/337370574.db2.gz VKOXBVYHAXPLSW-UHFFFAOYSA-N 1 1 322.343 3.077 10 30 DGEEMO C=CCCc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000505011175 340158748 /nfs/dbraw/zinc/15/87/48/340158748.db2.gz RDGBJUUTPKCGHE-HNNXBMFYSA-N 1 1 301.434 3.269 10 30 DGEEMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](COC)CC2)c1C ZINC000452097784 534433306 /nfs/dbraw/zinc/43/33/06/534433306.db2.gz ZUXYUHYGICUKOD-KRWDZBQOSA-N 1 1 318.461 3.222 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000449460890 534882116 /nfs/dbraw/zinc/88/21/16/534882116.db2.gz ODWZHPKGELNLBJ-OTWHNJEPSA-N 1 1 301.430 3.377 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CC[C@@](O)(C(F)F)C2)cc1Cl ZINC000449467750 534883102 /nfs/dbraw/zinc/88/31/02/534883102.db2.gz JRIXRMYHRHPBEX-HNNXBMFYSA-N 1 1 317.763 3.107 10 30 DGEEMO C=CCOc1ccc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)cc1Cl ZINC000449467750 534883104 /nfs/dbraw/zinc/88/31/04/534883104.db2.gz JRIXRMYHRHPBEX-HNNXBMFYSA-N 1 1 317.763 3.107 10 30 DGEEMO C=CC[N@@H+](CCc1ccco1)Cc1cn(-c2ccncc2)nc1C ZINC000346306004 526326728 /nfs/dbraw/zinc/32/67/28/526326728.db2.gz CUEXNMCVGQCPTM-UHFFFAOYSA-N 1 1 322.412 3.399 10 30 DGEEMO C=CC[N@H+](CCc1ccco1)Cc1cn(-c2ccncc2)nc1C ZINC000346306004 526326736 /nfs/dbraw/zinc/32/67/36/526326736.db2.gz CUEXNMCVGQCPTM-UHFFFAOYSA-N 1 1 322.412 3.399 10 30 DGEEMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(F)cc1C(=O)OC ZINC000352700943 526327276 /nfs/dbraw/zinc/32/72/76/526327276.db2.gz CPVQIGCPWLZSHX-UHFFFAOYSA-N 1 1 317.360 3.436 10 30 DGEEMO C=CC[N@H+](CCc1ccco1)Cc1ccc(F)cc1C(=O)OC ZINC000352700943 526327277 /nfs/dbraw/zinc/32/72/77/526327277.db2.gz CPVQIGCPWLZSHX-UHFFFAOYSA-N 1 1 317.360 3.436 10 30 DGEEMO C=CCN(Cc1ccccc1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431770828 526352396 /nfs/dbraw/zinc/35/23/96/526352396.db2.gz GRLVZNNOBZXSFU-SFHVURJKSA-N 1 1 300.446 3.466 10 30 DGEEMO C=C(C)CC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(C)ccc1OC ZINC000351874374 526444141 /nfs/dbraw/zinc/44/41/41/526444141.db2.gz ITLKGALWUMJHOX-MRXNPFEDSA-N 1 1 302.418 3.373 10 30 DGEEMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1nc(C)ccc1O ZINC000348874302 526573883 /nfs/dbraw/zinc/57/38/83/526573883.db2.gz HQSODOBBGRECTK-UHFFFAOYSA-N 1 1 314.433 3.451 10 30 DGEEMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1nc(C)ccc1O ZINC000348874302 526573890 /nfs/dbraw/zinc/57/38/90/526573890.db2.gz HQSODOBBGRECTK-UHFFFAOYSA-N 1 1 314.433 3.451 10 30 DGEEMO C=CCOc1ccccc1C[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000354559463 526930740 /nfs/dbraw/zinc/93/07/40/526930740.db2.gz FKXYKRSNWLHBPH-IBGZPJMESA-N 1 1 303.446 3.482 10 30 DGEEMO C=CCOc1ccccc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000430154170 526932836 /nfs/dbraw/zinc/93/28/36/526932836.db2.gz WQTGYGGADVRTFO-SFHVURJKSA-N 1 1 301.430 3.500 10 30 DGEEMO C=CCOc1ccccc1CNC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434783541 526949039 /nfs/dbraw/zinc/94/90/39/526949039.db2.gz JMNHGJNYCILLGN-GOSISDBHSA-N 1 1 300.446 3.358 10 30 DGEEMO C=CCOc1ccccc1CNC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434783541 526949045 /nfs/dbraw/zinc/94/90/45/526949045.db2.gz JMNHGJNYCILLGN-GOSISDBHSA-N 1 1 300.446 3.358 10 30 DGEEMO C=CCOc1ccccc1CNC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434783542 526949166 /nfs/dbraw/zinc/94/91/66/526949166.db2.gz JMNHGJNYCILLGN-SFHVURJKSA-N 1 1 300.446 3.358 10 30 DGEEMO C=CCOc1ccccc1CNC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434783542 526949168 /nfs/dbraw/zinc/94/91/68/526949168.db2.gz JMNHGJNYCILLGN-SFHVURJKSA-N 1 1 300.446 3.358 10 30 DGEEMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000348269113 527193889 /nfs/dbraw/zinc/19/38/89/527193889.db2.gz DNPPDGDVEXXBPV-AWEZNQCLSA-N 1 1 312.417 3.302 10 30 DGEEMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(N(CC)CCOC)n1 ZINC000352355058 527605567 /nfs/dbraw/zinc/60/55/67/527605567.db2.gz ATSKQWGZHIMWEQ-KRWDZBQOSA-N 1 1 303.450 3.095 10 30 DGEEMO C=CCCCN(C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000181299259 546155475 /nfs/dbraw/zinc/15/54/75/546155475.db2.gz WIPXRHJZCGRJHX-INIZCTEOSA-N 1 1 303.450 3.115 10 30 DGEEMO C=CCOc1ccc(C[N@H+]2CCCCC[C@H]2CCO)cc1OC ZINC000342819210 546559635 /nfs/dbraw/zinc/55/96/35/546559635.db2.gz AAUJIBBBBPUYSB-KRWDZBQOSA-N 1 1 319.445 3.387 10 30 DGEEMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000585159407 547025839 /nfs/dbraw/zinc/02/58/39/547025839.db2.gz NZKJOEAYACKSDF-ZNRGTERASA-N 1 1 323.440 3.253 10 30 DGEEMO Cc1ccc(N=NC2CC[N@H+](Cc3ccccn3)C[C@@H]2C)nc1 ZINC000734365128 574658005 /nfs/dbraw/zinc/65/80/05/574658005.db2.gz CCYHSNLWVUNBMV-HNNXBMFYSA-N 1 1 309.417 3.095 10 30 DGEEMO CN(Cc1cc(Cl)ccc1OCC#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000741249159 574954213 /nfs/dbraw/zinc/95/42/13/574954213.db2.gz CTBNUFJEWXQHHB-AWEZNQCLSA-N 1 1 321.852 3.016 10 30 DGEEMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)/C=C(\C)c1ccccc1Cl ZINC000729812182 575263945 /nfs/dbraw/zinc/26/39/45/575263945.db2.gz OGJBEKCVIOGCTM-OKFGHLOFSA-N 1 1 317.816 3.384 10 30 DGEEMO C=CCCC[N@H+](C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000119021606 621608100 /nfs/dbraw/zinc/60/81/00/621608100.db2.gz JEINAQZSIKTLPJ-UHFFFAOYSA-N 1 1 301.386 3.378 10 30 DGEEMO C=CCCC[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000119724687 621721378 /nfs/dbraw/zinc/72/13/78/621721378.db2.gz KRBUWVGCNICDKX-UHFFFAOYSA-N 1 1 300.362 3.314 10 30 DGEEMO C#CCC(C)(C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000185303566 660214451 /nfs/dbraw/zinc/21/44/51/660214451.db2.gz ZWNKCRTVTNPRED-SFHVURJKSA-N 1 1 312.457 3.207 10 30 DGEEMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000072916957 660228050 /nfs/dbraw/zinc/22/80/50/660228050.db2.gz TXICOTMXYGZWGC-KRWDZBQOSA-N 1 1 323.444 3.451 10 30 DGEEMO Cc1cc(C)cc(NC(=[NH2+])NCc2nc3cccc(C)c3[nH]2)c1 ZINC000305707242 657732077 /nfs/dbraw/zinc/73/20/77/657732077.db2.gz IJDLQVODFQNFRT-UHFFFAOYSA-N 1 1 307.401 3.415 10 30 DGEEMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccccc1 ZINC000068825680 659965917 /nfs/dbraw/zinc/96/59/17/659965917.db2.gz SMEJASXBSBYAGT-SFHVURJKSA-N 1 1 312.369 3.316 10 30 DGEEMO C#CC[N@H+](Cc1ccc(O[C@@H](C)C(=O)OC)cc1)C1CCCC1 ZINC000093819842 662360162 /nfs/dbraw/zinc/36/01/62/662360162.db2.gz FFEYDJMOXAZDEU-HNNXBMFYSA-N 1 1 315.413 3.005 10 30 DGEEMO C#CC[N@@H+](C)CCCNC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000328041601 1176627067 /nfs/dbraw/zinc/62/70/67/1176627067.db2.gz XNCKHUOHTQXSCQ-UHFFFAOYSA-N 1 1 314.216 3.070 10 30 DGEEMO C[C@@H]1C[C@@H](Nc2cc(Br)ccc2C#N)CC[N@H+]1C ZINC000123363779 1200277390 /nfs/dbraw/zinc/27/73/90/1200277390.db2.gz WEJNXBPHEGSLGJ-MFKMUULPSA-N 1 1 308.223 3.215 10 30 DGEEMO C=CCOc1ccc(C[NH2+][C@H](C)Cc2cc(C)[nH]n2)cc1OC ZINC000136762748 1201212869 /nfs/dbraw/zinc/21/28/69/1201212869.db2.gz LASHDEFLFUPDOV-CYBMUJFWSA-N 1 1 315.417 3.012 10 30 DGEEMO C=CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CCC)C1)c1ccccc1 ZINC000275388788 1202843647 /nfs/dbraw/zinc/84/36/47/1202843647.db2.gz XKDGSMHEOUMMCI-SJLPKXTDSA-N 1 1 300.446 3.194 10 30 DGEEMO Cn1ccnc1[C@H]([NH2+]CCCCC#N)c1ccccc1Cl ZINC000180640350 1204332938 /nfs/dbraw/zinc/33/29/38/1204332938.db2.gz HCQLBKSJMLAFAO-OAHLLOKOSA-N 1 1 302.809 3.446 10 30 DGEEMO