smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180488776 705742571 /nfs/dbraw/zinc/74/25/71/705742571.db2.gz PZHBVGDQQHSGLL-WMZOPIPTSA-N 2 2 351.535 3.310 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+](C)C2CCCC2)c1=S ZINC000798197829 723912630 /nfs/dbraw/zinc/91/26/30/723912630.db2.gz VJUHFFKTSAXGGX-UHFFFAOYSA-N 2 2 363.575 3.460 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+](C)C2CCCC2)c1=S ZINC000798197829 723912631 /nfs/dbraw/zinc/91/26/31/723912631.db2.gz VJUHFFKTSAXGGX-UHFFFAOYSA-N 2 2 363.575 3.460 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788247336 725052694 /nfs/dbraw/zinc/05/26/94/725052694.db2.gz HQQAAEDRLZJUPQ-QZTJIDSGSA-N 2 2 351.535 3.452 20 30 FGEDLP N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000580095819 505676113 /nfs/dbraw/zinc/67/61/13/505676113.db2.gz ILRLUWZNWBUGAD-HXUWFJFHSA-N 2 2 357.498 3.056 20 30 FGEDLP N#CCCCOc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000580095819 505676117 /nfs/dbraw/zinc/67/61/17/505676117.db2.gz ILRLUWZNWBUGAD-HXUWFJFHSA-N 2 2 357.498 3.056 20 30 FGEDLP Cn1cc(C[N@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1C#N ZINC000577562331 505752875 /nfs/dbraw/zinc/75/28/75/505752875.db2.gz ZFHZFVHJGLQNOF-UHFFFAOYSA-N 2 2 353.857 3.449 20 30 FGEDLP Cn1cc(C[N@@H+](CCn2cc[nH+]c2)Cc2cccc(Cl)c2)cc1C#N ZINC000577562331 505752876 /nfs/dbraw/zinc/75/28/76/505752876.db2.gz ZFHZFVHJGLQNOF-UHFFFAOYSA-N 2 2 353.857 3.449 20 30 FGEDLP C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129746203 495289543 /nfs/dbraw/zinc/28/95/43/495289543.db2.gz UEZBIDCFYQTEPW-KSSFIOAISA-N 2 2 371.872 3.320 20 30 FGEDLP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129746203 495289549 /nfs/dbraw/zinc/28/95/49/495289549.db2.gz UEZBIDCFYQTEPW-KSSFIOAISA-N 2 2 371.872 3.320 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C(C)C ZINC000106533188 495463950 /nfs/dbraw/zinc/46/39/50/495463950.db2.gz YWQNZJCUEUZOOT-MSOLQXFVSA-N 2 2 359.518 3.345 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158812817 495594129 /nfs/dbraw/zinc/59/41/29/495594129.db2.gz LCJIDRROAJSZCW-SFHLNBCPSA-N 2 2 368.525 3.046 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158812817 495594137 /nfs/dbraw/zinc/59/41/37/495594137.db2.gz LCJIDRROAJSZCW-SFHLNBCPSA-N 2 2 368.525 3.046 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000158812817 495594140 /nfs/dbraw/zinc/59/41/40/495594140.db2.gz LCJIDRROAJSZCW-SFHLNBCPSA-N 2 2 368.525 3.046 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158812817 495594146 /nfs/dbraw/zinc/59/41/46/495594146.db2.gz LCJIDRROAJSZCW-SFHLNBCPSA-N 2 2 368.525 3.046 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000173619742 495618073 /nfs/dbraw/zinc/61/80/73/495618073.db2.gz HRDLTLBTISVPBR-SFHVURJKSA-N 2 2 356.514 3.093 20 30 FGEDLP C[C@H](CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000183226425 495888001 /nfs/dbraw/zinc/88/80/01/495888001.db2.gz QXMIZEFIXKBWBG-LJQANCHMSA-N 3 2 354.542 3.377 20 30 FGEDLP COC(=O)C1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000183235510 495892397 /nfs/dbraw/zinc/89/23/97/495892397.db2.gz AJCAYDCOGWGTDZ-UHFFFAOYSA-N 2 2 369.509 3.236 20 30 FGEDLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1ccco1 ZINC000160602249 496001239 /nfs/dbraw/zinc/00/12/39/496001239.db2.gz DVZRKQZJPVDFJQ-LBPRGKRZSA-N 2 2 356.348 3.208 20 30 FGEDLP [NH2+]=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccccc1OC(F)(F)F ZINC000160672479 496017157 /nfs/dbraw/zinc/01/71/57/496017157.db2.gz UKBDZYVDTQDNOY-UHFFFAOYSA-N 2 2 367.375 3.087 20 30 FGEDLP N#Cc1ccccc1CSCC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000177823663 496211520 /nfs/dbraw/zinc/21/15/20/496211520.db2.gz KZDRUCPWKGPTTH-UHFFFAOYSA-N 2 2 366.534 3.441 20 30 FGEDLP C[C@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000161728841 496228915 /nfs/dbraw/zinc/22/89/15/496228915.db2.gz KAHVOVQFRUVKJQ-KRWDZBQOSA-N 2 2 372.476 3.459 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000177907401 496247057 /nfs/dbraw/zinc/24/70/57/496247057.db2.gz WJZQWBNJGIYXHV-QGZVFWFLSA-N 2 2 354.498 3.300 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CCO)C3CCCCC3)CC2)cc1 ZINC000181912474 496597590 /nfs/dbraw/zinc/59/75/90/496597590.db2.gz LIRJVYSUQKKWJL-JOCHJYFZSA-N 2 2 355.526 3.444 20 30 FGEDLP C=CC[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000249278657 497185610 /nfs/dbraw/zinc/18/56/10/497185610.db2.gz OCMMQLCUUZCFNJ-IUPYZPJSSA-N 2 2 367.537 3.116 20 30 FGEDLP C=CC[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000249278657 497185612 /nfs/dbraw/zinc/18/56/12/497185612.db2.gz OCMMQLCUUZCFNJ-IUPYZPJSSA-N 2 2 367.537 3.116 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000252652750 497315990 /nfs/dbraw/zinc/31/59/90/497315990.db2.gz FEJTWOIJRUQAAF-SCTDSRPQSA-N 2 2 361.555 3.067 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000252652750 497315995 /nfs/dbraw/zinc/31/59/95/497315995.db2.gz FEJTWOIJRUQAAF-SCTDSRPQSA-N 2 2 361.555 3.067 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000252652750 497315999 /nfs/dbraw/zinc/31/59/99/497315999.db2.gz FEJTWOIJRUQAAF-SCTDSRPQSA-N 2 2 361.555 3.067 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000252652750 497316003 /nfs/dbraw/zinc/31/60/03/497316003.db2.gz FEJTWOIJRUQAAF-SCTDSRPQSA-N 2 2 361.555 3.067 20 30 FGEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1C ZINC000266750038 497411812 /nfs/dbraw/zinc/41/18/12/497411812.db2.gz NUJYZBOUCBLXNZ-UHFFFAOYSA-N 2 2 365.481 3.153 20 30 FGEDLP CN(C(=O)c1cc(C#N)cs1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245687433 497502156 /nfs/dbraw/zinc/50/21/56/497502156.db2.gz ISRRPYKRIMQIRC-ZWKOTPCHSA-N 2 2 374.554 3.029 20 30 FGEDLP CN(C(=O)c1cc(C#N)cs1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245687433 497502157 /nfs/dbraw/zinc/50/21/57/497502157.db2.gz ISRRPYKRIMQIRC-ZWKOTPCHSA-N 2 2 374.554 3.029 20 30 FGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000245976948 497588142 /nfs/dbraw/zinc/58/81/42/497588142.db2.gz XESXODBTZDBJFK-SJLPKXTDSA-N 2 2 352.400 3.353 20 30 FGEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000245976948 497588145 /nfs/dbraw/zinc/58/81/45/497588145.db2.gz XESXODBTZDBJFK-SJLPKXTDSA-N 2 2 352.400 3.353 20 30 FGEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000245976948 497588148 /nfs/dbraw/zinc/58/81/48/497588148.db2.gz XESXODBTZDBJFK-SJLPKXTDSA-N 2 2 352.400 3.353 20 30 FGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000245976948 497588151 /nfs/dbraw/zinc/58/81/51/497588151.db2.gz XESXODBTZDBJFK-SJLPKXTDSA-N 2 2 352.400 3.353 20 30 FGEDLP N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000246509889 497758855 /nfs/dbraw/zinc/75/88/55/497758855.db2.gz IETJMUXCZQZXND-KXBFYZLASA-N 2 2 372.900 3.099 20 30 FGEDLP N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000246509889 497758859 /nfs/dbraw/zinc/75/88/59/497758859.db2.gz IETJMUXCZQZXND-KXBFYZLASA-N 2 2 372.900 3.099 20 30 FGEDLP N#Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000246509889 497758864 /nfs/dbraw/zinc/75/88/64/497758864.db2.gz IETJMUXCZQZXND-KXBFYZLASA-N 2 2 372.900 3.099 20 30 FGEDLP N#Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000246509889 497758868 /nfs/dbraw/zinc/75/88/68/497758868.db2.gz IETJMUXCZQZXND-KXBFYZLASA-N 2 2 372.900 3.099 20 30 FGEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246936391 497821161 /nfs/dbraw/zinc/82/11/61/497821161.db2.gz INFIAYZFRHQGIV-WMZHIEFXSA-N 2 2 363.505 3.484 20 30 FGEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246936391 497821162 /nfs/dbraw/zinc/82/11/62/497821162.db2.gz INFIAYZFRHQGIV-WMZHIEFXSA-N 2 2 363.505 3.484 20 30 FGEDLP Cc1cc(C)c2ncc(C#N)c(NCC[NH+]3CCC([NH+](C)C)CC3)c2c1 ZINC000301516672 498143925 /nfs/dbraw/zinc/14/39/25/498143925.db2.gz FNJNIZRUPQMHFD-UHFFFAOYSA-N 2 2 351.498 3.161 20 30 FGEDLP COc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)ccc1C#N ZINC000281577909 498200669 /nfs/dbraw/zinc/20/06/69/498200669.db2.gz CZLGIGMHDULOHZ-UHFFFAOYSA-N 2 2 365.481 3.104 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293072058 498258435 /nfs/dbraw/zinc/25/84/35/498258435.db2.gz VMTNGIVECQNHJL-XLIONFOSSA-N 2 2 361.555 3.069 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293072058 498258444 /nfs/dbraw/zinc/25/84/44/498258444.db2.gz VMTNGIVECQNHJL-XLIONFOSSA-N 2 2 361.555 3.069 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293072058 498258449 /nfs/dbraw/zinc/25/84/49/498258449.db2.gz VMTNGIVECQNHJL-XLIONFOSSA-N 2 2 361.555 3.069 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293072058 498258454 /nfs/dbraw/zinc/25/84/54/498258454.db2.gz VMTNGIVECQNHJL-XLIONFOSSA-N 2 2 361.555 3.069 20 30 FGEDLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328659040 498893410 /nfs/dbraw/zinc/89/34/10/498893410.db2.gz SAVGSDHINMIGSI-MRXNPFEDSA-N 2 2 370.501 3.037 20 30 FGEDLP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328659040 498893412 /nfs/dbraw/zinc/89/34/12/498893412.db2.gz SAVGSDHINMIGSI-MRXNPFEDSA-N 2 2 370.501 3.037 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C1CCN(C(=O)c2ccco2)CC1)C(C)C ZINC000370670228 499242415 /nfs/dbraw/zinc/24/24/15/499242415.db2.gz YKGGFQLKAJKAOE-LJQANCHMSA-N 2 2 359.514 3.172 20 30 FGEDLP COc1ccc([C@H](CCC#N)[NH2+]C[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000373188265 499456176 /nfs/dbraw/zinc/45/61/76/499456176.db2.gz SRMJAAIQJFLWEN-GIVPXCGWSA-N 2 2 357.498 3.131 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000377715534 499724277 /nfs/dbraw/zinc/72/42/77/499724277.db2.gz CWENRKYFCRQRQP-GOSISDBHSA-N 2 2 365.481 3.371 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000377715534 499724279 /nfs/dbraw/zinc/72/42/79/499724279.db2.gz CWENRKYFCRQRQP-GOSISDBHSA-N 2 2 365.481 3.371 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1OC ZINC000415055320 499858840 /nfs/dbraw/zinc/85/88/40/499858840.db2.gz OIFXCUALWCPGEC-HNNXBMFYSA-N 2 2 371.319 3.486 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431616264 500398812 /nfs/dbraw/zinc/39/88/12/500398812.db2.gz FBOXVDSSPLPLGX-SJLPKXTDSA-N 2 2 371.506 3.200 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431616264 500398816 /nfs/dbraw/zinc/39/88/16/500398816.db2.gz FBOXVDSSPLPLGX-SJLPKXTDSA-N 2 2 371.506 3.200 20 30 FGEDLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000451027596 501240429 /nfs/dbraw/zinc/24/04/29/501240429.db2.gz NRFCBBAPIZCURX-MRXNPFEDSA-N 2 2 356.857 3.326 20 30 FGEDLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000451027596 501240430 /nfs/dbraw/zinc/24/04/30/501240430.db2.gz NRFCBBAPIZCURX-MRXNPFEDSA-N 2 2 356.857 3.326 20 30 FGEDLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000482145945 501988868 /nfs/dbraw/zinc/98/88/68/501988868.db2.gz PFZJNULUJIVWNW-WMZOPIPTSA-N 2 2 360.502 3.197 20 30 FGEDLP C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466378794 502552963 /nfs/dbraw/zinc/55/29/63/502552963.db2.gz SECYROWFURQWST-IHPCNDPISA-N 2 2 364.578 3.320 20 30 FGEDLP C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466378794 502552964 /nfs/dbraw/zinc/55/29/64/502552964.db2.gz SECYROWFURQWST-IHPCNDPISA-N 2 2 364.578 3.320 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481175469 502772945 /nfs/dbraw/zinc/77/29/45/502772945.db2.gz KHANMUJXKYOBMB-ZJOUEHCJSA-N 2 2 357.542 3.300 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481175469 502772951 /nfs/dbraw/zinc/77/29/51/502772951.db2.gz KHANMUJXKYOBMB-ZJOUEHCJSA-N 2 2 357.542 3.300 20 30 FGEDLP C=CCOc1ccccc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000512676266 503609866 /nfs/dbraw/zinc/60/98/66/503609866.db2.gz ADFXQOJJXZIERP-PMACEKPBSA-N 2 2 357.542 3.242 20 30 FGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541204422 504041616 /nfs/dbraw/zinc/04/16/16/504041616.db2.gz JPFFKCYZKNMUAC-SFHVURJKSA-N 2 2 371.529 3.106 20 30 FGEDLP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000519681567 504300771 /nfs/dbraw/zinc/30/07/71/504300771.db2.gz ACNXOKQOBYSANS-OAQYLSRUSA-N 2 2 355.457 3.012 20 30 FGEDLP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000519681567 504300778 /nfs/dbraw/zinc/30/07/78/504300778.db2.gz ACNXOKQOBYSANS-OAQYLSRUSA-N 2 2 355.457 3.012 20 30 FGEDLP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000519681567 504300782 /nfs/dbraw/zinc/30/07/82/504300782.db2.gz ACNXOKQOBYSANS-OAQYLSRUSA-N 2 2 355.457 3.012 20 30 FGEDLP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000519681567 504300788 /nfs/dbraw/zinc/30/07/88/504300788.db2.gz ACNXOKQOBYSANS-OAQYLSRUSA-N 2 2 355.457 3.012 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3Br)CC2)cc1 ZINC000548479939 504460413 /nfs/dbraw/zinc/46/04/13/504460413.db2.gz VGCMFBUOGASIFW-UHFFFAOYSA-N 2 2 357.255 3.038 20 30 FGEDLP N#Cc1csc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000589316847 506514428 /nfs/dbraw/zinc/51/44/28/506514428.db2.gz GLQCNKXKAIKLGK-YTQUADARSA-N 2 2 352.507 3.405 20 30 FGEDLP N#Cc1csc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000589316847 506514435 /nfs/dbraw/zinc/51/44/35/506514435.db2.gz GLQCNKXKAIKLGK-YTQUADARSA-N 2 2 352.507 3.405 20 30 FGEDLP COc1cc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1C#N ZINC000589345580 506524750 /nfs/dbraw/zinc/52/47/50/506524750.db2.gz NTMPVSFGCJJLIG-UHFFFAOYSA-N 2 2 360.461 3.193 20 30 FGEDLP Cn1c2ccccc2nc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593692772 506734542 /nfs/dbraw/zinc/73/45/42/506734542.db2.gz JYWWCZDFCYUBFL-UHFFFAOYSA-N 2 2 359.477 3.199 20 30 FGEDLP COc1cccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1F ZINC000593693143 506734698 /nfs/dbraw/zinc/73/46/98/506734698.db2.gz QSSNZKZZSZDDRH-UHFFFAOYSA-N 2 2 353.441 3.460 20 30 FGEDLP Cn1nc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000612829309 506768677 /nfs/dbraw/zinc/76/86/77/506768677.db2.gz ZAOXZWOANTXDEU-UHFFFAOYSA-N 2 2 359.477 3.199 20 30 FGEDLP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000594440887 507135467 /nfs/dbraw/zinc/13/54/67/507135467.db2.gz IXGGKASBZSEKDI-QGZVFWFLSA-N 2 2 351.454 3.236 20 30 FGEDLP CC(C)OC(=O)C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000594625235 507214682 /nfs/dbraw/zinc/21/46/82/507214682.db2.gz SXPSOYPDCDESPW-OAQYLSRUSA-N 2 2 371.525 3.479 20 30 FGEDLP N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)c1 ZINC000610995347 507473442 /nfs/dbraw/zinc/47/34/42/507473442.db2.gz WGLZBFPXVYNGJZ-MJGOQNOKSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)c1 ZINC000610995347 507473444 /nfs/dbraw/zinc/47/34/44/507473444.db2.gz WGLZBFPXVYNGJZ-MJGOQNOKSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1cccc(-c2nnc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)o2)c1 ZINC000610995347 507473459 /nfs/dbraw/zinc/47/34/59/507473459.db2.gz WGLZBFPXVYNGJZ-MJGOQNOKSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1cccc(-c2nnc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)o2)c1 ZINC000610995347 507473466 /nfs/dbraw/zinc/47/34/66/507473466.db2.gz WGLZBFPXVYNGJZ-MJGOQNOKSA-N 2 2 363.465 3.057 20 30 FGEDLP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000598722141 507567689 /nfs/dbraw/zinc/56/76/89/507567689.db2.gz AELYJJOEXIDZSM-VKJFTORMSA-N 2 2 367.896 3.362 20 30 FGEDLP C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000598722141 507567694 /nfs/dbraw/zinc/56/76/94/507567694.db2.gz AELYJJOEXIDZSM-VKJFTORMSA-N 2 2 367.896 3.362 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000751942225 722836477 /nfs/dbraw/zinc/83/64/77/722836477.db2.gz QIJVRRQMRKRGIR-IRXDYDNUSA-N 2 2 363.575 3.316 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1=S ZINC000751942225 722836478 /nfs/dbraw/zinc/83/64/78/722836478.db2.gz QIJVRRQMRKRGIR-IRXDYDNUSA-N 2 2 363.575 3.316 20 30 FGEDLP C[NH+](C)CCN(Cc1c[nH+]c2ccc(Cl)cn12)Cc1ccc(C#N)cc1 ZINC000570858596 505596933 /nfs/dbraw/zinc/59/69/33/505596933.db2.gz ZRKUVMDMYOYCFV-UHFFFAOYSA-N 2 2 367.884 3.423 20 30 FGEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000081095103 493831154 /nfs/dbraw/zinc/83/11/54/493831154.db2.gz RSMUXODUNBTBPF-CTNGQTDRSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000081095103 493831158 /nfs/dbraw/zinc/83/11/58/493831158.db2.gz RSMUXODUNBTBPF-CTNGQTDRSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000081095103 493831162 /nfs/dbraw/zinc/83/11/62/493831162.db2.gz RSMUXODUNBTBPF-CTNGQTDRSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000081095103 493831165 /nfs/dbraw/zinc/83/11/65/493831165.db2.gz RSMUXODUNBTBPF-CTNGQTDRSA-N 2 2 370.541 3.212 20 30 FGEDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000081568559 493919715 /nfs/dbraw/zinc/91/97/15/493919715.db2.gz BSCKODQZTCRQQL-HXUWFJFHSA-N 2 2 370.541 3.214 20 30 FGEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000081568559 493919718 /nfs/dbraw/zinc/91/97/18/493919718.db2.gz BSCKODQZTCRQQL-HXUWFJFHSA-N 2 2 370.541 3.214 20 30 FGEDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000081568559 493919721 /nfs/dbraw/zinc/91/97/21/493919721.db2.gz BSCKODQZTCRQQL-HXUWFJFHSA-N 2 2 370.541 3.214 20 30 FGEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000081568559 493919725 /nfs/dbraw/zinc/91/97/25/493919725.db2.gz BSCKODQZTCRQQL-HXUWFJFHSA-N 2 2 370.541 3.214 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109792890 494919385 /nfs/dbraw/zinc/91/93/85/494919385.db2.gz SRYKHJQLPNSDMT-GOSISDBHSA-N 2 2 365.481 3.164 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158812974 495594467 /nfs/dbraw/zinc/59/44/67/495594467.db2.gz LCJIDRROAJSZCW-QKNQBKEWSA-N 2 2 368.525 3.046 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158812974 495594470 /nfs/dbraw/zinc/59/44/70/495594470.db2.gz LCJIDRROAJSZCW-QKNQBKEWSA-N 2 2 368.525 3.046 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000158812974 495594474 /nfs/dbraw/zinc/59/44/74/495594474.db2.gz LCJIDRROAJSZCW-QKNQBKEWSA-N 2 2 368.525 3.046 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158812974 495594478 /nfs/dbraw/zinc/59/44/78/495594478.db2.gz LCJIDRROAJSZCW-QKNQBKEWSA-N 2 2 368.525 3.046 20 30 FGEDLP C[N@H+](C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CC1 ZINC000577785723 505792029 /nfs/dbraw/zinc/79/20/29/505792029.db2.gz ZNPIEVSOVUHHKP-JOCHJYFZSA-N 2 2 367.468 3.155 20 30 FGEDLP C[N@@H+](C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CC1 ZINC000577785723 505792031 /nfs/dbraw/zinc/79/20/31/505792031.db2.gz ZNPIEVSOVUHHKP-JOCHJYFZSA-N 2 2 367.468 3.155 20 30 FGEDLP C[NH+](C[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CC1 ZINC000577785723 505792035 /nfs/dbraw/zinc/79/20/35/505792035.db2.gz ZNPIEVSOVUHHKP-JOCHJYFZSA-N 2 2 367.468 3.155 20 30 FGEDLP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CC1 ZINC000577785723 505792036 /nfs/dbraw/zinc/79/20/36/505792036.db2.gz ZNPIEVSOVUHHKP-JOCHJYFZSA-N 2 2 367.468 3.155 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173639634 495628483 /nfs/dbraw/zinc/62/84/83/495628483.db2.gz UXNIOKFJAMRRRK-MSOLQXFVSA-N 2 2 363.571 3.457 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173639634 495628484 /nfs/dbraw/zinc/62/84/84/495628484.db2.gz UXNIOKFJAMRRRK-MSOLQXFVSA-N 2 2 363.571 3.457 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173639634 495628488 /nfs/dbraw/zinc/62/84/88/495628488.db2.gz UXNIOKFJAMRRRK-MSOLQXFVSA-N 2 2 363.571 3.457 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173639634 495628491 /nfs/dbraw/zinc/62/84/91/495628491.db2.gz UXNIOKFJAMRRRK-MSOLQXFVSA-N 2 2 363.571 3.457 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150836266 495650314 /nfs/dbraw/zinc/65/03/14/495650314.db2.gz RGARMMSWJVYWON-WOJBJXKFSA-N 2 2 368.525 3.048 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150836266 495650320 /nfs/dbraw/zinc/65/03/20/495650320.db2.gz RGARMMSWJVYWON-WOJBJXKFSA-N 2 2 368.525 3.048 20 30 FGEDLP CC1CC[NH+](CCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181417837 496386930 /nfs/dbraw/zinc/38/69/30/496386930.db2.gz HOGGYCHCIVKEGU-UHFFFAOYSA-N 3 2 354.542 3.234 20 30 FGEDLP FC(F)(F)Oc1ccc(C#CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000157314799 496452354 /nfs/dbraw/zinc/45/23/54/496452354.db2.gz PXELSLWJYNLTRX-GOSISDBHSA-N 2 2 362.351 3.485 20 30 FGEDLP FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000157314799 496452364 /nfs/dbraw/zinc/45/23/64/496452364.db2.gz PXELSLWJYNLTRX-GOSISDBHSA-N 2 2 362.351 3.485 20 30 FGEDLP Cc1ccc(C[C@H](CO)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000191585481 496821842 /nfs/dbraw/zinc/82/18/42/496821842.db2.gz LXDZMPALSXTCEN-HSZRJFAPSA-N 2 2 363.505 3.024 20 30 FGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1CO)CC2 ZINC000569175499 505869214 /nfs/dbraw/zinc/86/92/14/505869214.db2.gz NPORLZOLEXTOLI-MDNUFGMLSA-N 2 2 361.489 3.018 20 30 FGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1CO)CC2 ZINC000569175499 505869218 /nfs/dbraw/zinc/86/92/18/505869218.db2.gz NPORLZOLEXTOLI-MDNUFGMLSA-N 2 2 361.489 3.018 20 30 FGEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)ccc2Br)[C@@H](C)C1 ZINC000249090581 497163759 /nfs/dbraw/zinc/16/37/59/497163759.db2.gz SQRZFBOITXFERO-GUYCJALGSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)ccc2Br)[C@@H](C)C1 ZINC000249090581 497163762 /nfs/dbraw/zinc/16/37/62/497163762.db2.gz SQRZFBOITXFERO-GUYCJALGSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C#N)ccc2Br)[C@@H](C)C1 ZINC000249090581 497163767 /nfs/dbraw/zinc/16/37/67/497163767.db2.gz SQRZFBOITXFERO-GUYCJALGSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2Br)[C@@H](C)C1 ZINC000249090581 497163772 /nfs/dbraw/zinc/16/37/72/497163772.db2.gz SQRZFBOITXFERO-GUYCJALGSA-N 2 2 350.304 3.483 20 30 FGEDLP N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000266917178 497445011 /nfs/dbraw/zinc/44/50/11/497445011.db2.gz LAWSDPUDVAZOAF-INIZCTEOSA-N 2 2 361.449 3.340 20 30 FGEDLP N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000266917178 497445014 /nfs/dbraw/zinc/44/50/14/497445014.db2.gz LAWSDPUDVAZOAF-INIZCTEOSA-N 2 2 361.449 3.340 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000280214015 497683096 /nfs/dbraw/zinc/68/30/96/497683096.db2.gz KKHWQNCMTJYOAK-OAQYLSRUSA-N 2 2 367.497 3.036 20 30 FGEDLP COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000364465680 497971351 /nfs/dbraw/zinc/97/13/51/497971351.db2.gz PMQPGLNQAKCLOP-IFXJQAMLSA-N 2 2 370.522 3.332 20 30 FGEDLP COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000364465680 497971362 /nfs/dbraw/zinc/97/13/62/497971362.db2.gz PMQPGLNQAKCLOP-IFXJQAMLSA-N 2 2 370.522 3.332 20 30 FGEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC#Cc2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000364708893 498105113 /nfs/dbraw/zinc/10/51/13/498105113.db2.gz UCNSYWYOAYAPRO-SIKLNZKXSA-N 2 2 368.500 3.316 20 30 FGEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC#Cc2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000364708893 498105122 /nfs/dbraw/zinc/10/51/22/498105122.db2.gz UCNSYWYOAYAPRO-SIKLNZKXSA-N 2 2 368.500 3.316 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)CC#Cc2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000364708893 498105130 /nfs/dbraw/zinc/10/51/30/498105130.db2.gz UCNSYWYOAYAPRO-SIKLNZKXSA-N 2 2 368.500 3.316 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC#Cc2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000364708893 498105134 /nfs/dbraw/zinc/10/51/34/498105134.db2.gz UCNSYWYOAYAPRO-SIKLNZKXSA-N 2 2 368.500 3.316 20 30 FGEDLP COc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)ccc1C#N ZINC000281691334 498237646 /nfs/dbraw/zinc/23/76/46/498237646.db2.gz NAZXOAVTHWGQQJ-MRXNPFEDSA-N 2 2 350.466 3.277 20 30 FGEDLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000365476979 498487253 /nfs/dbraw/zinc/48/72/53/498487253.db2.gz NJARFHPSOOBRHX-SIIHOXLZSA-N 2 2 365.880 3.330 20 30 FGEDLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000365476979 498487258 /nfs/dbraw/zinc/48/72/58/498487258.db2.gz NJARFHPSOOBRHX-SIIHOXLZSA-N 2 2 365.880 3.330 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000332246359 498617127 /nfs/dbraw/zinc/61/71/27/498617127.db2.gz XBUAMNRGMQIATJ-DYXWJJEUSA-N 2 2 362.562 3.017 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000332246359 498617133 /nfs/dbraw/zinc/61/71/33/498617133.db2.gz XBUAMNRGMQIATJ-DYXWJJEUSA-N 2 2 362.562 3.017 20 30 FGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328965331 499001058 /nfs/dbraw/zinc/00/10/58/499001058.db2.gz SBZFVWMBZBUYAM-KPFFTGBYSA-N 2 2 352.482 3.313 20 30 FGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000328965331 499001066 /nfs/dbraw/zinc/00/10/66/499001066.db2.gz SBZFVWMBZBUYAM-KPFFTGBYSA-N 2 2 352.482 3.313 20 30 FGEDLP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000329069941 499031444 /nfs/dbraw/zinc/03/14/44/499031444.db2.gz NCLMKMGSJAXHPV-UHFFFAOYSA-N 2 2 353.470 3.193 20 30 FGEDLP Cc1cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329369455 499110538 /nfs/dbraw/zinc/11/05/38/499110538.db2.gz IHJPXMDVVCIJIL-WMZOPIPTSA-N 2 2 357.502 3.094 20 30 FGEDLP Cc1cc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329369455 499110540 /nfs/dbraw/zinc/11/05/40/499110540.db2.gz IHJPXMDVVCIJIL-WMZOPIPTSA-N 2 2 357.502 3.094 20 30 FGEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329396624 499115163 /nfs/dbraw/zinc/11/51/63/499115163.db2.gz XOMSONBFCLUUGZ-SJLPKXTDSA-N 2 2 374.529 3.170 20 30 FGEDLP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO[C@H]1C1CC1 ZINC000368651037 499317358 /nfs/dbraw/zinc/31/73/58/499317358.db2.gz FJCBDUOQAWYHOM-VXKWHMMOSA-N 2 2 353.510 3.317 20 30 FGEDLP Cn1c2cc(F)ccc2[nH+]c1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000431014432 500323320 /nfs/dbraw/zinc/32/33/20/500323320.db2.gz NMPGSRSDDIOYPP-UHFFFAOYSA-N 2 2 363.440 3.296 20 30 FGEDLP Cn1c2cc(F)ccc2[nH+]c1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000431014432 500323323 /nfs/dbraw/zinc/32/33/23/500323323.db2.gz NMPGSRSDDIOYPP-UHFFFAOYSA-N 2 2 363.440 3.296 20 30 FGEDLP C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420961317 500542394 /nfs/dbraw/zinc/54/23/94/500542394.db2.gz JBWFAPMMHLJOQQ-UHFFFAOYSA-N 2 2 370.493 3.182 20 30 FGEDLP C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420961317 500542398 /nfs/dbraw/zinc/54/23/98/500542398.db2.gz JBWFAPMMHLJOQQ-UHFFFAOYSA-N 2 2 370.493 3.182 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000444167266 500812380 /nfs/dbraw/zinc/81/23/80/500812380.db2.gz LHJZRISPMPNZIK-KYBDOYODSA-N 2 2 362.562 3.112 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000444167266 500812383 /nfs/dbraw/zinc/81/23/83/500812383.db2.gz LHJZRISPMPNZIK-KYBDOYODSA-N 2 2 362.562 3.112 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000444167266 500812385 /nfs/dbraw/zinc/81/23/85/500812385.db2.gz LHJZRISPMPNZIK-KYBDOYODSA-N 2 2 362.562 3.112 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000444167266 500812387 /nfs/dbraw/zinc/81/23/87/500812387.db2.gz LHJZRISPMPNZIK-KYBDOYODSA-N 2 2 362.562 3.112 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464860723 502125432 /nfs/dbraw/zinc/12/54/32/502125432.db2.gz ZQTCEZGPQSBKAQ-FPOVZHCZSA-N 2 2 355.526 3.029 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464860723 502125436 /nfs/dbraw/zinc/12/54/36/502125436.db2.gz ZQTCEZGPQSBKAQ-FPOVZHCZSA-N 2 2 355.526 3.029 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464860723 502125442 /nfs/dbraw/zinc/12/54/42/502125442.db2.gz ZQTCEZGPQSBKAQ-FPOVZHCZSA-N 2 2 355.526 3.029 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464860723 502125447 /nfs/dbraw/zinc/12/54/47/502125447.db2.gz ZQTCEZGPQSBKAQ-FPOVZHCZSA-N 2 2 355.526 3.029 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469740794 502528169 /nfs/dbraw/zinc/52/81/69/502528169.db2.gz ANTPLKONFRCBJJ-CXAGYDPISA-N 2 2 370.840 3.087 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469740794 502528176 /nfs/dbraw/zinc/52/81/76/502528176.db2.gz ANTPLKONFRCBJJ-CXAGYDPISA-N 2 2 370.840 3.087 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534579242 504181293 /nfs/dbraw/zinc/18/12/93/504181293.db2.gz HUHVMWOCJGWCAB-HNNXBMFYSA-N 2 2 356.495 3.126 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534579242 504181296 /nfs/dbraw/zinc/18/12/96/504181296.db2.gz HUHVMWOCJGWCAB-HNNXBMFYSA-N 2 2 356.495 3.126 20 30 FGEDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1F ZINC000596650652 506512013 /nfs/dbraw/zinc/51/20/13/506512013.db2.gz JECTVHNBOUGQHR-WMQCIHAUSA-N 2 2 365.452 3.429 20 30 FGEDLP N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000589316843 506514968 /nfs/dbraw/zinc/51/49/68/506514968.db2.gz GLQCNKXKAIKLGK-BHIYHBOVSA-N 2 2 352.507 3.405 20 30 FGEDLP N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000589316843 506514973 /nfs/dbraw/zinc/51/49/73/506514973.db2.gz GLQCNKXKAIKLGK-BHIYHBOVSA-N 2 2 352.507 3.405 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](C3CC3)C3CCOCC3)CC2)cc1 ZINC000593668687 506720495 /nfs/dbraw/zinc/72/04/95/506720495.db2.gz PVWATRMPTDPKLB-JOCHJYFZSA-N 2 2 353.510 3.317 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc(-n4cccn4)cc3)CC2)c1 ZINC000593688509 506732708 /nfs/dbraw/zinc/73/27/08/506732708.db2.gz VQPMXVAUDMJYIR-UHFFFAOYSA-N 2 2 371.488 3.498 20 30 FGEDLP COc1cc(C)nc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593692654 506735033 /nfs/dbraw/zinc/73/50/33/506735033.db2.gz HZEJZMWCZPCULR-UHFFFAOYSA-N 2 2 350.466 3.025 20 30 FGEDLP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1 ZINC000593725669 506750372 /nfs/dbraw/zinc/75/03/72/506750372.db2.gz POZSSGVVFJZSNU-QGZVFWFLSA-N 2 2 364.493 3.147 20 30 FGEDLP C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594439384 507132847 /nfs/dbraw/zinc/13/28/47/507132847.db2.gz VEVLXKLSIGXQAE-SFHVURJKSA-N 2 2 371.510 3.125 20 30 FGEDLP C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594439384 507132853 /nfs/dbraw/zinc/13/28/53/507132853.db2.gz VEVLXKLSIGXQAE-SFHVURJKSA-N 2 2 371.510 3.125 20 30 FGEDLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594446291 507136978 /nfs/dbraw/zinc/13/69/78/507136978.db2.gz PCJLLOGJGGJHRW-QGZVFWFLSA-N 2 2 367.497 3.173 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCc4ccccc4NC3=O)CC2)cc1 ZINC000594511828 507163659 /nfs/dbraw/zinc/16/36/59/507163659.db2.gz QODFCERRSBWQPC-JOCHJYFZSA-N 2 2 374.488 3.066 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CO)c3ccc(F)cc3F)CC2)cc1 ZINC000594995572 507346719 /nfs/dbraw/zinc/34/67/19/507346719.db2.gz NMTBEFIUUZULHZ-OAQYLSRUSA-N 2 2 371.431 3.124 20 30 FGEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3c(C#N)cnc4c(Cl)cccc43)C2)CC1 ZINC000591911867 507406427 /nfs/dbraw/zinc/40/64/27/507406427.db2.gz MHRPEOQSGHVKAZ-OAHLLOKOSA-N 2 2 369.900 3.340 20 30 FGEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3c(C#N)cnc4c(Cl)cccc43)C2)CC1 ZINC000591911867 507406431 /nfs/dbraw/zinc/40/64/31/507406431.db2.gz MHRPEOQSGHVKAZ-OAHLLOKOSA-N 2 2 369.900 3.340 20 30 FGEDLP COc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1OCCCC#N ZINC000611268100 507592366 /nfs/dbraw/zinc/59/23/66/507592366.db2.gz LBKSUJZLFZGDFO-SFHVURJKSA-N 2 2 354.454 3.411 20 30 FGEDLP COc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1OCCCC#N ZINC000611268100 507592374 /nfs/dbraw/zinc/59/23/74/507592374.db2.gz LBKSUJZLFZGDFO-SFHVURJKSA-N 2 2 354.454 3.411 20 30 FGEDLP C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000755790411 722956982 /nfs/dbraw/zinc/95/69/82/722956982.db2.gz OBQCJRQXVWPSPZ-HNNXBMFYSA-N 2 2 353.495 3.495 20 30 FGEDLP C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000755790411 722956983 /nfs/dbraw/zinc/95/69/83/722956983.db2.gz OBQCJRQXVWPSPZ-HNNXBMFYSA-N 2 2 353.495 3.495 20 30 FGEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000834849287 729838894 /nfs/dbraw/zinc/83/88/94/729838894.db2.gz ACFPQTSOGGYWCE-AEFFLSMTSA-N 2 2 352.906 3.315 20 30 FGEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000834849287 729838896 /nfs/dbraw/zinc/83/88/96/729838896.db2.gz ACFPQTSOGGYWCE-AEFFLSMTSA-N 2 2 352.906 3.315 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@H](C(F)(F)F)C2)CC1 ZINC000892880792 740054377 /nfs/dbraw/zinc/05/43/77/740054377.db2.gz JNEFIDPSZKOIJQ-OWCLPIDISA-N 2 2 362.436 3.137 20 30 FGEDLP FC1(F)[C@H]2C[NH+](CCC[NH2+]C3CC3)C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923531439 759143402 /nfs/dbraw/zinc/14/34/02/759143402.db2.gz QAWMRKRKGYKDIK-UWVGGRQHSA-N 2 2 366.296 3.231 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080958838 493800121 /nfs/dbraw/zinc/80/01/21/493800121.db2.gz FDNRFCZRABXMPC-SFHVURJKSA-N 2 2 365.481 3.153 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080958838 493800125 /nfs/dbraw/zinc/80/01/25/493800125.db2.gz FDNRFCZRABXMPC-SFHVURJKSA-N 2 2 365.481 3.153 20 30 FGEDLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000076001978 493807977 /nfs/dbraw/zinc/80/79/77/493807977.db2.gz DODIPSBPFOOYKJ-ZWKOTPCHSA-N 2 2 374.504 3.125 20 30 FGEDLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000076001978 493807980 /nfs/dbraw/zinc/80/79/80/493807980.db2.gz DODIPSBPFOOYKJ-ZWKOTPCHSA-N 2 2 374.504 3.125 20 30 FGEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806723 494464865 /nfs/dbraw/zinc/46/48/65/494464865.db2.gz DTSDOCSKUDTWQI-GOSISDBHSA-N 2 2 368.525 3.473 20 30 FGEDLP C[N@H+](Cc1ccc(F)c(C#N)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000121362517 494721527 /nfs/dbraw/zinc/72/15/27/494721527.db2.gz CSKLOCJXLQVRGH-UHFFFAOYSA-N 2 2 352.457 3.231 20 30 FGEDLP C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000121362517 494721533 /nfs/dbraw/zinc/72/15/33/494721533.db2.gz CSKLOCJXLQVRGH-UHFFFAOYSA-N 2 2 352.457 3.231 20 30 FGEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000109786387 494917805 /nfs/dbraw/zinc/91/78/05/494917805.db2.gz VWVYUJWNBCHWHA-UHFFFAOYSA-N 2 2 370.541 3.356 20 30 FGEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000109786387 494917809 /nfs/dbraw/zinc/91/78/09/494917809.db2.gz VWVYUJWNBCHWHA-UHFFFAOYSA-N 2 2 370.541 3.356 20 30 FGEDLP C=CCc1cc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)cc(OC)c1O ZINC000120898630 495480600 /nfs/dbraw/zinc/48/06/00/495480600.db2.gz PPEHKUHTYATLOW-UHFFFAOYSA-N 2 2 353.466 3.155 20 30 FGEDLP COc1ccc(N2CC[NH+](CCC[NH2+]CC(C)(C)CCC#N)CC2)cc1 ZINC000174248955 495881280 /nfs/dbraw/zinc/88/12/80/495881280.db2.gz BUWDRAGYHORAEK-UHFFFAOYSA-N 2 2 358.530 3.127 20 30 FGEDLP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000155229650 495883685 /nfs/dbraw/zinc/88/36/85/495883685.db2.gz IWGHLJNONLWOSJ-UXHICEINSA-N 2 2 369.509 3.251 20 30 FGEDLP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000155229650 495883689 /nfs/dbraw/zinc/88/36/89/495883689.db2.gz IWGHLJNONLWOSJ-UXHICEINSA-N 2 2 369.509 3.251 20 30 FGEDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177087220 495918695 /nfs/dbraw/zinc/91/86/95/495918695.db2.gz LEPUDJSAZMZHNH-RTBURBONSA-N 2 2 359.945 3.182 20 30 FGEDLP C[C@@](O)(CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000187915626 496618292 /nfs/dbraw/zinc/61/82/92/496618292.db2.gz CNLNALAKMSZPAN-HSZRJFAPSA-N 2 2 363.505 3.410 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247088168 496776541 /nfs/dbraw/zinc/77/65/41/496776541.db2.gz NTNPXWIGFZFGJP-LNSLMDJYSA-N 2 2 374.573 3.256 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247088168 496776544 /nfs/dbraw/zinc/77/65/44/496776544.db2.gz NTNPXWIGFZFGJP-LNSLMDJYSA-N 2 2 374.573 3.256 20 30 FGEDLP Cc1ccccc1C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000191564767 496813692 /nfs/dbraw/zinc/81/36/92/496813692.db2.gz YWTQIUXDKPCFCW-QHCPKHFHSA-N 2 2 363.505 3.024 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)CC1 ZINC000237323545 497220231 /nfs/dbraw/zinc/22/02/31/497220231.db2.gz PHNBIFCGAPIBOU-UHFFFAOYSA-N 2 2 367.493 3.409 20 30 FGEDLP C[NH+]=C(NCCc1csc(C(C)C)n1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261953614 497482746 /nfs/dbraw/zinc/48/27/46/497482746.db2.gz IBZPBTUYVXJWPG-DOTOQJQBSA-N 2 2 374.558 3.164 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000329985694 497981173 /nfs/dbraw/zinc/98/11/73/497981173.db2.gz DMXOBMXILRMTNO-DOTOQJQBSA-N 2 2 369.513 3.378 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000329985694 497981175 /nfs/dbraw/zinc/98/11/75/497981175.db2.gz DMXOBMXILRMTNO-DOTOQJQBSA-N 2 2 369.513 3.378 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C1CCN(C([O-])=[NH+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000329985694 497981183 /nfs/dbraw/zinc/98/11/83/497981183.db2.gz DMXOBMXILRMTNO-DOTOQJQBSA-N 2 2 369.513 3.378 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C1CCN(C([O-])=[NH+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000329985694 497981185 /nfs/dbraw/zinc/98/11/85/497981185.db2.gz DMXOBMXILRMTNO-DOTOQJQBSA-N 2 2 369.513 3.378 20 30 FGEDLP Cc1cccc(NC2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)[nH+]1 ZINC000364593541 498040496 /nfs/dbraw/zinc/04/04/96/498040496.db2.gz AUTFKZJILQVXMM-INIZCTEOSA-N 2 2 363.465 3.165 20 30 FGEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285780213 498198875 /nfs/dbraw/zinc/19/88/75/498198875.db2.gz UDQCMOWLURPLIX-UHFFFAOYSA-N 2 2 359.477 3.475 20 30 FGEDLP Cc1cc[nH+]c(C)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000287413933 498747956 /nfs/dbraw/zinc/74/79/56/498747956.db2.gz FIWWMWBTWAWODE-UHFFFAOYSA-N 2 2 351.454 3.166 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000363567920 498882720 /nfs/dbraw/zinc/88/27/20/498882720.db2.gz LLVICWXEAIDGIZ-MRXNPFEDSA-N 2 2 371.510 3.433 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000363567920 498882724 /nfs/dbraw/zinc/88/27/24/498882724.db2.gz LLVICWXEAIDGIZ-MRXNPFEDSA-N 2 2 371.510 3.433 20 30 FGEDLP N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2c1 ZINC000370140277 499186703 /nfs/dbraw/zinc/18/67/03/499186703.db2.gz LMOBGLZLGJAHOF-KRWDZBQOSA-N 2 2 360.465 3.118 20 30 FGEDLP N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](c4[nH+]cc5n4CCCC5)C3)n2c1 ZINC000370140277 499186704 /nfs/dbraw/zinc/18/67/04/499186704.db2.gz LMOBGLZLGJAHOF-KRWDZBQOSA-N 2 2 360.465 3.118 20 30 FGEDLP C=CCC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372422703 499432859 /nfs/dbraw/zinc/43/28/59/499432859.db2.gz RYDYHKFUXVNYTD-FPOVZHCZSA-N 2 2 355.526 3.021 20 30 FGEDLP C=CCC[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372422703 499432860 /nfs/dbraw/zinc/43/28/60/499432860.db2.gz RYDYHKFUXVNYTD-FPOVZHCZSA-N 2 2 355.526 3.021 20 30 FGEDLP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]2CCCO[C@@H]21 ZINC000373184050 499455932 /nfs/dbraw/zinc/45/59/32/499455932.db2.gz BOVBWBOADFDKNU-NJYVYQBISA-N 2 2 353.510 3.316 20 30 FGEDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1ccc(OCC#N)cc1 ZINC000373187206 499456230 /nfs/dbraw/zinc/45/62/30/499456230.db2.gz UCBUKEQBCGMFRR-CDXJDZJCSA-N 2 2 367.497 3.056 20 30 FGEDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1ccc(OCC#N)cc1 ZINC000373187206 499456231 /nfs/dbraw/zinc/45/62/31/499456231.db2.gz UCBUKEQBCGMFRR-CDXJDZJCSA-N 2 2 367.497 3.056 20 30 FGEDLP C[N@H+](CC#Cc1ccccc1Cl)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940631 500214399 /nfs/dbraw/zinc/21/43/99/500214399.db2.gz XIUSHQLWTOWDTM-JOCHJYFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C[N@@H+](CC#Cc1ccccc1Cl)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940631 500214402 /nfs/dbraw/zinc/21/44/02/500214402.db2.gz XIUSHQLWTOWDTM-JOCHJYFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C[NH+](CC#Cc1ccccc1Cl)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425940631 500214404 /nfs/dbraw/zinc/21/44/04/500214404.db2.gz XIUSHQLWTOWDTM-JOCHJYFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C[NH+](CC#Cc1ccccc1Cl)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425940631 500214406 /nfs/dbraw/zinc/21/44/06/500214406.db2.gz XIUSHQLWTOWDTM-JOCHJYFZSA-N 2 2 368.908 3.260 20 30 FGEDLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1 ZINC000447540507 500620524 /nfs/dbraw/zinc/62/05/24/500620524.db2.gz JIAQWCGPSJWRAP-VABKMULXSA-N 2 2 363.505 3.482 20 30 FGEDLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1 ZINC000447540507 500620529 /nfs/dbraw/zinc/62/05/29/500620529.db2.gz JIAQWCGPSJWRAP-VABKMULXSA-N 2 2 363.505 3.482 20 30 FGEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)C[C@@H]1C ZINC000444229930 500820761 /nfs/dbraw/zinc/82/07/61/500820761.db2.gz XVLXKYCXKLHKQP-HOTGVXAUSA-N 2 2 360.527 3.045 20 30 FGEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)C[C@@H]1C ZINC000444229930 500820766 /nfs/dbraw/zinc/82/07/66/500820766.db2.gz XVLXKYCXKLHKQP-HOTGVXAUSA-N 2 2 360.527 3.045 20 30 FGEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)C[C@@H]1C ZINC000444229930 500820768 /nfs/dbraw/zinc/82/07/68/500820768.db2.gz XVLXKYCXKLHKQP-HOTGVXAUSA-N 2 2 360.527 3.045 20 30 FGEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C[C@@H]1C ZINC000444229930 500820770 /nfs/dbraw/zinc/82/07/70/500820770.db2.gz XVLXKYCXKLHKQP-HOTGVXAUSA-N 2 2 360.527 3.045 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)C(C)C ZINC000457754689 501301848 /nfs/dbraw/zinc/30/18/48/501301848.db2.gz RQOJTGJDLZRGJL-MSOLQXFVSA-N 2 2 373.545 3.211 20 30 FGEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000472772899 502437125 /nfs/dbraw/zinc/43/71/25/502437125.db2.gz NUSKAQYNPDUWSR-LJQANCHMSA-N 2 2 363.509 3.103 20 30 FGEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000472772899 502437128 /nfs/dbraw/zinc/43/71/28/502437128.db2.gz NUSKAQYNPDUWSR-LJQANCHMSA-N 2 2 363.509 3.103 20 30 FGEDLP C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466378796 502553014 /nfs/dbraw/zinc/55/30/14/502553014.db2.gz SECYROWFURQWST-YSIASYRMSA-N 2 2 364.578 3.320 20 30 FGEDLP C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466378796 502553015 /nfs/dbraw/zinc/55/30/15/502553015.db2.gz SECYROWFURQWST-YSIASYRMSA-N 2 2 364.578 3.320 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000469994045 502622767 /nfs/dbraw/zinc/62/27/67/502622767.db2.gz WTLIHCLYIFUBDE-SWLSCSKDSA-N 2 2 369.303 3.192 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000469994045 502622772 /nfs/dbraw/zinc/62/27/72/502622772.db2.gz WTLIHCLYIFUBDE-SWLSCSKDSA-N 2 2 369.303 3.192 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+](C)[C@@H](C)C[NH3+])cc1OCC ZINC000469998571 502625566 /nfs/dbraw/zinc/62/55/66/502625566.db2.gz FUVHKAJPFGJVCN-LBPRGKRZSA-N 2 2 357.292 3.192 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1OCC ZINC000469998571 502625570 /nfs/dbraw/zinc/62/55/70/502625570.db2.gz FUVHKAJPFGJVCN-LBPRGKRZSA-N 2 2 357.292 3.192 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000473910682 502746495 /nfs/dbraw/zinc/74/64/95/502746495.db2.gz HEEGHTGTRLQWSM-HNNXBMFYSA-N 2 2 359.433 3.407 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000473910682 502746499 /nfs/dbraw/zinc/74/64/99/502746499.db2.gz HEEGHTGTRLQWSM-HNNXBMFYSA-N 2 2 359.433 3.407 20 30 FGEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(Br)c1 ZINC000481122124 502760874 /nfs/dbraw/zinc/76/08/74/502760874.db2.gz VQQSHEPVXGVDMT-INIZCTEOSA-N 2 2 358.239 3.369 20 30 FGEDLP N#Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(Br)c1 ZINC000481122124 502760879 /nfs/dbraw/zinc/76/08/79/502760879.db2.gz VQQSHEPVXGVDMT-INIZCTEOSA-N 2 2 358.239 3.369 20 30 FGEDLP N#CC1(F)CC[NH+](Cc2ccccc2C[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000510951171 503223539 /nfs/dbraw/zinc/22/35/39/503223539.db2.gz VRCSATNRNOIZPI-UHFFFAOYSA-N 2 2 358.436 3.342 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512287269 503510400 /nfs/dbraw/zinc/51/04/00/503510400.db2.gz SBTHGWIVRNTGHY-NZQKXSOJSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512287269 503510404 /nfs/dbraw/zinc/51/04/04/503510404.db2.gz SBTHGWIVRNTGHY-NZQKXSOJSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512287269 503510409 /nfs/dbraw/zinc/51/04/09/503510409.db2.gz SBTHGWIVRNTGHY-NZQKXSOJSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512287269 503510413 /nfs/dbraw/zinc/51/04/13/503510413.db2.gz SBTHGWIVRNTGHY-NZQKXSOJSA-N 2 2 369.553 3.398 20 30 FGEDLP C=CC[C@@H](CO)C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000540328837 503737948 /nfs/dbraw/zinc/73/79/48/503737948.db2.gz UYSWBKSNUMSURY-LJQANCHMSA-N 2 2 365.477 3.496 20 30 FGEDLP N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000542465190 504500639 /nfs/dbraw/zinc/50/06/39/504500639.db2.gz XDPUNQVBOYOBAK-HXUWFJFHSA-N 2 2 363.490 3.316 20 30 FGEDLP C[NH+](C)CCN(Cc1c[nH+]c2ccc(C#N)cn12)Cc1ccc(F)cc1F ZINC000562903590 504981621 /nfs/dbraw/zinc/98/16/21/504981621.db2.gz CQCPCJUIRRVGHI-UHFFFAOYSA-N 2 2 369.419 3.048 20 30 FGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582729185 506387053 /nfs/dbraw/zinc/38/70/53/506387053.db2.gz CKLXUPTWLBDONE-OXQOHEQNSA-N 2 2 364.449 3.467 20 30 FGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582729185 506387059 /nfs/dbraw/zinc/38/70/59/506387059.db2.gz CKLXUPTWLBDONE-OXQOHEQNSA-N 2 2 364.449 3.467 20 30 FGEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCc4c(CC#N)cccc4C3)c2cc1C ZINC000599679448 506574393 /nfs/dbraw/zinc/57/43/93/506574393.db2.gz SIPIBDYQJKIGLS-HXUWFJFHSA-N 2 2 374.488 3.138 20 30 FGEDLP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCc4c(CC#N)cccc4C3)c2cc1C ZINC000599679448 506574395 /nfs/dbraw/zinc/57/43/95/506574395.db2.gz SIPIBDYQJKIGLS-HXUWFJFHSA-N 2 2 374.488 3.138 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccnn3-c3ccccc3)CC2)c1 ZINC000593692298 506733750 /nfs/dbraw/zinc/73/37/50/506733750.db2.gz ACUBQQMWVVEPJR-UHFFFAOYSA-N 2 2 371.488 3.498 20 30 FGEDLP COc1cccc(OC)c1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593692794 506734128 /nfs/dbraw/zinc/73/41/28/506734128.db2.gz KGCUJUHVIIYELM-UHFFFAOYSA-N 2 2 365.477 3.330 20 30 FGEDLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CC[NH+](Cc4cccc(C#N)c4)CC3)C[C@H]2C1 ZINC000593695028 506736054 /nfs/dbraw/zinc/73/60/54/506736054.db2.gz FVEOLOBSLLFRNL-ZIEJVCCYSA-N 2 2 353.510 3.316 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083439 507105529 /nfs/dbraw/zinc/10/55/29/507105529.db2.gz VXCYKALFEBPANA-MRXNPFEDSA-N 2 2 356.495 3.437 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083439 507105537 /nfs/dbraw/zinc/10/55/37/507105537.db2.gz VXCYKALFEBPANA-MRXNPFEDSA-N 2 2 356.495 3.437 20 30 FGEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ncc(C#N)c4ccsc43)CC2)CC1 ZINC000601175835 507287486 /nfs/dbraw/zinc/28/74/86/507287486.db2.gz QWJMCGAHYHBIFJ-UHFFFAOYSA-N 2 2 369.538 3.164 20 30 FGEDLP CC[NH+]1CCC([N@H+]2CCCN(c3ncc(C#N)c4ccsc43)CC2)CC1 ZINC000601175835 507287492 /nfs/dbraw/zinc/28/74/92/507287492.db2.gz QWJMCGAHYHBIFJ-UHFFFAOYSA-N 2 2 369.538 3.164 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000182640349 705854329 /nfs/dbraw/zinc/85/43/29/705854329.db2.gz DQAMONNYXXUGHK-WMZOPIPTSA-N 2 2 351.535 3.405 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901157 718385220 /nfs/dbraw/zinc/38/52/20/718385220.db2.gz JPZGDHOHAUFMLI-SCTDSRPQSA-N 2 2 361.555 3.115 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901157 718385223 /nfs/dbraw/zinc/38/52/23/718385223.db2.gz JPZGDHOHAUFMLI-SCTDSRPQSA-N 2 2 361.555 3.115 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000740861255 722538595 /nfs/dbraw/zinc/53/85/95/722538595.db2.gz MFOXHXLAZDZJNX-IRXDYDNUSA-N 2 2 363.575 3.316 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1=S ZINC000740861255 722538596 /nfs/dbraw/zinc/53/85/96/722538596.db2.gz MFOXHXLAZDZJNX-IRXDYDNUSA-N 2 2 363.575 3.316 20 30 FGEDLP C[NH+]=C(NCc1ccco1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000849024079 731223968 /nfs/dbraw/zinc/22/39/68/731223968.db2.gz GTJMKAIBVJNLTE-GOSISDBHSA-N 2 2 360.889 3.435 20 30 FGEDLP C[C@@]1(Br)C[C@H]1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000895186715 742384814 /nfs/dbraw/zinc/38/48/14/742384814.db2.gz ALDFNHPHYXVSFL-FUHWJXTLSA-N 2 2 362.315 3.286 20 30 FGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000080961751 493801856 /nfs/dbraw/zinc/80/18/56/493801856.db2.gz COWHBVLMIAFKEA-SFHVURJKSA-N 2 2 365.481 3.153 20 30 FGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000080961751 493801861 /nfs/dbraw/zinc/80/18/61/493801861.db2.gz COWHBVLMIAFKEA-SFHVURJKSA-N 2 2 365.481 3.153 20 30 FGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H](C)C1 ZINC000081097022 493830887 /nfs/dbraw/zinc/83/08/87/493830887.db2.gz ONBUUYZMKJOBSA-UYAOXDASSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H](C)C1 ZINC000081097022 493830890 /nfs/dbraw/zinc/83/08/90/493830890.db2.gz ONBUUYZMKJOBSA-UYAOXDASSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H](C)C1 ZINC000081097022 493830894 /nfs/dbraw/zinc/83/08/94/493830894.db2.gz ONBUUYZMKJOBSA-UYAOXDASSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H](C)C1 ZINC000081097022 493830898 /nfs/dbraw/zinc/83/08/98/493830898.db2.gz ONBUUYZMKJOBSA-UYAOXDASSA-N 2 2 370.541 3.212 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2N2CC[NH+](CCC)CC2)CC1 ZINC000088716141 494256698 /nfs/dbraw/zinc/25/66/98/494256698.db2.gz ZSASGQGLNYWSBT-UHFFFAOYSA-N 3 2 370.585 3.349 20 30 FGEDLP COc1cc(C#N)ccc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000121155851 494622098 /nfs/dbraw/zinc/62/20/98/494622098.db2.gz SDRJZEPOJXLOCW-UHFFFAOYSA-N 2 2 364.493 3.101 20 30 FGEDLP COc1cc(C#N)ccc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000121155851 494622104 /nfs/dbraw/zinc/62/21/04/494622104.db2.gz SDRJZEPOJXLOCW-UHFFFAOYSA-N 2 2 364.493 3.101 20 30 FGEDLP C=CCC[C@H](CCC)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119061558 495082677 /nfs/dbraw/zinc/08/26/77/495082677.db2.gz SWCXPASIDMPEGW-OALUTQOASA-N 2 2 373.545 3.007 20 30 FGEDLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)C2 ZINC000113331913 495297841 /nfs/dbraw/zinc/29/78/41/495297841.db2.gz BWDUDDABVAXIFB-LJQANCHMSA-N 2 2 360.465 3.073 20 30 FGEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000106214083 495433246 /nfs/dbraw/zinc/43/32/46/495433246.db2.gz LKDQECOEBQXZGD-GOEBONIOSA-N 2 2 369.469 3.191 20 30 FGEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000106214083 495433248 /nfs/dbraw/zinc/43/32/48/495433248.db2.gz LKDQECOEBQXZGD-GOEBONIOSA-N 2 2 369.469 3.191 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000106244910 495439796 /nfs/dbraw/zinc/43/97/96/495439796.db2.gz ZRZYOGRQSKVYSV-UHFFFAOYSA-N 2 2 355.385 3.326 20 30 FGEDLP N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1Cl ZINC000154168450 495533209 /nfs/dbraw/zinc/53/32/09/495533209.db2.gz IWQPJKLPWBMEFR-QGZVFWFLSA-N 2 2 370.840 3.089 20 30 FGEDLP CC[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160061510 495876016 /nfs/dbraw/zinc/87/60/16/495876016.db2.gz LRKGDOVMQOIKBU-JKSUJKDBSA-N 2 2 372.517 3.217 20 30 FGEDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177087203 495918222 /nfs/dbraw/zinc/91/82/22/495918222.db2.gz LEPUDJSAZMZHNH-OALUTQOASA-N 2 2 359.945 3.182 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000177910725 496248275 /nfs/dbraw/zinc/24/82/75/496248275.db2.gz SCCSTONXJQPYCM-MRXNPFEDSA-N 2 2 363.933 3.317 20 30 FGEDLP CCc1nc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000181656624 496489384 /nfs/dbraw/zinc/48/93/84/496489384.db2.gz OYIVOGRRIHGTNR-UHFFFAOYSA-N 2 2 354.523 3.374 20 30 FGEDLP Cc1noc(C)c1C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181779220 496541513 /nfs/dbraw/zinc/54/15/13/496541513.db2.gz CGGUUEQPGVBAQR-OAHLLOKOSA-N 2 2 352.482 3.348 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CCO)C3CCCCC3)CC2)cc1 ZINC000181912459 496597844 /nfs/dbraw/zinc/59/78/44/496597844.db2.gz LIRJVYSUQKKWJL-QFIPXVFZSA-N 2 2 355.526 3.444 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246984410 496743072 /nfs/dbraw/zinc/74/30/72/496743072.db2.gz LBSRBJCURJZARP-NJNPRVFISA-N 2 2 364.493 3.373 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246984410 496743077 /nfs/dbraw/zinc/74/30/77/496743077.db2.gz LBSRBJCURJZARP-NJNPRVFISA-N 2 2 364.493 3.373 20 30 FGEDLP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000188661344 496869372 /nfs/dbraw/zinc/86/93/72/496869372.db2.gz BSTHSMSYIKZPPP-QFIPXVFZSA-N 2 2 355.526 3.444 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266765157 497415161 /nfs/dbraw/zinc/41/51/61/497415161.db2.gz RDDFTWHFUCCPKA-KRWDZBQOSA-N 2 2 365.481 3.233 20 30 FGEDLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C#N)c(F)c1 ZINC000272162835 497552924 /nfs/dbraw/zinc/55/29/24/497552924.db2.gz BXXZSICPUOJPQJ-KDOFPFPSSA-N 2 2 353.445 3.406 20 30 FGEDLP C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245923920 497572879 /nfs/dbraw/zinc/57/28/79/497572879.db2.gz HJPNRZYLPSLHCX-OXQOHEQNSA-N 2 2 360.465 3.238 20 30 FGEDLP C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245923920 497572884 /nfs/dbraw/zinc/57/28/84/497572884.db2.gz HJPNRZYLPSLHCX-OXQOHEQNSA-N 2 2 360.465 3.238 20 30 FGEDLP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329975571 497977095 /nfs/dbraw/zinc/97/70/95/497977095.db2.gz DTNQWJMHGMDZAU-OALUTQOASA-N 2 2 367.497 3.025 20 30 FGEDLP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000329975571 497977102 /nfs/dbraw/zinc/97/71/02/497977102.db2.gz DTNQWJMHGMDZAU-OALUTQOASA-N 2 2 367.497 3.025 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292996289 498227958 /nfs/dbraw/zinc/22/79/58/498227958.db2.gz OLDDESHXHJLEJN-SIKLNZKXSA-N 2 2 368.525 3.048 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292996289 498227963 /nfs/dbraw/zinc/22/79/63/498227963.db2.gz OLDDESHXHJLEJN-SIKLNZKXSA-N 2 2 368.525 3.048 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292996289 498227969 /nfs/dbraw/zinc/22/79/69/498227969.db2.gz OLDDESHXHJLEJN-SIKLNZKXSA-N 2 2 368.525 3.048 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292996289 498227974 /nfs/dbraw/zinc/22/79/74/498227974.db2.gz OLDDESHXHJLEJN-SIKLNZKXSA-N 2 2 368.525 3.048 20 30 FGEDLP Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c[nH+]c1N1CCCC[C@@H]1C ZINC000329262983 499086547 /nfs/dbraw/zinc/08/65/47/499086547.db2.gz BJBOPBABORRUGL-UHOSZYNNSA-N 2 2 371.529 3.483 20 30 FGEDLP Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c[nH+]c1N1CCCC[C@@H]1C ZINC000329262983 499086549 /nfs/dbraw/zinc/08/65/49/499086549.db2.gz BJBOPBABORRUGL-UHOSZYNNSA-N 2 2 371.529 3.483 20 30 FGEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000582154070 506145203 /nfs/dbraw/zinc/14/52/03/506145203.db2.gz ZZYVQBOYLITBHQ-UHFFFAOYSA-N 2 2 368.447 3.035 20 30 FGEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000582154070 506145205 /nfs/dbraw/zinc/14/52/05/506145205.db2.gz ZZYVQBOYLITBHQ-UHFFFAOYSA-N 2 2 368.447 3.035 20 30 FGEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc1 ZINC000375828514 499559709 /nfs/dbraw/zinc/55/97/09/499559709.db2.gz FOZWIMGJEOJLSO-JLMWRMLUSA-N 2 2 366.509 3.166 20 30 FGEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc1 ZINC000375828514 499559711 /nfs/dbraw/zinc/55/97/11/499559711.db2.gz FOZWIMGJEOJLSO-JLMWRMLUSA-N 2 2 366.509 3.166 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](CO)c3ccc(F)cc3)CC2)cc1 ZINC000414286667 499774484 /nfs/dbraw/zinc/77/44/84/499774484.db2.gz JLPMYYIHMODHHS-FQEVSTJZSA-N 2 2 367.468 3.027 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000414922411 499844872 /nfs/dbraw/zinc/84/48/72/499844872.db2.gz GBBOUSAMWWPENN-WFASDCNBSA-N 2 2 369.303 3.110 20 30 FGEDLP Cc1cc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C#N)cc1[N+](=O)[O-] ZINC000413181745 499923496 /nfs/dbraw/zinc/92/34/96/499923496.db2.gz WUNJEQHDUOYNKE-UHFFFAOYSA-N 2 2 371.485 3.137 20 30 FGEDLP C=CC[C@@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422019324 500199098 /nfs/dbraw/zinc/19/90/98/500199098.db2.gz LLXDXZUVBVOGGI-JOCHJYFZSA-N 2 2 369.553 3.365 20 30 FGEDLP C=CC[C@@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422019324 500199100 /nfs/dbraw/zinc/19/91/00/500199100.db2.gz LLXDXZUVBVOGGI-JOCHJYFZSA-N 2 2 369.553 3.365 20 30 FGEDLP COc1cc(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)ccc1C#N ZINC000440809109 501051295 /nfs/dbraw/zinc/05/12/95/501051295.db2.gz LSPMQJVZVXJNAX-UHFFFAOYSA-N 2 2 353.441 3.460 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000596058103 506233014 /nfs/dbraw/zinc/23/30/14/506233014.db2.gz CUCPFRQQSYRPLM-QFIPXVFZSA-N 3 2 366.553 3.234 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000596058103 506233021 /nfs/dbraw/zinc/23/30/21/506233021.db2.gz CUCPFRQQSYRPLM-QFIPXVFZSA-N 3 2 366.553 3.234 20 30 FGEDLP C=C(C)C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)Cc1ccccc1 ZINC000470919288 501856158 /nfs/dbraw/zinc/85/61/58/501856158.db2.gz SHNUDZGYJUGPIZ-UHFFFAOYSA-N 2 2 367.493 3.002 20 30 FGEDLP C=C(C)C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)Cc1ccccc1 ZINC000470919288 501856165 /nfs/dbraw/zinc/85/61/65/501856165.db2.gz SHNUDZGYJUGPIZ-UHFFFAOYSA-N 2 2 367.493 3.002 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000478032933 501859946 /nfs/dbraw/zinc/85/99/46/501859946.db2.gz YTANUBGYJDALBV-ROUUACIJSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000478032933 501859955 /nfs/dbraw/zinc/85/99/55/501859955.db2.gz YTANUBGYJDALBV-ROUUACIJSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000478032933 501859960 /nfs/dbraw/zinc/85/99/60/501859960.db2.gz YTANUBGYJDALBV-ROUUACIJSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000478032933 501859968 /nfs/dbraw/zinc/85/99/68/501859968.db2.gz YTANUBGYJDALBV-ROUUACIJSA-N 2 2 363.571 3.315 20 30 FGEDLP Cc1[nH+]ccn1CCC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471010404 501890648 /nfs/dbraw/zinc/89/06/48/501890648.db2.gz WALKGGSNARVVJS-IBGZPJMESA-N 2 2 357.889 3.118 20 30 FGEDLP C=CC[NH+]1CCC(Nc2c(C(=O)OCC)c[nH+]c3ccc(C)cc32)CC1 ZINC000462827032 502590313 /nfs/dbraw/zinc/59/03/13/502590313.db2.gz SCZPBBYOWGZNFV-UHFFFAOYSA-N 2 2 353.466 3.204 20 30 FGEDLP C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000533295902 503795337 /nfs/dbraw/zinc/79/53/37/503795337.db2.gz NDKHOHANLKFGBS-IRXDYDNUSA-N 2 2 374.554 3.150 20 30 FGEDLP C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000533295902 503795340 /nfs/dbraw/zinc/79/53/40/503795340.db2.gz NDKHOHANLKFGBS-IRXDYDNUSA-N 2 2 374.554 3.150 20 30 FGEDLP C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000533295902 503795344 /nfs/dbraw/zinc/79/53/44/503795344.db2.gz NDKHOHANLKFGBS-IRXDYDNUSA-N 2 2 374.554 3.150 20 30 FGEDLP C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000533295902 503795348 /nfs/dbraw/zinc/79/53/48/503795348.db2.gz NDKHOHANLKFGBS-IRXDYDNUSA-N 2 2 374.554 3.150 20 30 FGEDLP C[NH+](C)C1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)Cc2ccccc2C1 ZINC000560526960 505115776 /nfs/dbraw/zinc/11/57/76/505115776.db2.gz JMUHAOJNGIGJJF-UHFFFAOYSA-N 2 2 374.532 3.216 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157723 506797106 /nfs/dbraw/zinc/79/71/06/506797106.db2.gz SAQWJVHLUJCVAY-BBRMVZONSA-N 2 2 357.845 3.072 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157723 506797116 /nfs/dbraw/zinc/79/71/16/506797116.db2.gz SAQWJVHLUJCVAY-BBRMVZONSA-N 2 2 357.845 3.072 20 30 FGEDLP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000613453168 507098765 /nfs/dbraw/zinc/09/87/65/507098765.db2.gz HWJDRRCNNWZTCK-NRFANRHFSA-N 2 2 358.526 3.105 20 30 FGEDLP N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000591083608 507106228 /nfs/dbraw/zinc/10/62/28/507106228.db2.gz ZTHKLOJXTCNJIW-QGZVFWFLSA-N 2 2 361.449 3.271 20 30 FGEDLP N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000591083608 507106231 /nfs/dbraw/zinc/10/62/31/507106231.db2.gz ZTHKLOJXTCNJIW-QGZVFWFLSA-N 2 2 361.449 3.271 20 30 FGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000602510657 507731957 /nfs/dbraw/zinc/73/19/57/507731957.db2.gz LJISUAISKVORQL-QGZVFWFLSA-N 2 2 351.560 3.037 20 30 FGEDLP N#CC1CCC([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000602518942 507735192 /nfs/dbraw/zinc/73/51/92/507735192.db2.gz AMAMXEKXXVABSY-UHFFFAOYSA-N 2 2 354.542 3.256 20 30 FGEDLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(CC#N)cc[nH+]3)C[C@@H]21 ZINC001165028334 721819146 /nfs/dbraw/zinc/81/91/46/721819146.db2.gz XNWKRTZPHBIHLD-SESVDKBCSA-N 2 2 361.493 3.280 20 30 FGEDLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(CC#N)cc[nH+]3)C[C@@H]21 ZINC001165028334 721819148 /nfs/dbraw/zinc/81/91/48/721819148.db2.gz XNWKRTZPHBIHLD-SESVDKBCSA-N 2 2 361.493 3.280 20 30 FGEDLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000742392211 722556728 /nfs/dbraw/zinc/55/67/28/722556728.db2.gz NPIUISWYDUWYFT-UHFFFAOYSA-N 2 2 354.885 3.253 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]C[C@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000819022546 727339179 /nfs/dbraw/zinc/33/91/79/727339179.db2.gz QVSLNNFVKDVNFJ-KRWDZBQOSA-N 2 2 371.294 3.036 20 30 FGEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000093017040 494809955 /nfs/dbraw/zinc/80/99/55/494809955.db2.gz TZYOWEPLFFFUPR-SFHVURJKSA-N 2 2 364.917 3.449 20 30 FGEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000093017040 494809963 /nfs/dbraw/zinc/80/99/63/494809963.db2.gz TZYOWEPLFFFUPR-SFHVURJKSA-N 2 2 364.917 3.449 20 30 FGEDLP C=CCC[C@@H](CCC)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119061450 495082669 /nfs/dbraw/zinc/08/26/69/495082669.db2.gz SWCXPASIDMPEGW-RTBURBONSA-N 2 2 373.545 3.007 20 30 FGEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)c1 ZINC000135192444 495261428 /nfs/dbraw/zinc/26/14/28/495261428.db2.gz KUEZVFYJXTWJOO-UHFFFAOYSA-N 2 2 350.466 3.214 20 30 FGEDLP CC(C)[NH2+]C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000179832348 495753082 /nfs/dbraw/zinc/75/30/82/495753082.db2.gz HDTLNLRNFDEUAD-UHFFFAOYSA-N 2 2 351.498 3.426 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)cc1 ZINC000183271004 495909984 /nfs/dbraw/zinc/90/99/84/495909984.db2.gz NGCZPIDGOUWVCB-FKBYEOEOSA-N 2 2 365.521 3.460 20 30 FGEDLP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000171691627 495990495 /nfs/dbraw/zinc/99/04/95/495990495.db2.gz LTCABBZQWYUZMX-UHFFFAOYSA-N 2 2 374.554 3.290 20 30 FGEDLP C[NH+](C)[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181406996 496382149 /nfs/dbraw/zinc/38/21/49/496382149.db2.gz PSVUCBMFFQNZFF-QHCPKHFHSA-N 2 2 362.521 3.415 20 30 FGEDLP CN(C)[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181406996 496382152 /nfs/dbraw/zinc/38/21/52/496382152.db2.gz PSVUCBMFFQNZFF-QHCPKHFHSA-N 2 2 362.521 3.415 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000181417338 496386635 /nfs/dbraw/zinc/38/66/35/496386635.db2.gz YHJMDDNJEGEUPS-UHFFFAOYSA-N 2 2 363.461 3.084 20 30 FGEDLP NC(=[NH+]OCc1nccn1C(F)F)c1ccccc1C[NH+]1CCCCC1 ZINC000157110413 496408345 /nfs/dbraw/zinc/40/83/45/496408345.db2.gz VYNXMMXINPDNDC-UHFFFAOYSA-N 2 2 363.412 3.101 20 30 FGEDLP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000181788733 496545058 /nfs/dbraw/zinc/54/50/58/496545058.db2.gz IYDBMVSKFYCXQV-FQEVSTJZSA-N 2 2 355.507 3.081 20 30 FGEDLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000182045571 496647898 /nfs/dbraw/zinc/64/78/98/496647898.db2.gz KNXYQGCKCSKFCK-QFIPXVFZSA-N 3 2 368.569 3.480 20 30 FGEDLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000182045571 496647903 /nfs/dbraw/zinc/64/79/03/496647903.db2.gz KNXYQGCKCSKFCK-QFIPXVFZSA-N 3 2 368.569 3.480 20 30 FGEDLP COc1ccc(NC(=[NH2+])NCCCn2c(C)[nH+]c3ccccc32)cc1OC ZINC000264067944 496804052 /nfs/dbraw/zinc/80/40/52/496804052.db2.gz FLBNWWRLVYTRNS-UHFFFAOYSA-N 2 2 367.453 3.179 20 30 FGEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)c1ccco1 ZINC000264094724 496810815 /nfs/dbraw/zinc/81/08/15/496810815.db2.gz MCIBEWKOXQXXCY-HNNXBMFYSA-N 2 2 360.458 3.107 20 30 FGEDLP N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3[nH]cc[nH+]3)CC1)CCC2 ZINC000265475556 497126118 /nfs/dbraw/zinc/12/61/18/497126118.db2.gz JGSXAEMPKZXGJF-UHFFFAOYSA-N 2 2 369.494 3.040 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)C(C)C ZINC000252664104 497316931 /nfs/dbraw/zinc/31/69/31/497316931.db2.gz UVHYVERUBIYFMU-ZCNNSNEGSA-N 2 2 373.545 3.174 20 30 FGEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H](C)C1 ZINC000245432262 497402086 /nfs/dbraw/zinc/40/20/86/497402086.db2.gz ONBUUYZMKJOBSA-ICSRJNTNSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H](C)C1 ZINC000245432262 497402094 /nfs/dbraw/zinc/40/20/94/497402094.db2.gz ONBUUYZMKJOBSA-ICSRJNTNSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H](C)C1 ZINC000245432262 497402095 /nfs/dbraw/zinc/40/20/95/497402095.db2.gz ONBUUYZMKJOBSA-ICSRJNTNSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H](C)C1 ZINC000245432262 497402102 /nfs/dbraw/zinc/40/21/02/497402102.db2.gz ONBUUYZMKJOBSA-ICSRJNTNSA-N 2 2 370.541 3.212 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245563655 497458440 /nfs/dbraw/zinc/45/84/40/497458440.db2.gz CZAXIDLGIZUVQB-TUKJNDCMSA-N 2 2 371.529 3.085 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245563655 497458443 /nfs/dbraw/zinc/45/84/43/497458443.db2.gz CZAXIDLGIZUVQB-TUKJNDCMSA-N 2 2 371.529 3.085 20 30 FGEDLP N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000268286076 497719677 /nfs/dbraw/zinc/71/96/77/497719677.db2.gz CGRCJCHFZZDFGJ-OAHLLOKOSA-N 2 2 371.872 3.189 20 30 FGEDLP N#CCCN(C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000268286076 497719681 /nfs/dbraw/zinc/71/96/81/497719681.db2.gz CGRCJCHFZZDFGJ-OAHLLOKOSA-N 2 2 371.872 3.189 20 30 FGEDLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329749703 497888138 /nfs/dbraw/zinc/88/81/38/497888138.db2.gz UMJZWHLTCAWQHK-SJLPKXTDSA-N 2 2 373.545 3.158 20 30 FGEDLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329749703 497888148 /nfs/dbraw/zinc/88/81/48/497888148.db2.gz UMJZWHLTCAWQHK-SJLPKXTDSA-N 2 2 373.545 3.158 20 30 FGEDLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329749703 497888155 /nfs/dbraw/zinc/88/81/55/497888155.db2.gz UMJZWHLTCAWQHK-SJLPKXTDSA-N 2 2 373.545 3.158 20 30 FGEDLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329749703 497888159 /nfs/dbraw/zinc/88/81/59/497888159.db2.gz UMJZWHLTCAWQHK-SJLPKXTDSA-N 2 2 373.545 3.158 20 30 FGEDLP Cc1cc(N2CCC([N@H+](C)Cc3ccc(C#N)o3)CC2)nc(C(C)C)[nH+]1 ZINC000360076970 498243973 /nfs/dbraw/zinc/24/39/73/498243973.db2.gz RVXMIJXWCIPSLL-UHFFFAOYSA-N 2 2 353.470 3.474 20 30 FGEDLP Cc1cc(N2CCC([N@@H+](C)Cc3ccc(C#N)o3)CC2)nc(C(C)C)[nH+]1 ZINC000360076970 498243978 /nfs/dbraw/zinc/24/39/78/498243978.db2.gz RVXMIJXWCIPSLL-UHFFFAOYSA-N 2 2 353.470 3.474 20 30 FGEDLP CC1CC[NH+](CC2CC[NH+](CC(=O)Nc3sccc3C#N)CC2)CC1 ZINC000360237084 498259302 /nfs/dbraw/zinc/25/93/02/498259302.db2.gz IASXNGHEDQBQLI-UHFFFAOYSA-N 2 2 360.527 3.002 20 30 FGEDLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000365476972 498487229 /nfs/dbraw/zinc/48/72/29/498487229.db2.gz NJARFHPSOOBRHX-DDUZABMNSA-N 2 2 365.880 3.330 20 30 FGEDLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000365476972 498487235 /nfs/dbraw/zinc/48/72/35/498487235.db2.gz NJARFHPSOOBRHX-DDUZABMNSA-N 2 2 365.880 3.330 20 30 FGEDLP Cc1cc(N2CCC([N@H+](C)Cc3ccc(F)cc3C#N)CC2)nc(C)[nH+]1 ZINC000363635670 498918077 /nfs/dbraw/zinc/91/80/77/498918077.db2.gz KWTVOKQFJSWBLB-UHFFFAOYSA-N 2 2 353.445 3.205 20 30 FGEDLP Cc1cc(N2CCC([N@@H+](C)Cc3ccc(F)cc3C#N)CC2)nc(C)[nH+]1 ZINC000363635670 498918080 /nfs/dbraw/zinc/91/80/80/498918080.db2.gz KWTVOKQFJSWBLB-UHFFFAOYSA-N 2 2 353.445 3.205 20 30 FGEDLP Cc1ccc(C2CCN(C([O-])=[NH+]C[C@H]3CCCn4cc[nH+]c43)CC2)c[nH+]1 ZINC000329343457 499104070 /nfs/dbraw/zinc/10/40/70/499104070.db2.gz TVLNUWMHAFIEFI-GOSISDBHSA-N 2 2 353.470 3.258 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc(F)cc3C#N)[C@H](C)C2)s1 ZINC000368965606 499351329 /nfs/dbraw/zinc/35/13/29/499351329.db2.gz LGFDUBXIZSPBNK-YJYMSZOUSA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc(F)cc3C#N)[C@H](C)C2)s1 ZINC000368965606 499351330 /nfs/dbraw/zinc/35/13/30/499351330.db2.gz LGFDUBXIZSPBNK-YJYMSZOUSA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)CCC2 ZINC000373200543 499457020 /nfs/dbraw/zinc/45/70/20/499457020.db2.gz HRMCEYPVMAVCAX-GOSISDBHSA-N 2 2 360.465 3.131 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CC#Cc3ccc(F)cc3)[C@@H](C)C2)s1 ZINC000375505182 499526778 /nfs/dbraw/zinc/52/67/78/499526778.db2.gz ANSAARNSHRGXQN-MGPUTAFESA-N 2 2 357.498 3.442 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CC#Cc3ccc(F)cc3)[C@@H](C)C2)s1 ZINC000375505182 499526779 /nfs/dbraw/zinc/52/67/79/499526779.db2.gz ANSAARNSHRGXQN-MGPUTAFESA-N 2 2 357.498 3.442 20 30 FGEDLP C=CCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000375788346 499556011 /nfs/dbraw/zinc/55/60/11/499556011.db2.gz AAPUCFGYPOWEIJ-WIYYLYMNSA-N 2 2 354.498 3.158 20 30 FGEDLP C=CCOc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000375788346 499556013 /nfs/dbraw/zinc/55/60/13/499556013.db2.gz AAPUCFGYPOWEIJ-WIYYLYMNSA-N 2 2 354.498 3.158 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000377089338 499660956 /nfs/dbraw/zinc/66/09/56/499660956.db2.gz HCBGTJUGVUHOPV-FUHWJXTLSA-N 2 2 351.535 3.262 20 30 FGEDLP C[NH+](C)C1CC[NH+](CCNc2c(C#N)cnc3c(Cl)cccc32)CC1 ZINC000570393270 506158021 /nfs/dbraw/zinc/15/80/21/506158021.db2.gz UTNFOUUXBSULNH-UHFFFAOYSA-N 2 2 357.889 3.198 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1OCC ZINC000415015009 499855148 /nfs/dbraw/zinc/85/51/48/499855148.db2.gz XNQXDVKBZIOQKM-RYUDHWBXSA-N 2 2 357.292 3.238 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1OC ZINC000415037966 499856885 /nfs/dbraw/zinc/85/68/85/499856885.db2.gz LPWXBGMGMXKRKZ-OAHLLOKOSA-N 2 2 369.303 3.253 20 30 FGEDLP CN(C(=O)c1cscc1C#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000570417204 506163906 /nfs/dbraw/zinc/16/39/06/506163906.db2.gz UBUJVSCLPAEDLY-MOPGFXCFSA-N 2 2 374.554 3.029 20 30 FGEDLP CN(C(=O)c1cscc1C#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000570417204 506163909 /nfs/dbraw/zinc/16/39/09/506163909.db2.gz UBUJVSCLPAEDLY-MOPGFXCFSA-N 2 2 374.554 3.029 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431616262 500398830 /nfs/dbraw/zinc/39/88/30/500398830.db2.gz FBOXVDSSPLPLGX-AEFFLSMTSA-N 2 2 371.506 3.200 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431616262 500398831 /nfs/dbraw/zinc/39/88/31/500398831.db2.gz FBOXVDSSPLPLGX-AEFFLSMTSA-N 2 2 371.506 3.200 20 30 FGEDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H](C#N)C3)CC2)cc1 ZINC000449521796 501023821 /nfs/dbraw/zinc/02/38/21/501023821.db2.gz HPAJLBSEDZOQGG-RXVVDRJESA-N 2 2 354.498 3.281 20 30 FGEDLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000482145944 501988768 /nfs/dbraw/zinc/98/87/68/501988768.db2.gz PFZJNULUJIVWNW-SJLPKXTDSA-N 2 2 360.502 3.197 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000472125662 502241790 /nfs/dbraw/zinc/24/17/90/502241790.db2.gz GOPRSEYFLGAXGH-QGZVFWFLSA-N 2 2 369.509 3.081 20 30 FGEDLP N#CC1(F)CC[NH+](Cc2cccc(C[NH+]3CCC(F)(C#N)CC3)c2)CC1 ZINC000510955294 503224642 /nfs/dbraw/zinc/22/46/42/503224642.db2.gz WWENWYIZMOKWAX-UHFFFAOYSA-N 2 2 358.436 3.342 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512292603 503511219 /nfs/dbraw/zinc/51/12/19/503511219.db2.gz QHUZFCGRMXHNGN-NFBKMPQASA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512292603 503511223 /nfs/dbraw/zinc/51/12/23/503511223.db2.gz QHUZFCGRMXHNGN-NFBKMPQASA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512292603 503511228 /nfs/dbraw/zinc/51/12/28/503511228.db2.gz QHUZFCGRMXHNGN-NFBKMPQASA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512292603 503511234 /nfs/dbraw/zinc/51/12/34/503511234.db2.gz QHUZFCGRMXHNGN-NFBKMPQASA-N 2 2 367.537 3.174 20 30 FGEDLP N#Cc1ccc(N2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)c(F)c1 ZINC000544348314 504098785 /nfs/dbraw/zinc/09/87/85/504098785.db2.gz IYKFKCSONUHIMJ-UHFFFAOYSA-N 2 2 367.453 3.267 20 30 FGEDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000562380774 504800958 /nfs/dbraw/zinc/80/09/58/504800958.db2.gz DZVJLNIYKVZBIZ-UHFFFAOYSA-N 2 2 354.454 3.016 20 30 FGEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000562380774 504800961 /nfs/dbraw/zinc/80/09/61/504800961.db2.gz DZVJLNIYKVZBIZ-UHFFFAOYSA-N 2 2 354.454 3.016 20 30 FGEDLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552238871 505437184 /nfs/dbraw/zinc/43/71/84/505437184.db2.gz LZOIPBSRJLIJLG-JOCHJYFZSA-N 2 2 362.521 3.290 20 30 FGEDLP C[C@@H](O)[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000567507678 505484039 /nfs/dbraw/zinc/48/40/39/505484039.db2.gz LHGCXAHAYIOZOO-ZHRRBRCNSA-N 2 2 367.468 3.373 20 30 FGEDLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593323599 506539905 /nfs/dbraw/zinc/53/99/05/506539905.db2.gz QWKUQDYXFYFRKY-INIZCTEOSA-N 3 2 363.509 3.036 20 30 FGEDLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000583258164 506681316 /nfs/dbraw/zinc/68/13/16/506681316.db2.gz KQQLWPQGWVHKQA-XLIONFOSSA-N 2 2 367.493 3.017 20 30 FGEDLP N#Cc1cccc(OC2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)c1 ZINC000596989978 506718103 /nfs/dbraw/zinc/71/81/03/506718103.db2.gz WSXSLYSZAUQHAD-UHFFFAOYSA-N 2 2 359.433 3.182 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cc(-c4cccnc4)n[nH]3)CC2)c1 ZINC000593692370 506733945 /nfs/dbraw/zinc/73/39/45/506733945.db2.gz DSLMFYHGURMPGU-UHFFFAOYSA-N 2 2 372.476 3.098 20 30 FGEDLP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CCc3sccc3C2)cc1Cl ZINC000261968144 713716440 /nfs/dbraw/zinc/71/64/40/713716440.db2.gz CDHTYCRPVRESQN-UHFFFAOYSA-N 2 2 364.902 3.195 20 30 FGEDLP COc1ccc(NC(=[NH2+])NCC[N@H+]2CCc3sccc3C2)cc1Cl ZINC000261968144 713716442 /nfs/dbraw/zinc/71/64/42/713716442.db2.gz CDHTYCRPVRESQN-UHFFFAOYSA-N 2 2 364.902 3.195 20 30 FGEDLP CC(C)CNC(=[NH2+])NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000303882489 713789592 /nfs/dbraw/zinc/78/95/92/713789592.db2.gz ICQLEZREWMUWRX-GOSISDBHSA-N 2 2 356.539 3.408 20 30 FGEDLP CC(C)CNC(=[NH2+])NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000303882489 713789595 /nfs/dbraw/zinc/78/95/95/713789595.db2.gz ICQLEZREWMUWRX-GOSISDBHSA-N 2 2 356.539 3.408 20 30 FGEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C#N)s1 ZINC000374286659 713910485 /nfs/dbraw/zinc/91/04/85/713910485.db2.gz YYAOGXQWMQNDEK-UHFFFAOYSA-N 3 2 360.571 3.248 20 30 FGEDLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(CC#N)cc[nH+]3)C[C@@H]21 ZINC001165028330 721819029 /nfs/dbraw/zinc/81/90/29/721819029.db2.gz XNWKRTZPHBIHLD-HLAWJBBLSA-N 2 2 361.493 3.280 20 30 FGEDLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(CC#N)cc[nH+]3)C[C@@H]21 ZINC001165028330 721819031 /nfs/dbraw/zinc/81/90/31/721819031.db2.gz XNWKRTZPHBIHLD-HLAWJBBLSA-N 2 2 361.493 3.280 20 30 FGEDLP N#CCCn1cc(C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c2ccccc21 ZINC000109796633 494919526 /nfs/dbraw/zinc/91/95/26/494919526.db2.gz QEJIDSQAGXOVPC-UHFFFAOYSA-N 2 2 361.449 3.271 20 30 FGEDLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000124373908 495276915 /nfs/dbraw/zinc/27/69/15/495276915.db2.gz WUHYQXAKPILVJK-UHFFFAOYSA-N 2 2 371.510 3.046 20 30 FGEDLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000124373908 495276918 /nfs/dbraw/zinc/27/69/18/495276918.db2.gz WUHYQXAKPILVJK-UHFFFAOYSA-N 2 2 371.510 3.046 20 30 FGEDLP COc1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)cc1OCCCC#N ZINC000119994338 495284807 /nfs/dbraw/zinc/28/48/07/495284807.db2.gz FABZZMPKCWWJBD-UHFFFAOYSA-N 2 2 364.449 3.358 20 30 FGEDLP C=CCC[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000131008975 495478853 /nfs/dbraw/zinc/47/88/53/495478853.db2.gz VVMYBFLEKMSJAB-HXUWFJFHSA-N 2 2 358.530 3.019 20 30 FGEDLP C[NH+](Cc1ccccc1NC[C@H](O)C[N@H+](C)CCC#N)C1CCCCC1 ZINC000577859663 505806965 /nfs/dbraw/zinc/80/69/65/505806965.db2.gz GSHKRGWLIMIKDS-FQEVSTJZSA-N 2 2 358.530 3.069 20 30 FGEDLP C[NH+](Cc1ccccc1NC[C@H](O)C[N@@H+](C)CCC#N)C1CCCCC1 ZINC000577859663 505806968 /nfs/dbraw/zinc/80/69/68/505806968.db2.gz GSHKRGWLIMIKDS-FQEVSTJZSA-N 2 2 358.530 3.069 20 30 FGEDLP C[NH+](CCC#N)C[C@@H](O)CNc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000577859663 505806971 /nfs/dbraw/zinc/80/69/71/505806971.db2.gz GSHKRGWLIMIKDS-FQEVSTJZSA-N 2 2 358.530 3.069 20 30 FGEDLP C[NH+](CCC#N)C[C@@H](O)CNc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000577859663 505806974 /nfs/dbraw/zinc/80/69/74/505806974.db2.gz GSHKRGWLIMIKDS-FQEVSTJZSA-N 2 2 358.530 3.069 20 30 FGEDLP CC(C)(C)C[N@H+](CCC#N)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000171945676 496103396 /nfs/dbraw/zinc/10/33/96/496103396.db2.gz RHJBVGUUDVHEPK-UHFFFAOYSA-N 2 2 370.541 3.160 20 30 FGEDLP CC(C)(C)C[N@@H+](CCC#N)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000171945676 496103400 /nfs/dbraw/zinc/10/34/00/496103400.db2.gz RHJBVGUUDVHEPK-UHFFFAOYSA-N 2 2 370.541 3.160 20 30 FGEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000174965144 496185736 /nfs/dbraw/zinc/18/57/36/496185736.db2.gz FVYJAFRFCLQGOA-ROUUACIJSA-N 2 2 374.504 3.125 20 30 FGEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000174965144 496185739 /nfs/dbraw/zinc/18/57/39/496185739.db2.gz FVYJAFRFCLQGOA-ROUUACIJSA-N 2 2 374.504 3.125 20 30 FGEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000174965144 496185741 /nfs/dbraw/zinc/18/57/41/496185741.db2.gz FVYJAFRFCLQGOA-ROUUACIJSA-N 2 2 374.504 3.125 20 30 FGEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000174965144 496185745 /nfs/dbraw/zinc/18/57/45/496185745.db2.gz FVYJAFRFCLQGOA-ROUUACIJSA-N 2 2 374.504 3.125 20 30 FGEDLP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181428073 496391363 /nfs/dbraw/zinc/39/13/63/496391363.db2.gz QRKLUMPXEGLOIG-UHFFFAOYSA-N 2 2 362.477 3.271 20 30 FGEDLP Cc1cc([C@@](C)(O)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)o1 ZINC000181807487 496553931 /nfs/dbraw/zinc/55/39/31/496553931.db2.gz AHESCXXZKXWWOX-QFIPXVFZSA-N 2 2 367.493 3.230 20 30 FGEDLP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1C#N ZINC000191510367 496790893 /nfs/dbraw/zinc/79/08/93/496790893.db2.gz GRUMPKSMFXOFAK-DNVCBOLYSA-N 2 2 360.864 3.472 20 30 FGEDLP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1C#N ZINC000191510367 496790897 /nfs/dbraw/zinc/79/08/97/496790897.db2.gz GRUMPKSMFXOFAK-DNVCBOLYSA-N 2 2 360.864 3.472 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247665941 496902790 /nfs/dbraw/zinc/90/27/90/496902790.db2.gz QKJVZYWQNNUDDB-HBUWYVDXSA-N 2 2 371.872 3.318 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247665941 496902796 /nfs/dbraw/zinc/90/27/96/496902796.db2.gz QKJVZYWQNNUDDB-HBUWYVDXSA-N 2 2 371.872 3.318 20 30 FGEDLP CC[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261985180 497487310 /nfs/dbraw/zinc/48/73/10/497487310.db2.gz PWUSJQMTOVTFIU-MPGHIAIKSA-N 2 2 372.517 3.140 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246225005 497667616 /nfs/dbraw/zinc/66/76/16/497667616.db2.gz RGARMMSWJVYWON-UXHICEINSA-N 2 2 368.525 3.048 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246225005 497667617 /nfs/dbraw/zinc/66/76/17/497667617.db2.gz RGARMMSWJVYWON-UXHICEINSA-N 2 2 368.525 3.048 20 30 FGEDLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000329800879 497905268 /nfs/dbraw/zinc/90/52/68/497905268.db2.gz JCBFRBMDGBKNPP-UHFFFAOYSA-N 2 2 361.534 3.149 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)[C@H](C)C2)s1 ZINC000364469303 497973207 /nfs/dbraw/zinc/97/32/07/497973207.db2.gz UREORYQXXZVPTK-BFUOFWGJSA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)[C@H](C)C2)s1 ZINC000364469303 497973210 /nfs/dbraw/zinc/97/32/10/497973210.db2.gz UREORYQXXZVPTK-BFUOFWGJSA-N 2 2 358.486 3.463 20 30 FGEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000365632379 498568749 /nfs/dbraw/zinc/56/87/49/498568749.db2.gz SOQSCIYYYPVCRF-CQSZACIVSA-N 2 2 359.271 3.434 20 30 FGEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000365632379 498568756 /nfs/dbraw/zinc/56/87/56/498568756.db2.gz SOQSCIYYYPVCRF-CQSZACIVSA-N 2 2 359.271 3.434 20 30 FGEDLP CCC[NH+]1CCC([NH+]2CCN(CC#Cc3ccc(Cl)cc3)CC2)CC1 ZINC000370206160 499197378 /nfs/dbraw/zinc/19/73/78/499197378.db2.gz KAQLAZANXKACTM-UHFFFAOYSA-N 2 2 359.945 3.184 20 30 FGEDLP CCC[NH+]1CCC(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)CC1 ZINC000370206160 499197380 /nfs/dbraw/zinc/19/73/80/499197380.db2.gz KAQLAZANXKACTM-UHFFFAOYSA-N 2 2 359.945 3.184 20 30 FGEDLP Cc1ccc2ncc(C#N)c(N3CC[N@H+](C4CC[NH+](C)CC4)[C@H](C)C3)c2c1 ZINC000368184645 499272491 /nfs/dbraw/zinc/27/24/91/499272491.db2.gz KTXFKVFJKBKVGS-QGZVFWFLSA-N 2 2 363.509 3.020 20 30 FGEDLP Cc1ccc2ncc(C#N)c(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@H](C)C3)c2c1 ZINC000368184645 499272493 /nfs/dbraw/zinc/27/24/93/499272493.db2.gz KTXFKVFJKBKVGS-QGZVFWFLSA-N 2 2 363.509 3.020 20 30 FGEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000372090885 499398172 /nfs/dbraw/zinc/39/81/72/499398172.db2.gz SHPNUSXAHTUFKX-OALUTQOASA-N 2 2 366.465 3.257 20 30 FGEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000372090885 499398173 /nfs/dbraw/zinc/39/81/73/499398173.db2.gz SHPNUSXAHTUFKX-OALUTQOASA-N 2 2 366.465 3.257 20 30 FGEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1F ZINC000404045101 499569692 /nfs/dbraw/zinc/56/96/92/499569692.db2.gz CFLNFCYADVDOON-FQEVSTJZSA-N 2 2 353.441 3.078 20 30 FGEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC000404045101 499569694 /nfs/dbraw/zinc/56/96/94/499569694.db2.gz CFLNFCYADVDOON-FQEVSTJZSA-N 2 2 353.441 3.078 20 30 FGEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1F ZINC000404045102 499569914 /nfs/dbraw/zinc/56/99/14/499569914.db2.gz CFLNFCYADVDOON-HXUWFJFHSA-N 2 2 353.441 3.078 20 30 FGEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1F ZINC000404045102 499569915 /nfs/dbraw/zinc/56/99/15/499569915.db2.gz CFLNFCYADVDOON-HXUWFJFHSA-N 2 2 353.441 3.078 20 30 FGEDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000377080952 499660079 /nfs/dbraw/zinc/66/00/79/499660079.db2.gz GVUIVGIRPQASAR-GIVPXCGWSA-N 2 2 351.498 3.416 20 30 FGEDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000377080952 499660080 /nfs/dbraw/zinc/66/00/80/499660080.db2.gz GVUIVGIRPQASAR-GIVPXCGWSA-N 2 2 351.498 3.416 20 30 FGEDLP C[N@H+](CCC1(C#N)CCCCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000411563423 499763549 /nfs/dbraw/zinc/76/35/49/499763549.db2.gz BMWXMPBHIXWXHX-JOCHJYFZSA-N 2 2 355.526 3.419 20 30 FGEDLP C[N@@H+](CCC1(C#N)CCCCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000411563423 499763551 /nfs/dbraw/zinc/76/35/51/499763551.db2.gz BMWXMPBHIXWXHX-JOCHJYFZSA-N 2 2 355.526 3.419 20 30 FGEDLP C[NH+](CCC1(C#N)CCCCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000411563423 499763552 /nfs/dbraw/zinc/76/35/52/499763552.db2.gz BMWXMPBHIXWXHX-JOCHJYFZSA-N 2 2 355.526 3.419 20 30 FGEDLP C[NH+](CCC1(C#N)CCCCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000411563423 499763554 /nfs/dbraw/zinc/76/35/54/499763554.db2.gz BMWXMPBHIXWXHX-JOCHJYFZSA-N 2 2 355.526 3.419 20 30 FGEDLP C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425168978 500035981 /nfs/dbraw/zinc/03/59/81/500035981.db2.gz MWSIWMLNTLJFOP-LJQANCHMSA-N 2 2 352.482 3.088 20 30 FGEDLP Cn1c2c(cccc2F)[nH+]c1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000443435066 500724451 /nfs/dbraw/zinc/72/44/51/500724451.db2.gz XAABGDRNROWJQO-UHFFFAOYSA-N 2 2 363.440 3.296 20 30 FGEDLP Cn1c2c(cccc2F)[nH+]c1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000443435066 500724455 /nfs/dbraw/zinc/72/44/55/500724455.db2.gz XAABGDRNROWJQO-UHFFFAOYSA-N 2 2 363.440 3.296 20 30 FGEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602575694 506221493 /nfs/dbraw/zinc/22/14/93/506221493.db2.gz WRFHZVZFKPVDFO-ZWKOTPCHSA-N 2 2 356.514 3.296 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000469848486 502567175 /nfs/dbraw/zinc/56/71/75/502567175.db2.gz KDXRLCODPHHIMZ-JSGCOSHPSA-N 2 2 369.303 3.192 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000469848486 502567179 /nfs/dbraw/zinc/56/71/79/502567179.db2.gz KDXRLCODPHHIMZ-JSGCOSHPSA-N 2 2 369.303 3.192 20 30 FGEDLP COC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540595496 503827878 /nfs/dbraw/zinc/82/78/78/503827878.db2.gz WVLBAGGJMFCXMA-QHCPKHFHSA-N 2 2 363.505 3.370 20 30 FGEDLP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1)CC1CC1 ZINC000537849874 504064687 /nfs/dbraw/zinc/06/46/87/504064687.db2.gz WVOIKZRICASZAF-UHFFFAOYSA-N 2 2 374.554 3.392 20 30 FGEDLP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1)CC1CC1 ZINC000537849874 504064691 /nfs/dbraw/zinc/06/46/91/504064691.db2.gz WVOIKZRICASZAF-UHFFFAOYSA-N 2 2 374.554 3.392 20 30 FGEDLP COCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccc(C#N)cc1 ZINC000544347052 504097446 /nfs/dbraw/zinc/09/74/46/504097446.db2.gz CEGGATBIXCLYJL-UHFFFAOYSA-N 2 2 361.449 3.096 20 30 FGEDLP COCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccc(C#N)cc1 ZINC000544347052 504097450 /nfs/dbraw/zinc/09/74/50/504097450.db2.gz CEGGATBIXCLYJL-UHFFFAOYSA-N 2 2 361.449 3.096 20 30 FGEDLP COC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1C#N ZINC000541599459 504194376 /nfs/dbraw/zinc/19/43/76/504194376.db2.gz NCPXDYAXJFGYTF-DOTOQJQBSA-N 2 2 355.482 3.087 20 30 FGEDLP COC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C#N ZINC000541599459 504194378 /nfs/dbraw/zinc/19/43/78/504194378.db2.gz NCPXDYAXJFGYTF-DOTOQJQBSA-N 2 2 355.482 3.087 20 30 FGEDLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000519812959 504350619 /nfs/dbraw/zinc/35/06/19/504350619.db2.gz JGANCHRXNQOXIK-ZDUSSCGKSA-N 2 2 360.889 3.145 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000563149158 505060873 /nfs/dbraw/zinc/06/08/73/505060873.db2.gz FUHDRUUSHGPNQR-UHFFFAOYSA-N 2 2 371.448 3.096 20 30 FGEDLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000583258163 506681511 /nfs/dbraw/zinc/68/15/11/506681511.db2.gz KQQLWPQGWVHKQA-PXNSSMCTSA-N 2 2 367.493 3.017 20 30 FGEDLP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]1C ZINC000593692679 506734910 /nfs/dbraw/zinc/73/49/10/506734910.db2.gz ICJLLWOGNUMVIS-NBHGPNQESA-N 2 2 369.509 3.090 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000583557594 506847222 /nfs/dbraw/zinc/84/72/22/506847222.db2.gz QWIRRDKXBKRPEU-SFHVURJKSA-N 2 2 361.555 3.011 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000583557594 506847224 /nfs/dbraw/zinc/84/72/24/506847224.db2.gz QWIRRDKXBKRPEU-SFHVURJKSA-N 2 2 361.555 3.011 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000583557594 506847230 /nfs/dbraw/zinc/84/72/30/506847230.db2.gz QWIRRDKXBKRPEU-SFHVURJKSA-N 2 2 361.555 3.011 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000583557594 506847234 /nfs/dbraw/zinc/84/72/34/506847234.db2.gz QWIRRDKXBKRPEU-SFHVURJKSA-N 2 2 361.555 3.011 20 30 FGEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000594514811 507164196 /nfs/dbraw/zinc/16/41/96/507164196.db2.gz PGTWUUGEWSTYQX-INIZCTEOSA-N 2 2 357.498 3.090 20 30 FGEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCc4cc(C#N)ccc43)c2cc1C ZINC000591763881 507352684 /nfs/dbraw/zinc/35/26/84/507352684.db2.gz PDYRVOXMCOIDMH-QUCCMNQESA-N 2 2 360.461 3.163 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000160504705 705254733 /nfs/dbraw/zinc/25/47/33/705254733.db2.gz ALAZGIATIFYCJE-AEFFLSMTSA-N 2 2 351.535 3.405 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000237592001 713594181 /nfs/dbraw/zinc/59/41/81/713594181.db2.gz VUOXBKFHLFNEBJ-QGZVFWFLSA-N 2 2 359.539 3.429 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[NH+]2C[C@@H](C)[C@H](C)C2)c1=S ZINC000751927751 722835681 /nfs/dbraw/zinc/83/56/81/722835681.db2.gz KKHOJPULIAVDON-IAGOWNOFSA-N 2 2 363.575 3.174 20 30 FGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000765799683 723541831 /nfs/dbraw/zinc/54/18/31/723541831.db2.gz YDQKKXVUWAHUPR-WDYCEAGBSA-N 2 2 350.890 3.332 20 30 FGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000765799683 723541834 /nfs/dbraw/zinc/54/18/34/723541834.db2.gz YDQKKXVUWAHUPR-WDYCEAGBSA-N 2 2 350.890 3.332 20 30 FGEDLP C[C@]1(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC[NH2+]C1 ZINC000904427903 743954579 /nfs/dbraw/zinc/95/45/79/743954579.db2.gz AEFZLIQAUJPGHG-AEJSXWLSSA-N 2 2 366.296 3.089 20 30 FGEDLP C[C@]1(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC[NH2+]C1 ZINC000904427903 743954580 /nfs/dbraw/zinc/95/45/80/743954580.db2.gz AEFZLIQAUJPGHG-AEJSXWLSSA-N 2 2 366.296 3.089 20 30 FGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1(Br)CC1 ZINC000926661233 759797573 /nfs/dbraw/zinc/79/75/73/759797573.db2.gz MYKRFHXZJREKCI-CQSZACIVSA-N 2 2 362.315 3.428 20 30 FGEDLP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(C#N)cc1F ZINC000580350632 505738268 /nfs/dbraw/zinc/73/82/68/505738268.db2.gz ANAORUGJCRVXDS-VGOFRKELSA-N 2 2 366.484 3.337 20 30 FGEDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)C2 ZINC000113331911 495297726 /nfs/dbraw/zinc/29/77/26/495297726.db2.gz BWDUDDABVAXIFB-IBGZPJMESA-N 2 2 360.465 3.073 20 30 FGEDLP C[C@@H](O[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1)c1nc(C2CC2)no1 ZINC000174128424 495830428 /nfs/dbraw/zinc/83/04/28/495830428.db2.gz ICOISQQKIUIBAA-CQSZACIVSA-N 2 2 369.469 3.331 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000177904680 496245938 /nfs/dbraw/zinc/24/59/38/496245938.db2.gz LFEQXVCKIWZNIO-INIZCTEOSA-N 2 2 363.933 3.317 20 30 FGEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000157171278 496420928 /nfs/dbraw/zinc/42/09/28/496420928.db2.gz XESXODBTZDBJFK-WMZOPIPTSA-N 2 2 352.400 3.353 20 30 FGEDLP C[N@H+]1CCC[C@H]2C[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000157171278 496420934 /nfs/dbraw/zinc/42/09/34/496420934.db2.gz XESXODBTZDBJFK-WMZOPIPTSA-N 2 2 352.400 3.353 20 30 FGEDLP C[NH+]1CCC[C@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000157171278 496420937 /nfs/dbraw/zinc/42/09/37/496420937.db2.gz XESXODBTZDBJFK-WMZOPIPTSA-N 2 2 352.400 3.353 20 30 FGEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000157171278 496420943 /nfs/dbraw/zinc/42/09/43/496420943.db2.gz XESXODBTZDBJFK-WMZOPIPTSA-N 2 2 352.400 3.353 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3n3cccn3)CC2)cc1 ZINC000181846956 496570139 /nfs/dbraw/zinc/57/01/39/496570139.db2.gz WMKSEFSINQFMFA-YADHBBJMSA-N 2 2 363.509 3.493 20 30 FGEDLP N#CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181932894 496603232 /nfs/dbraw/zinc/60/32/32/496603232.db2.gz FKKFKEJZVUMTCT-UHFFFAOYSA-N 2 2 360.461 3.215 20 30 FGEDLP C[NH+](C)CC1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000182055453 496651502 /nfs/dbraw/zinc/65/15/02/496651502.db2.gz RAOXDLDVFZUXSV-UHFFFAOYSA-N 3 2 354.542 3.233 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000270346541 497107017 /nfs/dbraw/zinc/10/70/17/497107017.db2.gz OYFVWEBXFNQWRG-DENIHFKCSA-N 2 2 360.461 3.414 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000270346541 497107023 /nfs/dbraw/zinc/10/70/23/497107023.db2.gz OYFVWEBXFNQWRG-DENIHFKCSA-N 2 2 360.461 3.414 20 30 FGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H](C)C1 ZINC000245432259 497402340 /nfs/dbraw/zinc/40/23/40/497402340.db2.gz ONBUUYZMKJOBSA-AZUAARDMSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H](C)C1 ZINC000245432259 497402345 /nfs/dbraw/zinc/40/23/45/497402345.db2.gz ONBUUYZMKJOBSA-AZUAARDMSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H](C)C1 ZINC000245432259 497402350 /nfs/dbraw/zinc/40/23/50/497402350.db2.gz ONBUUYZMKJOBSA-AZUAARDMSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)[C@@H](C)C1 ZINC000245432259 497402357 /nfs/dbraw/zinc/40/23/57/497402357.db2.gz ONBUUYZMKJOBSA-AZUAARDMSA-N 2 2 370.541 3.212 20 30 FGEDLP N#CCCN(C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000267481045 497564607 /nfs/dbraw/zinc/56/46/07/497564607.db2.gz JCXONBPNZJZGPF-UHFFFAOYSA-N 2 2 371.872 3.189 20 30 FGEDLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000329771747 497896794 /nfs/dbraw/zinc/89/67/94/497896794.db2.gz GZEIDINZKUXIEZ-UHFFFAOYSA-N 2 2 355.486 3.468 20 30 FGEDLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000329771747 497896798 /nfs/dbraw/zinc/89/67/98/497896798.db2.gz GZEIDINZKUXIEZ-UHFFFAOYSA-N 2 2 355.486 3.468 20 30 FGEDLP C[NH+]1CCC[C@H]1C(=O)Nc1cc(NC(=O)[C@@H]2CCC[N@H+]2C)c(F)cc1F ZINC000329946142 497964632 /nfs/dbraw/zinc/96/46/32/497964632.db2.gz JLUPKLLTLSJKDO-HOTGVXAUSA-N 2 2 366.412 3.329 20 30 FGEDLP C[NH+]1CCC[C@H]1C(=O)Nc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C)c(F)cc1F ZINC000329946142 497964638 /nfs/dbraw/zinc/96/46/38/497964638.db2.gz JLUPKLLTLSJKDO-HOTGVXAUSA-N 2 2 366.412 3.329 20 30 FGEDLP C[C@]1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000330314551 498102055 /nfs/dbraw/zinc/10/20/55/498102055.db2.gz PGFDZEYZHZWHMO-GHTZIAJQSA-N 2 2 352.482 3.457 20 30 FGEDLP C[C@]1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCC[N@H+]1Cc1ccccc1 ZINC000330314551 498102062 /nfs/dbraw/zinc/10/20/62/498102062.db2.gz PGFDZEYZHZWHMO-GHTZIAJQSA-N 2 2 352.482 3.457 20 30 FGEDLP C[N@H+](Cc1ccc(C#N)c(F)c1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000365279487 498385361 /nfs/dbraw/zinc/38/53/61/498385361.db2.gz YTGZGDUXEMHDSJ-UHFFFAOYSA-N 2 2 352.457 3.231 20 30 FGEDLP C[N@@H+](Cc1ccc(C#N)c(F)c1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000365279487 498385366 /nfs/dbraw/zinc/38/53/66/498385366.db2.gz YTGZGDUXEMHDSJ-UHFFFAOYSA-N 2 2 352.457 3.231 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1C#N ZINC000361666835 498417227 /nfs/dbraw/zinc/41/72/27/498417227.db2.gz KVUBKGHTNIFCKK-SJLPKXTDSA-N 2 2 365.481 3.370 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1C#N ZINC000361666835 498417231 /nfs/dbraw/zinc/41/72/31/498417231.db2.gz KVUBKGHTNIFCKK-SJLPKXTDSA-N 2 2 365.481 3.370 20 30 FGEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000365619782 498561988 /nfs/dbraw/zinc/56/19/88/498561988.db2.gz BQSFQDMZMJOISU-HNNXBMFYSA-N 2 2 359.271 3.434 20 30 FGEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000365619782 498561997 /nfs/dbraw/zinc/56/19/97/498561997.db2.gz BQSFQDMZMJOISU-HNNXBMFYSA-N 2 2 359.271 3.434 20 30 FGEDLP CN(C(=O)c1ccc(C#N)s1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000328869477 498967086 /nfs/dbraw/zinc/96/70/86/498967086.db2.gz XRWSOKFLNLLBKF-MSOLQXFVSA-N 2 2 374.554 3.029 20 30 FGEDLP CN(C(=O)c1ccc(C#N)s1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000328869477 498967095 /nfs/dbraw/zinc/96/70/95/498967095.db2.gz XRWSOKFLNLLBKF-MSOLQXFVSA-N 2 2 374.554 3.029 20 30 FGEDLP Cc1cc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000329334808 499101595 /nfs/dbraw/zinc/10/15/95/499101595.db2.gz KWVYALCIZLZNOM-MJGOQNOKSA-N 2 2 369.513 3.260 20 30 FGEDLP COc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1OCCCC#N ZINC000370129859 499185320 /nfs/dbraw/zinc/18/53/20/499185320.db2.gz FMHFWDLVMNHKMO-UHFFFAOYSA-N 2 2 357.498 3.484 20 30 FGEDLP COc1cc(C#N)ccc1C[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000378387474 499510507 /nfs/dbraw/zinc/51/05/07/499510507.db2.gz ZARIDEVCUQLIJQ-UHFFFAOYSA-N 2 2 350.466 3.058 20 30 FGEDLP COc1cc(C#N)ccc1C[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000378387474 499510508 /nfs/dbraw/zinc/51/05/08/499510508.db2.gz ZARIDEVCUQLIJQ-UHFFFAOYSA-N 2 2 350.466 3.058 20 30 FGEDLP COc1cc(C#N)ccc1C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000378617239 499538029 /nfs/dbraw/zinc/53/80/29/499538029.db2.gz ADFNKINFIULHHV-UHFFFAOYSA-N 2 2 364.493 3.101 20 30 FGEDLP COc1cc(C#N)ccc1C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000378617239 499538030 /nfs/dbraw/zinc/53/80/30/499538030.db2.gz ADFNKINFIULHHV-UHFFFAOYSA-N 2 2 364.493 3.101 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc1OC ZINC000414837207 499836053 /nfs/dbraw/zinc/83/60/53/499836053.db2.gz JCAUOLZJFRDKAO-CQSZACIVSA-N 2 2 371.319 3.486 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000414922409 499845094 /nfs/dbraw/zinc/84/50/94/499845094.db2.gz GBBOUSAMWWPENN-IUODEOHRSA-N 2 2 369.303 3.110 20 30 FGEDLP C[N@H+](CC#Cc1ccc(Cl)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425931772 500213645 /nfs/dbraw/zinc/21/36/45/500213645.db2.gz MVHCXYYBORBUFK-QFIPXVFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425931772 500213647 /nfs/dbraw/zinc/21/36/47/500213647.db2.gz MVHCXYYBORBUFK-QFIPXVFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C[NH+](CC#Cc1ccc(Cl)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425931772 500213650 /nfs/dbraw/zinc/21/36/50/500213650.db2.gz MVHCXYYBORBUFK-QFIPXVFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C[NH+](CC#Cc1ccc(Cl)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425931772 500213652 /nfs/dbraw/zinc/21/36/52/500213652.db2.gz MVHCXYYBORBUFK-QFIPXVFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC000428473906 500514618 /nfs/dbraw/zinc/51/46/18/500514618.db2.gz HTBQHTGORADLQT-IBGZPJMESA-N 2 2 373.545 3.059 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000444167265 500812450 /nfs/dbraw/zinc/81/24/50/500812450.db2.gz LHJZRISPMPNZIK-JMDAGXMHSA-N 2 2 362.562 3.112 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000444167265 500812452 /nfs/dbraw/zinc/81/24/52/500812452.db2.gz LHJZRISPMPNZIK-JMDAGXMHSA-N 2 2 362.562 3.112 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000444167265 500812455 /nfs/dbraw/zinc/81/24/55/500812455.db2.gz LHJZRISPMPNZIK-JMDAGXMHSA-N 2 2 362.562 3.112 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000444167265 500812457 /nfs/dbraw/zinc/81/24/57/500812457.db2.gz LHJZRISPMPNZIK-JMDAGXMHSA-N 2 2 362.562 3.112 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441389750 501132317 /nfs/dbraw/zinc/13/23/17/501132317.db2.gz VPFHHHQSLWAFAV-PZJWPPBQSA-N 2 2 366.509 3.420 20 30 FGEDLP N#Cc1ccc(CNc2[nH+]c3ccccc3n2CCCn2cc[nH+]c2)s1 ZINC000463481256 501736600 /nfs/dbraw/zinc/73/66/00/501736600.db2.gz LHRWGKPQFHBYKR-UHFFFAOYSA-N 2 2 362.462 3.290 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C(C)C ZINC000476026702 502362187 /nfs/dbraw/zinc/36/21/87/502362187.db2.gz CGOJLBNNDCGDJB-PXNSSMCTSA-N 2 2 372.557 3.453 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C(C)C ZINC000476026702 502362194 /nfs/dbraw/zinc/36/21/94/502362194.db2.gz CGOJLBNNDCGDJB-PXNSSMCTSA-N 2 2 372.557 3.453 20 30 FGEDLP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000488267152 502674424 /nfs/dbraw/zinc/67/44/24/502674424.db2.gz LSXIYPVOPAPBCE-OAHLLOKOSA-N 2 2 360.502 3.149 20 30 FGEDLP CN(C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1(C#N)CCCCC1 ZINC000491060424 503268177 /nfs/dbraw/zinc/26/81/77/503268177.db2.gz XCBXWXHHJUSNPQ-HXUWFJFHSA-N 2 2 374.573 3.259 20 30 FGEDLP CN(C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1(C#N)CCCCC1 ZINC000491060424 503268182 /nfs/dbraw/zinc/26/81/82/503268182.db2.gz XCBXWXHHJUSNPQ-HXUWFJFHSA-N 2 2 374.573 3.259 20 30 FGEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541201520 504040081 /nfs/dbraw/zinc/04/00/81/504040081.db2.gz PAVGXETZFRVECK-HXUWFJFHSA-N 2 2 366.465 3.161 20 30 FGEDLP C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000519845621 504361858 /nfs/dbraw/zinc/36/18/58/504361858.db2.gz AKPMTVOMAOTHSW-UHFFFAOYSA-N 2 2 352.438 3.239 20 30 FGEDLP C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000519845621 504361863 /nfs/dbraw/zinc/36/18/63/504361863.db2.gz AKPMTVOMAOTHSW-UHFFFAOYSA-N 2 2 352.438 3.239 20 30 FGEDLP N#Cc1cccc(C2([NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000560165625 505008340 /nfs/dbraw/zinc/00/83/40/505008340.db2.gz GMUGIQRZMDVSMO-JOCHJYFZSA-N 2 2 361.489 3.428 20 30 FGEDLP N#Cc1cccc(C2([NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000560165625 505008344 /nfs/dbraw/zinc/00/83/44/505008344.db2.gz GMUGIQRZMDVSMO-JOCHJYFZSA-N 2 2 361.489 3.428 20 30 FGEDLP C=CCC[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000560527908 505115797 /nfs/dbraw/zinc/11/57/97/505115797.db2.gz GRYDXOOWEUIDDF-FQEVSTJZSA-N 3 2 354.498 3.484 20 30 FGEDLP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000613453169 507098915 /nfs/dbraw/zinc/09/89/15/507098915.db2.gz HWJDRRCNNWZTCK-OAQYLSRUSA-N 2 2 358.526 3.105 20 30 FGEDLP N#CC1(c2ccccc2)CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000595103428 507392823 /nfs/dbraw/zinc/39/28/23/507392823.db2.gz NOOHFGIUGLEWHQ-NJEKYYFSSA-N 2 2 353.510 3.233 20 30 FGEDLP C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000598722139 507567389 /nfs/dbraw/zinc/56/73/89/507567389.db2.gz AELYJJOEXIDZSM-RKVPGOIHSA-N 2 2 367.896 3.362 20 30 FGEDLP C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000598722139 507567397 /nfs/dbraw/zinc/56/73/97/507567397.db2.gz AELYJJOEXIDZSM-RKVPGOIHSA-N 2 2 367.896 3.362 20 30 FGEDLP CC(C)Oc1ncccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611438136 507682833 /nfs/dbraw/zinc/68/28/33/507682833.db2.gz UKKBSMXKIJJXMK-UHFFFAOYSA-N 2 2 364.493 3.495 20 30 FGEDLP C[C@H]([NH2+]C1(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CCCC1)c1ccccc1 ZINC000592505248 507684757 /nfs/dbraw/zinc/68/47/57/507684757.db2.gz GPBHCTSANBNPJN-KRWDZBQOSA-N 2 2 374.492 3.354 20 30 FGEDLP C[C@H](NC(=[NH2+])NCC[NH+]1CCSCC1)c1ccc(Cl)cc1Cl ZINC000262544345 713727093 /nfs/dbraw/zinc/72/70/93/713727093.db2.gz UMRXLXCILQBGOJ-NSHDSACASA-N 2 2 361.342 3.008 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[NH+]2C[C@H](C)[C@@H](C)C2)c1=S ZINC000751927754 722835823 /nfs/dbraw/zinc/83/58/23/722835823.db2.gz KKHOJPULIAVDON-IRXDYDNUSA-N 2 2 363.575 3.174 20 30 FGEDLP C=C(C)COc1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1OC ZINC000093042601 494814297 /nfs/dbraw/zinc/81/42/97/494814297.db2.gz HZXNVGASGQPDNC-HXUWFJFHSA-N 2 2 374.525 3.194 20 30 FGEDLP C=C(C)COc1cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)ccc1OC ZINC000093042601 494814302 /nfs/dbraw/zinc/81/43/02/494814302.db2.gz HZXNVGASGQPDNC-HXUWFJFHSA-N 2 2 374.525 3.194 20 30 FGEDLP Cc1oc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(C#N)c1C ZINC000121807867 494865055 /nfs/dbraw/zinc/86/50/55/494865055.db2.gz JIZXWFOWLLXELL-UHFFFAOYSA-N 2 2 372.513 3.295 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123924882 495207754 /nfs/dbraw/zinc/20/77/54/495207754.db2.gz NXYCMJLHGZRNFC-IXDOHACOSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123924882 495207758 /nfs/dbraw/zinc/20/77/58/495207758.db2.gz NXYCMJLHGZRNFC-IXDOHACOSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123924882 495207760 /nfs/dbraw/zinc/20/77/60/495207760.db2.gz NXYCMJLHGZRNFC-IXDOHACOSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123924882 495207764 /nfs/dbraw/zinc/20/77/64/495207764.db2.gz NXYCMJLHGZRNFC-IXDOHACOSA-N 2 2 374.554 3.434 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173639623 495628464 /nfs/dbraw/zinc/62/84/64/495628464.db2.gz UXNIOKFJAMRRRK-ROUUACIJSA-N 2 2 363.571 3.457 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173639623 495628466 /nfs/dbraw/zinc/62/84/66/495628466.db2.gz UXNIOKFJAMRRRK-ROUUACIJSA-N 2 2 363.571 3.457 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173639623 495628470 /nfs/dbraw/zinc/62/84/70/495628470.db2.gz UXNIOKFJAMRRRK-ROUUACIJSA-N 2 2 363.571 3.457 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173639623 495628473 /nfs/dbraw/zinc/62/84/73/495628473.db2.gz UXNIOKFJAMRRRK-ROUUACIJSA-N 2 2 363.571 3.457 20 30 FGEDLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181415177 496385370 /nfs/dbraw/zinc/38/53/70/496385370.db2.gz QZSNUGXWOZAURT-LJQANCHMSA-N 3 2 354.542 3.377 20 30 FGEDLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181415177 496385375 /nfs/dbraw/zinc/38/53/75/496385375.db2.gz QZSNUGXWOZAURT-LJQANCHMSA-N 3 2 354.542 3.377 20 30 FGEDLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181513567 496427292 /nfs/dbraw/zinc/42/72/92/496427292.db2.gz KTDGCRGWCJUGJU-BGYRXZFFSA-N 3 2 368.569 3.480 20 30 FGEDLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181513567 496427291 /nfs/dbraw/zinc/42/72/91/496427291.db2.gz KTDGCRGWCJUGJU-BGYRXZFFSA-N 3 2 368.569 3.480 20 30 FGEDLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(OCC#N)cc1 ZINC000181530297 496433363 /nfs/dbraw/zinc/43/33/63/496433363.db2.gz ZRYFEKQWSIODIE-GOSISDBHSA-N 2 2 365.477 3.272 20 30 FGEDLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(C#N)c1 ZINC000181583054 496455969 /nfs/dbraw/zinc/45/59/69/496455969.db2.gz LCLKKTLIZYPZER-SFHVURJKSA-N 2 2 365.477 3.120 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157404652 496470019 /nfs/dbraw/zinc/47/00/19/496470019.db2.gz OGROPHRRHYSAGQ-YJBOKZPZSA-N 2 2 374.916 3.489 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157404652 496470025 /nfs/dbraw/zinc/47/00/25/496470025.db2.gz OGROPHRRHYSAGQ-YJBOKZPZSA-N 2 2 374.916 3.489 20 30 FGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000181762131 496533169 /nfs/dbraw/zinc/53/31/69/496533169.db2.gz OYRZGXGTQZYSDE-OPAMFIHVSA-N 2 2 367.468 3.373 20 30 FGEDLP C[NH+](C)CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000181763609 496534408 /nfs/dbraw/zinc/53/44/08/496534408.db2.gz GBCXMQAAFXIVLJ-OAQYLSRUSA-N 3 2 356.558 3.479 20 30 FGEDLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000181813648 496555888 /nfs/dbraw/zinc/55/58/88/496555888.db2.gz ZWGYCYBQEPNWLA-LEWJYISDSA-N 2 2 353.510 3.460 20 30 FGEDLP CN(C(=O)c1cc(C#N)cs1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178875640 496601393 /nfs/dbraw/zinc/60/13/93/496601393.db2.gz ISRRPYKRIMQIRC-MSOLQXFVSA-N 2 2 374.554 3.029 20 30 FGEDLP CN(C(=O)c1cc(C#N)cs1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178875640 496601397 /nfs/dbraw/zinc/60/13/97/496601397.db2.gz ISRRPYKRIMQIRC-MSOLQXFVSA-N 2 2 374.554 3.029 20 30 FGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](O)Cc1ccccc1 ZINC000182049220 496649913 /nfs/dbraw/zinc/64/99/13/496649913.db2.gz BVACAXAEZAKWLK-WZONZLPQSA-N 2 2 363.505 3.104 20 30 FGEDLP Cn1cc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1C#N ZINC000249395264 497198552 /nfs/dbraw/zinc/19/85/52/497198552.db2.gz GRUMPKSMFXOFAK-BEFAXECRSA-N 2 2 360.864 3.472 20 30 FGEDLP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1C#N ZINC000249395264 497198558 /nfs/dbraw/zinc/19/85/58/497198558.db2.gz GRUMPKSMFXOFAK-BEFAXECRSA-N 2 2 360.864 3.472 20 30 FGEDLP N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000245516274 497437696 /nfs/dbraw/zinc/43/76/96/497437696.db2.gz FQMZCLVPFORKRG-TZIWHRDSSA-N 2 2 366.509 3.004 20 30 FGEDLP N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000245516274 497437697 /nfs/dbraw/zinc/43/76/97/497437697.db2.gz FQMZCLVPFORKRG-TZIWHRDSSA-N 2 2 366.509 3.004 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266953193 497454771 /nfs/dbraw/zinc/45/47/71/497454771.db2.gz VAJYUQRTLSELCJ-MSOLQXFVSA-N 2 2 365.481 3.233 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266953193 497454775 /nfs/dbraw/zinc/45/47/75/497454775.db2.gz VAJYUQRTLSELCJ-MSOLQXFVSA-N 2 2 365.481 3.233 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245569791 497460836 /nfs/dbraw/zinc/46/08/36/497460836.db2.gz GJFOXJWEVBPMCC-JENIJYKNSA-N 2 2 372.538 3.431 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245569791 497460840 /nfs/dbraw/zinc/46/08/40/497460840.db2.gz GJFOXJWEVBPMCC-JENIJYKNSA-N 2 2 372.538 3.431 20 30 FGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](O)c1cccc(F)c1 ZINC000271845477 497468756 /nfs/dbraw/zinc/46/87/56/497468756.db2.gz HNHUEDBWBNXSIV-KSFYIVLOSA-N 2 2 367.468 3.373 20 30 FGEDLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000329819349 497913978 /nfs/dbraw/zinc/91/39/78/497913978.db2.gz GLJOJUJWNXOGMQ-UHFFFAOYSA-N 2 2 372.494 3.467 20 30 FGEDLP C[C@@H]1[C@H](C)N(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@H+]1C ZINC000329840041 497920983 /nfs/dbraw/zinc/92/09/83/497920983.db2.gz WFIPJVRHXFOZPY-CVEARBPZSA-N 2 2 367.497 3.456 20 30 FGEDLP C[C@@H]1[C@H](C)N(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC[N@@H+]1C ZINC000329840041 497920991 /nfs/dbraw/zinc/92/09/91/497920991.db2.gz WFIPJVRHXFOZPY-CVEARBPZSA-N 2 2 367.497 3.456 20 30 FGEDLP Cc1[nH+]c2ccccc2n1CCC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000330017117 497992622 /nfs/dbraw/zinc/99/26/22/497992622.db2.gz QPBYIOWRHCIGEX-KRWDZBQOSA-N 2 2 370.497 3.192 20 30 FGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000330243366 498075739 /nfs/dbraw/zinc/07/57/39/498075739.db2.gz CQSHLGCXWVEDDR-KSZLIROESA-N 2 2 361.534 3.464 20 30 FGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000330243366 498075743 /nfs/dbraw/zinc/07/57/43/498075743.db2.gz CQSHLGCXWVEDDR-KSZLIROESA-N 2 2 361.534 3.464 20 30 FGEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000365632378 498568620 /nfs/dbraw/zinc/56/86/20/498568620.db2.gz SOQSCIYYYPVCRF-AWEZNQCLSA-N 2 2 359.271 3.434 20 30 FGEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000365632378 498568625 /nfs/dbraw/zinc/56/86/25/498568625.db2.gz SOQSCIYYYPVCRF-AWEZNQCLSA-N 2 2 359.271 3.434 20 30 FGEDLP C[NH+]1CCC(Oc2ccc(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)cc2)CC1 ZINC000329158134 499058494 /nfs/dbraw/zinc/05/84/94/499058494.db2.gz WUGQSPKFUXOFEG-KRWDZBQOSA-N 2 2 368.481 3.075 20 30 FGEDLP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+](Cc4cccs4)CC3)n2c1 ZINC000369487034 499408045 /nfs/dbraw/zinc/40/80/45/499408045.db2.gz WHYRCANXUCDNCZ-UHFFFAOYSA-N 2 2 351.479 3.022 20 30 FGEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000373099645 499451343 /nfs/dbraw/zinc/45/13/43/499451343.db2.gz OBDKFRWOUDSVPA-HNNXBMFYSA-N 2 2 371.872 3.153 20 30 FGEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000373099645 499451344 /nfs/dbraw/zinc/45/13/44/499451344.db2.gz OBDKFRWOUDSVPA-HNNXBMFYSA-N 2 2 371.872 3.153 20 30 FGEDLP Cn1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000375905176 499567211 /nfs/dbraw/zinc/56/72/11/499567211.db2.gz NKTBYGRYCVWRQA-HXUWFJFHSA-N 2 2 359.433 3.007 20 30 FGEDLP Cn1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000375905176 499567212 /nfs/dbraw/zinc/56/72/12/499567212.db2.gz NKTBYGRYCVWRQA-HXUWFJFHSA-N 2 2 359.433 3.007 20 30 FGEDLP N#CCCN(C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1cccc(Cl)c1 ZINC000376195055 499590346 /nfs/dbraw/zinc/59/03/46/499590346.db2.gz KIKVKKRACKBFPD-UHFFFAOYSA-N 2 2 371.872 3.189 20 30 FGEDLP N#Cc1ccccc1NC(=O)CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000411502721 499748236 /nfs/dbraw/zinc/74/82/36/499748236.db2.gz JMTMLDHJIHSXAE-UHFFFAOYSA-N 2 2 365.481 3.276 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1OCC ZINC000414895395 499842814 /nfs/dbraw/zinc/84/28/14/499842814.db2.gz NLLCNIAGIOONJK-HNNXBMFYSA-N 2 2 369.303 3.240 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CO)CC3CCCCC3)CC2)cc1 ZINC000417366349 500050480 /nfs/dbraw/zinc/05/04/80/500050480.db2.gz NKTMBQDEHJFKIR-JOCHJYFZSA-N 2 2 355.526 3.444 20 30 FGEDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439450480 500898806 /nfs/dbraw/zinc/89/88/06/500898806.db2.gz KWNBJELYFYODMM-IRXDYDNUSA-N 2 2 360.933 3.202 20 30 FGEDLP Cc1cccc2c1C[C@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)CO2 ZINC000598988199 506263931 /nfs/dbraw/zinc/26/39/31/506263931.db2.gz ZEUIMSFVHQKHEC-NRFANRHFSA-N 2 2 361.489 3.424 20 30 FGEDLP CO[C@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000602708983 506267737 /nfs/dbraw/zinc/26/77/37/506267737.db2.gz ZXXNTFNCCDXZEQ-QHCPKHFHSA-N 2 2 363.505 3.370 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464860724 502126055 /nfs/dbraw/zinc/12/60/55/502126055.db2.gz ZQTCEZGPQSBKAQ-PZJWPPBQSA-N 2 2 355.526 3.029 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464860724 502126060 /nfs/dbraw/zinc/12/60/60/502126060.db2.gz ZQTCEZGPQSBKAQ-PZJWPPBQSA-N 2 2 355.526 3.029 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464860724 502126064 /nfs/dbraw/zinc/12/60/64/502126064.db2.gz ZQTCEZGPQSBKAQ-PZJWPPBQSA-N 2 2 355.526 3.029 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464860724 502126069 /nfs/dbraw/zinc/12/60/69/502126069.db2.gz ZQTCEZGPQSBKAQ-PZJWPPBQSA-N 2 2 355.526 3.029 20 30 FGEDLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602848189 506325860 /nfs/dbraw/zinc/32/58/60/506325860.db2.gz FICIEJQRPKIIIO-HDICACEKSA-N 2 2 353.514 3.433 20 30 FGEDLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602848189 506325866 /nfs/dbraw/zinc/32/58/66/506325866.db2.gz FICIEJQRPKIIIO-HDICACEKSA-N 2 2 353.514 3.433 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481175467 502772526 /nfs/dbraw/zinc/77/25/26/502772526.db2.gz KHANMUJXKYOBMB-SVFBPWRDSA-N 2 2 357.542 3.300 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481175467 502772531 /nfs/dbraw/zinc/77/25/31/502772531.db2.gz KHANMUJXKYOBMB-SVFBPWRDSA-N 2 2 357.542 3.300 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481176823 502774644 /nfs/dbraw/zinc/77/46/44/502774644.db2.gz SPFWXHAYLLQFRB-SVFBPWRDSA-N 2 2 355.526 3.076 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481176823 502774648 /nfs/dbraw/zinc/77/46/48/502774648.db2.gz SPFWXHAYLLQFRB-SVFBPWRDSA-N 2 2 355.526 3.076 20 30 FGEDLP C=CC[N@@H+](CCc1ccco1)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491285427 503293779 /nfs/dbraw/zinc/29/37/79/503293779.db2.gz SWSOTPNXHVDTBK-SFHVURJKSA-N 2 2 353.466 3.338 20 30 FGEDLP C=CC[N@H+](CCc1ccco1)C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491285427 503293781 /nfs/dbraw/zinc/29/37/81/503293781.db2.gz SWSOTPNXHVDTBK-SFHVURJKSA-N 2 2 353.466 3.338 20 30 FGEDLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C#N)cc1F ZINC000512637509 503600690 /nfs/dbraw/zinc/60/06/90/503600690.db2.gz WNJQWLGRMMFLCJ-MRXNPFEDSA-N 2 2 353.441 3.380 20 30 FGEDLP Cn1cc2ccc(C[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2n1 ZINC000527759866 503930704 /nfs/dbraw/zinc/93/07/04/503930704.db2.gz AUSRELMQTWTLOL-UHFFFAOYSA-N 2 2 359.477 3.199 20 30 FGEDLP C=C(C)C[NH+]1CCC(NC(=O)CCn2c3ccccc3[nH+]c2C2CC2)CC1 ZINC000538743761 504354200 /nfs/dbraw/zinc/35/42/00/504354200.db2.gz IMHLQTJTQNKXMV-UHFFFAOYSA-N 2 2 366.509 3.461 20 30 FGEDLP N#CC(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)(c1ccccc1)c1ccccc1 ZINC000556068078 504790312 /nfs/dbraw/zinc/79/03/12/504790312.db2.gz NKUNUYWBYCDGFA-UHFFFAOYSA-N 2 2 371.488 3.432 20 30 FGEDLP C=CCOc1ccc(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000557799870 505233788 /nfs/dbraw/zinc/23/37/88/505233788.db2.gz KLSHTEQFQJSMMO-LJQANCHMSA-N 2 2 365.477 3.369 20 30 FGEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCc4c(CC#N)cccc4C3)c2cc1C ZINC000599679447 506574285 /nfs/dbraw/zinc/57/42/85/506574285.db2.gz SIPIBDYQJKIGLS-FQEVSTJZSA-N 2 2 374.488 3.138 20 30 FGEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCc4c(CC#N)cccc4C3)c2cc1C ZINC000599679447 506574291 /nfs/dbraw/zinc/57/42/91/506574291.db2.gz SIPIBDYQJKIGLS-FQEVSTJZSA-N 2 2 374.488 3.138 20 30 FGEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1F ZINC000593688462 506733307 /nfs/dbraw/zinc/73/33/07/506733307.db2.gz SGCCPGGMPPCHGQ-UHFFFAOYSA-N 2 2 353.441 3.460 20 30 FGEDLP CC(C)(C)c1n[nH]cc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593692712 506734432 /nfs/dbraw/zinc/73/44/32/506734432.db2.gz INIIMYZFFDFZTK-UHFFFAOYSA-N 2 2 351.498 3.333 20 30 FGEDLP Cn1cnc2cc(C[NH2+]C3CC[NH+](Cc4cccc(C#N)c4)CC3)ccc21 ZINC000593693310 506734738 /nfs/dbraw/zinc/73/47/38/506734738.db2.gz UCZDMZOMOVWMPP-UHFFFAOYSA-N 2 2 359.477 3.199 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000605127945 507086022 /nfs/dbraw/zinc/08/60/22/507086022.db2.gz DHPWIRNMERWCOI-FQEVSTJZSA-N 2 2 352.482 3.301 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000594518520 507167851 /nfs/dbraw/zinc/16/78/51/507167851.db2.gz HFROKPQRPVMMRD-YADHBBJMSA-N 2 2 352.526 3.129 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000594518520 507167856 /nfs/dbraw/zinc/16/78/56/507167856.db2.gz HFROKPQRPVMMRD-YADHBBJMSA-N 2 2 352.526 3.129 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc4c3CCOC4)CC2)cc1 ZINC000601152277 507279736 /nfs/dbraw/zinc/27/97/36/507279736.db2.gz MMEOEJQMTDADSX-UHFFFAOYSA-N 2 2 361.489 3.385 20 30 FGEDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000072965992 494292872 /nfs/dbraw/zinc/29/28/72/494292872.db2.gz OUFVDXHQAGDTIN-VQTJNVASSA-N 2 2 374.573 3.258 20 30 FGEDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000072965992 494292877 /nfs/dbraw/zinc/29/28/77/494292877.db2.gz OUFVDXHQAGDTIN-VQTJNVASSA-N 2 2 374.573 3.258 20 30 FGEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000072965992 494292881 /nfs/dbraw/zinc/29/28/81/494292881.db2.gz OUFVDXHQAGDTIN-VQTJNVASSA-N 2 2 374.573 3.258 20 30 FGEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000072965992 494292885 /nfs/dbraw/zinc/29/28/85/494292885.db2.gz OUFVDXHQAGDTIN-VQTJNVASSA-N 2 2 374.573 3.258 20 30 FGEDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000072965990 494293553 /nfs/dbraw/zinc/29/35/53/494293553.db2.gz OUFVDXHQAGDTIN-WOJBJXKFSA-N 2 2 374.573 3.258 20 30 FGEDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000072965990 494293557 /nfs/dbraw/zinc/29/35/57/494293557.db2.gz OUFVDXHQAGDTIN-WOJBJXKFSA-N 2 2 374.573 3.258 20 30 FGEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000072965990 494293560 /nfs/dbraw/zinc/29/35/60/494293560.db2.gz OUFVDXHQAGDTIN-WOJBJXKFSA-N 2 2 374.573 3.258 20 30 FGEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000072965990 494293565 /nfs/dbraw/zinc/29/35/65/494293565.db2.gz OUFVDXHQAGDTIN-WOJBJXKFSA-N 2 2 374.573 3.258 20 30 FGEDLP COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122048417 494915337 /nfs/dbraw/zinc/91/53/37/494915337.db2.gz GCBXIIBQGZFXAG-NRFANRHFSA-N 2 2 369.509 3.360 20 30 FGEDLP C=CCC[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000130923560 495466677 /nfs/dbraw/zinc/46/66/77/495466677.db2.gz ZVEJOXUMYRDKTM-OAQYLSRUSA-N 2 2 372.557 3.361 20 30 FGEDLP C=CCC[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000130923560 495466680 /nfs/dbraw/zinc/46/66/80/495466680.db2.gz ZVEJOXUMYRDKTM-OAQYLSRUSA-N 2 2 372.557 3.361 20 30 FGEDLP C[N@H+](C[C@H](O)C[NH+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CC1 ZINC000577785724 505791903 /nfs/dbraw/zinc/79/19/03/505791903.db2.gz ZNPIEVSOVUHHKP-QFIPXVFZSA-N 2 2 367.468 3.155 20 30 FGEDLP C[N@@H+](C[C@H](O)C[NH+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CC1 ZINC000577785724 505791908 /nfs/dbraw/zinc/79/19/08/505791908.db2.gz ZNPIEVSOVUHHKP-QFIPXVFZSA-N 2 2 367.468 3.155 20 30 FGEDLP C[NH+](C[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CC1 ZINC000577785724 505791911 /nfs/dbraw/zinc/79/19/11/505791911.db2.gz ZNPIEVSOVUHHKP-QFIPXVFZSA-N 2 2 367.468 3.155 20 30 FGEDLP C[NH+](C[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1CC1 ZINC000577785724 505791916 /nfs/dbraw/zinc/79/19/16/505791916.db2.gz ZNPIEVSOVUHHKP-QFIPXVFZSA-N 2 2 367.468 3.155 20 30 FGEDLP Cc1sc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)c1C ZINC000185754639 495712545 /nfs/dbraw/zinc/71/25/45/495712545.db2.gz AZFBOWHFVLZUSP-HOCLYGCPSA-N 2 2 374.554 3.418 20 30 FGEDLP Cc1sc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000185754639 495712548 /nfs/dbraw/zinc/71/25/48/495712548.db2.gz AZFBOWHFVLZUSP-HOCLYGCPSA-N 2 2 374.554 3.418 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3[C@H]4CCO[C@@H]4C34CCCC4)CC2)cc1 ZINC000183271042 495910905 /nfs/dbraw/zinc/91/09/05/495910905.db2.gz NGCZPIDGOUWVCB-FSSWDIPSSA-N 2 2 365.521 3.460 20 30 FGEDLP CCOc1ncccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181469458 496409717 /nfs/dbraw/zinc/40/97/17/496409717.db2.gz ZOLLEUAQZAMTDA-UHFFFAOYSA-N 2 2 350.466 3.106 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCOCC(F)(F)F)CC2)cc1 ZINC000181477577 496412150 /nfs/dbraw/zinc/41/21/50/496412150.db2.gz JMUDOIBDWNENEM-UHFFFAOYSA-N 2 2 355.404 3.081 20 30 FGEDLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000178792316 496572875 /nfs/dbraw/zinc/57/28/75/496572875.db2.gz YTKSMUQCXHUPBV-UHFFFAOYSA-N 2 2 372.875 3.392 20 30 FGEDLP Cn1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000182093343 496666791 /nfs/dbraw/zinc/66/67/91/496666791.db2.gz TUWXMSDKMUCSHN-GOSISDBHSA-N 2 2 374.492 3.147 20 30 FGEDLP Cn1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000182093343 496666800 /nfs/dbraw/zinc/66/68/00/496666800.db2.gz TUWXMSDKMUCSHN-GOSISDBHSA-N 2 2 374.492 3.147 20 30 FGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@H]21 ZINC000247248096 496816074 /nfs/dbraw/zinc/81/60/74/496816074.db2.gz XBHUSKMGZKTFNE-TZIWHRDSSA-N 2 2 363.509 3.380 20 30 FGEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@H]21 ZINC000247248096 496816077 /nfs/dbraw/zinc/81/60/77/496816077.db2.gz XBHUSKMGZKTFNE-TZIWHRDSSA-N 2 2 363.509 3.380 20 30 FGEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@H]21 ZINC000247248096 496816082 /nfs/dbraw/zinc/81/60/82/496816082.db2.gz XBHUSKMGZKTFNE-TZIWHRDSSA-N 2 2 363.509 3.380 20 30 FGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@H]21 ZINC000247248096 496816087 /nfs/dbraw/zinc/81/60/87/496816087.db2.gz XBHUSKMGZKTFNE-TZIWHRDSSA-N 2 2 363.509 3.380 20 30 FGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)ccc2Br)[C@H](C)C1 ZINC000191813114 496898506 /nfs/dbraw/zinc/89/85/06/496898506.db2.gz SQRZFBOITXFERO-CXAGYDPISA-N 2 2 350.304 3.483 20 30 FGEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)ccc2Br)[C@H](C)C1 ZINC000191813114 496898513 /nfs/dbraw/zinc/89/85/13/496898513.db2.gz SQRZFBOITXFERO-CXAGYDPISA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2Br)[C@H](C)C1 ZINC000191813114 496898518 /nfs/dbraw/zinc/89/85/18/496898518.db2.gz SQRZFBOITXFERO-CXAGYDPISA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2Br)[C@H](C)C1 ZINC000191813114 496898522 /nfs/dbraw/zinc/89/85/22/496898522.db2.gz SQRZFBOITXFERO-CXAGYDPISA-N 2 2 350.304 3.483 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266953196 497454808 /nfs/dbraw/zinc/45/48/08/497454808.db2.gz VAJYUQRTLSELCJ-ZWKOTPCHSA-N 2 2 365.481 3.233 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266953196 497454813 /nfs/dbraw/zinc/45/48/13/497454813.db2.gz VAJYUQRTLSELCJ-ZWKOTPCHSA-N 2 2 365.481 3.233 20 30 FGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](O)c1cccc(F)c1 ZINC000271845484 497468375 /nfs/dbraw/zinc/46/83/75/497468375.db2.gz HNHUEDBWBNXSIV-ZHRRBRCNSA-N 2 2 367.468 3.373 20 30 FGEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)NCc1oc2ccccc2c1C ZINC000262553840 497573724 /nfs/dbraw/zinc/57/37/24/497573724.db2.gz UIZQKIFPJGCUBL-UHFFFAOYSA-N 2 2 351.454 3.139 20 30 FGEDLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000329645521 497856200 /nfs/dbraw/zinc/85/62/00/497856200.db2.gz AULZKTNEPHIQQF-IKGGRYGDSA-N 2 2 360.502 3.136 20 30 FGEDLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000329645521 497856208 /nfs/dbraw/zinc/85/62/08/497856208.db2.gz AULZKTNEPHIQQF-IKGGRYGDSA-N 2 2 360.502 3.136 20 30 FGEDLP Cc1cc2c[nH]nc2c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000329651505 497858277 /nfs/dbraw/zinc/85/82/77/497858277.db2.gz KJXBCIZHWXAXOB-UHFFFAOYSA-N 2 2 369.513 3.126 20 30 FGEDLP Cc1nc(CC2CC2)oc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000330010642 497989303 /nfs/dbraw/zinc/98/93/03/497989303.db2.gz IFLDOQWBQBUNMO-UHFFFAOYSA-N 2 2 374.529 3.190 20 30 FGEDLP C=CC[NH+]1CCC(Nc2cc(C)[nH+]c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000301382415 498084900 /nfs/dbraw/zinc/08/49/00/498084900.db2.gz ARMHPKKWSVSZMN-UHFFFAOYSA-N 2 2 353.426 3.423 20 30 FGEDLP C[C@@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)c[nH+]2)CCO1 ZINC000330303256 498098728 /nfs/dbraw/zinc/09/87/28/498098728.db2.gz PBESPKBRHCIIRP-AEFFLSMTSA-N 2 2 360.502 3.028 20 30 FGEDLP C[C@@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CCCC[N@H+]3C)c[nH+]2)CCO1 ZINC000330303256 498098739 /nfs/dbraw/zinc/09/87/39/498098739.db2.gz PBESPKBRHCIIRP-AEFFLSMTSA-N 2 2 360.502 3.028 20 30 FGEDLP C[C@H](C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000330334786 498108755 /nfs/dbraw/zinc/10/87/55/498108755.db2.gz QZCULWQJQMOIDG-ZTNFWEORSA-N 2 2 368.481 3.044 20 30 FGEDLP C[C@H](C(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)[N@H+]1CCc2ccccc2C1 ZINC000330334786 498108760 /nfs/dbraw/zinc/10/87/60/498108760.db2.gz QZCULWQJQMOIDG-ZTNFWEORSA-N 2 2 368.481 3.044 20 30 FGEDLP C[N@H+]1Cc2ccccc2[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000360790552 498308937 /nfs/dbraw/zinc/30/89/37/498308937.db2.gz BGQGSNFVZBNGIB-HSZRJFAPSA-N 2 2 360.505 3.299 20 30 FGEDLP C[N@@H+]1Cc2ccccc2[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000360790552 498308941 /nfs/dbraw/zinc/30/89/41/498308941.db2.gz BGQGSNFVZBNGIB-HSZRJFAPSA-N 2 2 360.505 3.299 20 30 FGEDLP CN1Cc2ccccc2[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000360790552 498308946 /nfs/dbraw/zinc/30/89/46/498308946.db2.gz BGQGSNFVZBNGIB-HSZRJFAPSA-N 2 2 360.505 3.299 20 30 FGEDLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328610346 498874049 /nfs/dbraw/zinc/87/40/49/498874049.db2.gz NQEQPBQBAFWMTA-SFHVURJKSA-N 2 2 359.518 3.300 20 30 FGEDLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328610346 498874054 /nfs/dbraw/zinc/87/40/54/498874054.db2.gz NQEQPBQBAFWMTA-SFHVURJKSA-N 2 2 359.518 3.300 20 30 FGEDLP C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000329242718 499082081 /nfs/dbraw/zinc/08/20/81/499082081.db2.gz AIESJAAFCZYAHU-UHOSZYNNSA-N 2 2 352.482 3.313 20 30 FGEDLP C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000329242718 499082084 /nfs/dbraw/zinc/08/20/84/499082084.db2.gz AIESJAAFCZYAHU-UHOSZYNNSA-N 2 2 352.482 3.313 20 30 FGEDLP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329443070 499122423 /nfs/dbraw/zinc/12/24/23/499122423.db2.gz LJPBOLWYKFDVID-HOTGVXAUSA-N 2 2 358.511 3.376 20 30 FGEDLP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329443070 499122425 /nfs/dbraw/zinc/12/24/25/499122425.db2.gz LJPBOLWYKFDVID-HOTGVXAUSA-N 2 2 358.511 3.376 20 30 FGEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)[nH+]1 ZINC000369899141 499148000 /nfs/dbraw/zinc/14/80/00/499148000.db2.gz FKIOWKITKXHYNA-SFHVURJKSA-N 2 2 374.448 3.388 20 30 FGEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)[nH+]1 ZINC000369899141 499148002 /nfs/dbraw/zinc/14/80/02/499148002.db2.gz FKIOWKITKXHYNA-SFHVURJKSA-N 2 2 374.448 3.388 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC(=O)Nc4ccccc43)CC2)cc1 ZINC000373188815 499456339 /nfs/dbraw/zinc/45/63/39/499456339.db2.gz BSNNNQTZZXQDRY-IBGZPJMESA-N 2 2 374.488 3.238 20 30 FGEDLP C=CCC[C@H](C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000427942328 500447948 /nfs/dbraw/zinc/44/79/48/500447948.db2.gz UJYUKPHCRWTINB-KNQAVFIVSA-N 2 2 369.553 3.363 20 30 FGEDLP C=CCC[C@H](C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000427942328 500447950 /nfs/dbraw/zinc/44/79/50/500447950.db2.gz UJYUKPHCRWTINB-KNQAVFIVSA-N 2 2 369.553 3.363 20 30 FGEDLP C=CCC[C@H](C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000427942330 500448050 /nfs/dbraw/zinc/44/80/50/500448050.db2.gz UJYUKPHCRWTINB-UGKGYDQZSA-N 2 2 369.553 3.363 20 30 FGEDLP C=CCC[C@H](C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000427942330 500448051 /nfs/dbraw/zinc/44/80/51/500448051.db2.gz UJYUKPHCRWTINB-UGKGYDQZSA-N 2 2 369.553 3.363 20 30 FGEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000449119659 500929568 /nfs/dbraw/zinc/92/95/68/500929568.db2.gz AKLWYQBQSWGLDP-OALUTQOASA-N 2 2 373.545 3.007 20 30 FGEDLP COc1cc(C[C@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)ccn1 ZINC000602708100 506268220 /nfs/dbraw/zinc/26/82/20/506268220.db2.gz WWAWZRLSDFEAEJ-KRWDZBQOSA-N 2 2 364.493 3.147 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000482896907 502210354 /nfs/dbraw/zinc/21/03/54/502210354.db2.gz IMWGVAHIZSEYGJ-OAQYLSRUSA-N 2 2 373.460 3.080 20 30 FGEDLP N#CCC1(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC1 ZINC000602832240 506318098 /nfs/dbraw/zinc/31/80/98/506318098.db2.gz RTSLAFBNVHNAPQ-UHFFFAOYSA-N 2 2 363.259 3.435 20 30 FGEDLP N#CCC1(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC1 ZINC000602832240 506318103 /nfs/dbraw/zinc/31/81/03/506318103.db2.gz RTSLAFBNVHNAPQ-UHFFFAOYSA-N 2 2 363.259 3.435 20 30 FGEDLP Cn1cc(C[NH2+][C@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cc1C#N ZINC000480390570 502555335 /nfs/dbraw/zinc/55/53/35/502555335.db2.gz SOOSSPXPGZDBPN-OAQYLSRUSA-N 2 2 350.510 3.459 20 30 FGEDLP Cn1cc(C[NH2+][C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)cc1C#N ZINC000480390570 502555342 /nfs/dbraw/zinc/55/53/42/502555342.db2.gz SOOSSPXPGZDBPN-OAQYLSRUSA-N 2 2 350.510 3.459 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000469848488 502566891 /nfs/dbraw/zinc/56/68/91/502566891.db2.gz KDXRLCODPHHIMZ-TZMCWYRMSA-N 2 2 369.303 3.192 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000469848488 502566893 /nfs/dbraw/zinc/56/68/93/502566893.db2.gz KDXRLCODPHHIMZ-TZMCWYRMSA-N 2 2 369.303 3.192 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1OC ZINC000470012836 502629986 /nfs/dbraw/zinc/62/99/86/502629986.db2.gz SIFKESJTEONMTC-CYBMUJFWSA-N 2 2 369.303 3.064 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1OC ZINC000470012836 502629989 /nfs/dbraw/zinc/62/99/89/502629989.db2.gz SIFKESJTEONMTC-CYBMUJFWSA-N 2 2 369.303 3.064 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481176821 502774942 /nfs/dbraw/zinc/77/49/42/502774942.db2.gz SPFWXHAYLLQFRB-DYXWJJEUSA-N 2 2 355.526 3.076 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481176821 502774946 /nfs/dbraw/zinc/77/49/46/502774946.db2.gz SPFWXHAYLLQFRB-DYXWJJEUSA-N 2 2 355.526 3.076 20 30 FGEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1F ZINC000512668882 503608319 /nfs/dbraw/zinc/60/83/19/503608319.db2.gz WZIJRBYJNMCFTH-XWFZLUIHSA-N 2 2 367.468 3.231 20 30 FGEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1F ZINC000512668882 503608322 /nfs/dbraw/zinc/60/83/22/503608322.db2.gz WZIJRBYJNMCFTH-XWFZLUIHSA-N 2 2 367.468 3.231 20 30 FGEDLP Cc1ccsc1[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000537307768 503875788 /nfs/dbraw/zinc/87/57/88/503875788.db2.gz QXSUONQODXIWRK-IBGZPJMESA-N 2 2 355.507 3.216 20 30 FGEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541204421 504041624 /nfs/dbraw/zinc/04/16/24/504041624.db2.gz JPFFKCYZKNMUAC-GOSISDBHSA-N 2 2 371.529 3.106 20 30 FGEDLP N#CCc1cccc2c1CC[N@H+](CCC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000599679405 506574942 /nfs/dbraw/zinc/57/49/42/506574942.db2.gz ZSGHAZNEZPYCQC-UHFFFAOYSA-N 2 2 374.532 3.323 20 30 FGEDLP N#CCc1cccc2c1CC[N@@H+](CCC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000599679405 506574950 /nfs/dbraw/zinc/57/49/50/506574950.db2.gz ZSGHAZNEZPYCQC-UHFFFAOYSA-N 2 2 374.532 3.323 20 30 FGEDLP CC(C)(C)c1ncc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1 ZINC000593693393 506735014 /nfs/dbraw/zinc/73/50/14/506735014.db2.gz XHPNELBCNBZBDJ-UHFFFAOYSA-N 2 2 363.509 3.400 20 30 FGEDLP CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593703230 506741290 /nfs/dbraw/zinc/74/12/90/506741290.db2.gz RDACAQLROQGUHX-UHFFFAOYSA-N 3 2 354.542 3.375 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC(N[C@H](c3[nH]cc[nH+]3)c3cccnc3)CC2)c1 ZINC000593721922 506748770 /nfs/dbraw/zinc/74/87/70/506748770.db2.gz NVBLDRJXLYZCEQ-NRFANRHFSA-N 2 2 372.476 3.020 20 30 FGEDLP CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000597242874 506856463 /nfs/dbraw/zinc/85/64/63/506856463.db2.gz XFLMHPVJQDWSLS-IFMALSPDSA-N 2 2 369.509 3.234 20 30 FGEDLP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(-c2cn3c([nH+]2)CCCC3)cc1 ZINC000594440886 507134513 /nfs/dbraw/zinc/13/45/13/507134513.db2.gz IXGGKASBZSEKDI-KRWDZBQOSA-N 2 2 351.454 3.236 20 30 FGEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3ccc(C#N)c(Cl)c3)c2cc1C ZINC000591765832 507352307 /nfs/dbraw/zinc/35/23/07/507352307.db2.gz KPZVIANCCMQYQX-KRWDZBQOSA-N 2 2 368.868 3.329 20 30 FGEDLP C[N@@H+](CC(=O)NCc1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328648780 522406499 /nfs/dbraw/zinc/40/64/99/522406499.db2.gz USMDWURQJFBYLK-FPOVZHCZSA-N 2 2 352.482 3.163 20 30 FGEDLP C[N@H+](CC(=O)NCc1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328648780 522406514 /nfs/dbraw/zinc/40/65/14/522406514.db2.gz USMDWURQJFBYLK-FPOVZHCZSA-N 2 2 352.482 3.163 20 30 FGEDLP C[NH+](CC(=O)NCc1ccccc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328648780 522406525 /nfs/dbraw/zinc/40/65/25/522406525.db2.gz USMDWURQJFBYLK-FPOVZHCZSA-N 2 2 352.482 3.163 20 30 FGEDLP C[NH+](CC(=O)NCc1ccccc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328648780 522406538 /nfs/dbraw/zinc/40/65/38/522406538.db2.gz USMDWURQJFBYLK-FPOVZHCZSA-N 2 2 352.482 3.163 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000751942226 722836458 /nfs/dbraw/zinc/83/64/58/722836458.db2.gz QIJVRRQMRKRGIR-SJORKVTESA-N 2 2 363.575 3.316 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1=S ZINC000751942226 722836459 /nfs/dbraw/zinc/83/64/59/722836459.db2.gz QIJVRRQMRKRGIR-SJORKVTESA-N 2 2 363.575 3.316 20 30 FGEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000834849291 729839084 /nfs/dbraw/zinc/83/90/84/729839084.db2.gz ACFPQTSOGGYWCE-SJLPKXTDSA-N 2 2 352.906 3.315 20 30 FGEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000834849291 729839087 /nfs/dbraw/zinc/83/90/87/729839087.db2.gz ACFPQTSOGGYWCE-SJLPKXTDSA-N 2 2 352.906 3.315 20 30 FGEDLP C[NH+]=C(NCc1ccco1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000849030579 731224307 /nfs/dbraw/zinc/22/43/07/731224307.db2.gz PAYRJKPIKWZYKX-SFHVURJKSA-N 2 2 360.889 3.435 20 30 FGEDLP Cn1nccc1[C@@H]1[C@@H](C[NH2+]Cc2csc(C#N)c2)CCC[N@@H+]1C1CC1 ZINC000922217052 758873244 /nfs/dbraw/zinc/87/32/44/758873244.db2.gz KHPYYOWSDVRVTA-BEFAXECRSA-N 2 2 355.511 3.059 20 30 FGEDLP Cn1nccc1[C@@H]1[C@@H](C[NH2+]Cc2csc(C#N)c2)CCC[N@H+]1C1CC1 ZINC000922217052 758873266 /nfs/dbraw/zinc/87/32/66/758873266.db2.gz KHPYYOWSDVRVTA-BEFAXECRSA-N 2 2 355.511 3.059 20 30 FGEDLP N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000080907791 493789751 /nfs/dbraw/zinc/78/97/51/493789751.db2.gz TYZDTWVWWWLGSJ-QFIPXVFZSA-N 2 2 357.461 3.255 20 30 FGEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H](C)C1 ZINC000081097021 493830946 /nfs/dbraw/zinc/83/09/46/493830946.db2.gz ONBUUYZMKJOBSA-QUCCMNQESA-N 2 2 370.541 3.212 20 30 FGEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H](C)C1 ZINC000081097021 493830951 /nfs/dbraw/zinc/83/09/51/493830951.db2.gz ONBUUYZMKJOBSA-QUCCMNQESA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H](C)C1 ZINC000081097021 493830956 /nfs/dbraw/zinc/83/09/56/493830956.db2.gz ONBUUYZMKJOBSA-QUCCMNQESA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)[C@H](C)C1 ZINC000081097021 493830960 /nfs/dbraw/zinc/83/09/60/493830960.db2.gz ONBUUYZMKJOBSA-QUCCMNQESA-N 2 2 370.541 3.212 20 30 FGEDLP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1OCCCC#N ZINC000092659197 494701680 /nfs/dbraw/zinc/70/16/80/494701680.db2.gz SMYVMVBGYQDMFC-UHFFFAOYSA-N 2 2 354.454 3.411 20 30 FGEDLP Cc1ccc2[nH+]cc(C[NH2+]C3CCC(Oc4ccc(C#N)cn4)CC3)n2c1 ZINC000092854147 494774653 /nfs/dbraw/zinc/77/46/53/494774653.db2.gz ZCPSJNKCLFVPBH-UHFFFAOYSA-N 2 2 361.449 3.389 20 30 FGEDLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)s3)cc2)CC1 ZINC000176949006 495852762 /nfs/dbraw/zinc/85/27/62/495852762.db2.gz BUTHSOYHYBXJOF-UHFFFAOYSA-N 2 2 354.523 3.047 20 30 FGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(OCC#N)cc1 ZINC000180542254 496038237 /nfs/dbraw/zinc/03/82/37/496038237.db2.gz JQJAVENABIVMEN-QGZVFWFLSA-N 2 2 350.466 3.299 20 30 FGEDLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cc(C#N)cs3)CC2)c1 ZINC000177683535 496158351 /nfs/dbraw/zinc/15/83/51/496158351.db2.gz HSZLIVUISBQQQO-UHFFFAOYSA-N 2 2 354.523 3.230 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000172119947 496173314 /nfs/dbraw/zinc/17/33/14/496173314.db2.gz SSSDPUAYBMCCJA-UHFFFAOYSA-N 2 2 358.467 3.458 20 30 FGEDLP Cc1nc2ccccc2n1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181418241 496387082 /nfs/dbraw/zinc/38/70/82/496387082.db2.gz BMHSMKWBAQTHFM-UHFFFAOYSA-N 2 2 373.504 3.471 20 30 FGEDLP N#Cc1ccccc1Cn1cccc1C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000187656156 496523075 /nfs/dbraw/zinc/52/30/75/496523075.db2.gz CRNHJDLLLDNIKU-UHFFFAOYSA-N 2 2 368.444 3.279 20 30 FGEDLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000182045549 496648626 /nfs/dbraw/zinc/64/86/26/496648626.db2.gz KNXYQGCKCSKFCK-JOCHJYFZSA-N 3 2 368.569 3.480 20 30 FGEDLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000182045549 496648632 /nfs/dbraw/zinc/64/86/32/496648632.db2.gz KNXYQGCKCSKFCK-JOCHJYFZSA-N 3 2 368.569 3.480 20 30 FGEDLP Cc1cccc(C[C@H](CO)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000191603310 496828587 /nfs/dbraw/zinc/82/85/87/496828587.db2.gz LOEFYLFPPRSZJJ-HSZRJFAPSA-N 2 2 363.505 3.024 20 30 FGEDLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000278536952 497146638 /nfs/dbraw/zinc/14/66/38/497146638.db2.gz FVGIJZUUFKDNPK-UHFFFAOYSA-N 2 2 364.449 3.134 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000252652749 497315035 /nfs/dbraw/zinc/31/50/35/497315035.db2.gz FEJTWOIJRUQAAF-LNLFQRSKSA-N 2 2 361.555 3.067 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000252652749 497315037 /nfs/dbraw/zinc/31/50/37/497315037.db2.gz FEJTWOIJRUQAAF-LNLFQRSKSA-N 2 2 361.555 3.067 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000252652749 497315042 /nfs/dbraw/zinc/31/50/42/497315042.db2.gz FEJTWOIJRUQAAF-LNLFQRSKSA-N 2 2 361.555 3.067 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000252652749 497315044 /nfs/dbraw/zinc/31/50/44/497315044.db2.gz FEJTWOIJRUQAAF-LNLFQRSKSA-N 2 2 361.555 3.067 20 30 FGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000332772139 498789478 /nfs/dbraw/zinc/78/94/78/498789478.db2.gz HIWPUYJNZDIPNF-VQTJNVASSA-N 2 2 374.573 3.306 20 30 FGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000332772139 498789482 /nfs/dbraw/zinc/78/94/82/498789482.db2.gz HIWPUYJNZDIPNF-VQTJNVASSA-N 2 2 374.573 3.306 20 30 FGEDLP C#CC[NH+]1CCC(C(=O)Nc2cccc(-c3[nH+]ccn3CCC)c2)CC1 ZINC000363812163 499005727 /nfs/dbraw/zinc/00/57/27/499005727.db2.gz FBPMFTSMHNHJKR-UHFFFAOYSA-N 2 2 350.466 3.244 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCOc3cccc(C#N)c3)[C@H](C)C2)s1 ZINC000364045660 499097878 /nfs/dbraw/zinc/09/78/78/499097878.db2.gz VYSFRKCQPOKRKJ-FOIQADDNSA-N 2 2 370.522 3.202 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCOc3cccc(C#N)c3)[C@H](C)C2)s1 ZINC000364045660 499097881 /nfs/dbraw/zinc/09/78/81/499097881.db2.gz VYSFRKCQPOKRKJ-FOIQADDNSA-N 2 2 370.522 3.202 20 30 FGEDLP CC[C@@H]1C[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC(=O)N1 ZINC000329368299 499109965 /nfs/dbraw/zinc/10/99/65/499109965.db2.gz ABZWEGIVGRJTKC-DLBZAZTESA-N 2 2 364.534 3.038 20 30 FGEDLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329498748 499128199 /nfs/dbraw/zinc/12/81/99/499128199.db2.gz XXZHXHXMXZBCDP-SJLPKXTDSA-N 2 2 374.529 3.170 20 30 FGEDLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329498748 499128200 /nfs/dbraw/zinc/12/82/00/499128200.db2.gz XXZHXHXMXZBCDP-SJLPKXTDSA-N 2 2 374.529 3.170 20 30 FGEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000370235630 499200484 /nfs/dbraw/zinc/20/04/84/499200484.db2.gz HITUQZCMBIJMST-RTBURBONSA-N 2 2 366.465 3.429 20 30 FGEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000370235630 499200485 /nfs/dbraw/zinc/20/04/85/499200485.db2.gz HITUQZCMBIJMST-RTBURBONSA-N 2 2 366.465 3.429 20 30 FGEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000372090887 499398542 /nfs/dbraw/zinc/39/85/42/499398542.db2.gz SHPNUSXAHTUFKX-RTBURBONSA-N 2 2 366.465 3.257 20 30 FGEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000372090887 499398543 /nfs/dbraw/zinc/39/85/43/499398543.db2.gz SHPNUSXAHTUFKX-RTBURBONSA-N 2 2 366.465 3.257 20 30 FGEDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ccc(OCC#N)cc1 ZINC000373187212 499456187 /nfs/dbraw/zinc/45/61/87/499456187.db2.gz UCBUKEQBCGMFRR-YRISNDGFSA-N 2 2 367.497 3.056 20 30 FGEDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ccc(OCC#N)cc1 ZINC000373187212 499456188 /nfs/dbraw/zinc/45/61/88/499456188.db2.gz UCBUKEQBCGMFRR-YRISNDGFSA-N 2 2 367.497 3.056 20 30 FGEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1 ZINC000375828517 499559826 /nfs/dbraw/zinc/55/98/26/499559826.db2.gz FOZWIMGJEOJLSO-LRXVAGHRSA-N 2 2 366.509 3.166 20 30 FGEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1 ZINC000375828517 499559827 /nfs/dbraw/zinc/55/98/27/499559827.db2.gz FOZWIMGJEOJLSO-LRXVAGHRSA-N 2 2 366.509 3.166 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1OC ZINC000414803913 499832982 /nfs/dbraw/zinc/83/29/82/499832982.db2.gz XCDXRYSAYGXICN-CQSZACIVSA-N 2 2 357.292 3.095 20 30 FGEDLP N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000459433493 501653030 /nfs/dbraw/zinc/65/30/30/501653030.db2.gz GTSMUEIQFPULKT-UHFFFAOYSA-N 2 2 365.437 3.379 20 30 FGEDLP C=CCOCC[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459499799 501664455 /nfs/dbraw/zinc/66/44/55/501664455.db2.gz CGXWNHSQOMPMQD-UHFFFAOYSA-N 2 2 363.933 3.129 20 30 FGEDLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)Cc1ccccc1 ZINC000602708981 506268922 /nfs/dbraw/zinc/26/89/22/506268922.db2.gz ZXXNTFNCCDXZEQ-HSZRJFAPSA-N 2 2 363.505 3.370 20 30 FGEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471004509 501888346 /nfs/dbraw/zinc/88/83/46/501888346.db2.gz HVQOTIVOPLVARY-PMACEKPBSA-N 2 2 360.933 3.397 20 30 FGEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471004509 501888352 /nfs/dbraw/zinc/88/83/52/501888352.db2.gz HVQOTIVOPLVARY-PMACEKPBSA-N 2 2 360.933 3.397 20 30 FGEDLP C=C(C)C[NH+]1CCC(NC(=O)C[N@@H+](CC)Cc2ccccc2Cl)CC1 ZINC000497501100 502974040 /nfs/dbraw/zinc/97/40/40/502974040.db2.gz XYJRXJYOGMZPRR-UHFFFAOYSA-N 2 2 363.933 3.319 20 30 FGEDLP C=C(C)C[NH+]1CCC(NC(=O)C[N@H+](CC)Cc2ccccc2Cl)CC1 ZINC000497501100 502974044 /nfs/dbraw/zinc/97/40/44/502974044.db2.gz XYJRXJYOGMZPRR-UHFFFAOYSA-N 2 2 363.933 3.319 20 30 FGEDLP CCC1([NH+]2CCCC2)CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000602952751 506364293 /nfs/dbraw/zinc/36/42/93/506364293.db2.gz AQOHOURRAVHSED-UHFFFAOYSA-N 2 2 360.527 3.289 20 30 FGEDLP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(C#N)cc1F ZINC000512626788 503598223 /nfs/dbraw/zinc/59/82/23/503598223.db2.gz WLMLVCRPQSCPCG-INIZCTEOSA-N 2 2 353.441 3.380 20 30 FGEDLP Cc1ccc2[nH+]cc(C[NH2+]C3CCC(Oc4ncccc4C#N)CC3)n2c1 ZINC000527077467 503670770 /nfs/dbraw/zinc/67/07/70/503670770.db2.gz GELWIXUEXKLNNK-UHFFFAOYSA-N 2 2 361.449 3.389 20 30 FGEDLP CCc1ccc([C@@H](CO)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000537303095 503873307 /nfs/dbraw/zinc/87/33/07/503873307.db2.gz DQPJLIVDWIMEJD-HSZRJFAPSA-N 2 2 363.505 3.408 20 30 FGEDLP COc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OCCCC#N ZINC000594518487 507165776 /nfs/dbraw/zinc/16/57/76/507165776.db2.gz GUMVWTYCHVWJOY-RBUKOAKNSA-N 2 2 357.498 3.484 20 30 FGEDLP COc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1OCCCC#N ZINC000594518487 507165783 /nfs/dbraw/zinc/16/57/83/507165783.db2.gz GUMVWTYCHVWJOY-RBUKOAKNSA-N 2 2 357.498 3.484 20 30 FGEDLP C#CCOc1ccc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000322873217 713813752 /nfs/dbraw/zinc/81/37/52/713813752.db2.gz YXAXIMLWXGFQQR-ALOPSCKCSA-N 2 2 363.299 3.176 20 30 FGEDLP C#CCOc1ccc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322873217 713813758 /nfs/dbraw/zinc/81/37/58/713813758.db2.gz YXAXIMLWXGFQQR-ALOPSCKCSA-N 2 2 363.299 3.176 20 30 FGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000765799677 723541791 /nfs/dbraw/zinc/54/17/91/723541791.db2.gz YDQKKXVUWAHUPR-IEZWGBDMSA-N 2 2 350.890 3.332 20 30 FGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000765799677 723541793 /nfs/dbraw/zinc/54/17/93/723541793.db2.gz YDQKKXVUWAHUPR-IEZWGBDMSA-N 2 2 350.890 3.332 20 30 FGEDLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1-c1ccccc1 ZINC000576687874 505571047 /nfs/dbraw/zinc/57/10/47/505571047.db2.gz TXTARCFICNUYTJ-FQEVSTJZSA-N 2 2 359.433 3.101 20 30 FGEDLP Cc1[nH+]cc(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)n1-c1ccccc1 ZINC000576687874 505571049 /nfs/dbraw/zinc/57/10/49/505571049.db2.gz TXTARCFICNUYTJ-FQEVSTJZSA-N 2 2 359.433 3.101 20 30 FGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@@H]21 ZINC000092043135 494766295 /nfs/dbraw/zinc/76/62/95/494766295.db2.gz XBHUSKMGZKTFNE-CTNGQTDRSA-N 2 2 363.509 3.380 20 30 FGEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@@H]21 ZINC000092043135 494766304 /nfs/dbraw/zinc/76/63/04/494766304.db2.gz XBHUSKMGZKTFNE-CTNGQTDRSA-N 2 2 363.509 3.380 20 30 FGEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@@H]21 ZINC000092043135 494766313 /nfs/dbraw/zinc/76/63/13/494766313.db2.gz XBHUSKMGZKTFNE-CTNGQTDRSA-N 2 2 363.509 3.380 20 30 FGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@@H]21 ZINC000092043135 494766322 /nfs/dbraw/zinc/76/63/22/494766322.db2.gz XBHUSKMGZKTFNE-CTNGQTDRSA-N 2 2 363.509 3.380 20 30 FGEDLP N#Cc1ccsc1NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121741312 494849856 /nfs/dbraw/zinc/84/98/56/494849856.db2.gz YPSXVXXGWPNFDX-UHFFFAOYSA-N 2 2 360.527 3.146 20 30 FGEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccccc2)CC[N@@H+]1C ZINC000093643850 494907237 /nfs/dbraw/zinc/90/72/37/494907237.db2.gz FHFGLNHQGDNPOW-PXNSSMCTSA-N 2 2 351.498 3.378 20 30 FGEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccccc2)CC[N@H+]1C ZINC000093643850 494907240 /nfs/dbraw/zinc/90/72/40/494907240.db2.gz FHFGLNHQGDNPOW-PXNSSMCTSA-N 2 2 351.498 3.378 20 30 FGEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)CC[NH+]1C ZINC000093643850 494907244 /nfs/dbraw/zinc/90/72/44/494907244.db2.gz FHFGLNHQGDNPOW-PXNSSMCTSA-N 2 2 351.498 3.378 20 30 FGEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)CC[NH+]1C ZINC000093643850 494907248 /nfs/dbraw/zinc/90/72/48/494907248.db2.gz FHFGLNHQGDNPOW-PXNSSMCTSA-N 2 2 351.498 3.378 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109792893 494919431 /nfs/dbraw/zinc/91/94/31/494919431.db2.gz SRYKHJQLPNSDMT-SFHVURJKSA-N 2 2 365.481 3.164 20 30 FGEDLP C=C[C@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000122218207 494941795 /nfs/dbraw/zinc/94/17/95/494941795.db2.gz WLKRVOJWSKDRAA-GOSISDBHSA-N 2 2 355.526 3.021 20 30 FGEDLP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+](Cc4ccccc4F)CC3)n2c1 ZINC000123368075 495121354 /nfs/dbraw/zinc/12/13/54/495121354.db2.gz OVRVRPXWAAGWKD-UHFFFAOYSA-N 2 2 363.440 3.099 20 30 FGEDLP Cc1ccc([C@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)[NH+]2CCCC2)cc1 ZINC000123516639 495144990 /nfs/dbraw/zinc/14/49/90/495144990.db2.gz CSABMOOYJDENGI-NRFANRHFSA-N 2 2 359.477 3.441 20 30 FGEDLP C[N@H+](CC(=O)Nc1cccc(C#N)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114200329 495353662 /nfs/dbraw/zinc/35/36/62/495353662.db2.gz SYVVJLGSCZKXME-UHFFFAOYSA-N 2 2 362.477 3.093 20 30 FGEDLP C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114200329 495353666 /nfs/dbraw/zinc/35/36/66/495353666.db2.gz SYVVJLGSCZKXME-UHFFFAOYSA-N 2 2 362.477 3.093 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139979340 495486079 /nfs/dbraw/zinc/48/60/79/495486079.db2.gz FEJTWOIJRUQAAF-YQVWRLOYSA-N 2 2 361.555 3.067 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139979340 495486081 /nfs/dbraw/zinc/48/60/81/495486081.db2.gz FEJTWOIJRUQAAF-YQVWRLOYSA-N 2 2 361.555 3.067 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139979340 495486083 /nfs/dbraw/zinc/48/60/83/495486083.db2.gz FEJTWOIJRUQAAF-YQVWRLOYSA-N 2 2 361.555 3.067 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139979340 495486084 /nfs/dbraw/zinc/48/60/84/495486084.db2.gz FEJTWOIJRUQAAF-YQVWRLOYSA-N 2 2 361.555 3.067 20 30 FGEDLP N#C[C@H]1CCC[C@@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185785664 495725795 /nfs/dbraw/zinc/72/57/95/495725795.db2.gz XTSXAJFHUFVVQP-FCHUYYIVSA-N 2 2 354.542 3.256 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CC2)cc1 ZINC000183271028 495910185 /nfs/dbraw/zinc/91/01/85/495910185.db2.gz NGCZPIDGOUWVCB-VSKRKVRLSA-N 2 2 365.521 3.460 20 30 FGEDLP C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000180271838 495931592 /nfs/dbraw/zinc/93/15/92/495931592.db2.gz HJPNRZYLPSLHCX-UZLBHIALSA-N 2 2 360.465 3.238 20 30 FGEDLP C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000180271838 495931602 /nfs/dbraw/zinc/93/16/02/495931602.db2.gz HJPNRZYLPSLHCX-UZLBHIALSA-N 2 2 360.465 3.238 20 30 FGEDLP CCC(CC)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)OC ZINC000180322253 495950186 /nfs/dbraw/zinc/95/01/86/495950186.db2.gz COLRGMCLEFDZQK-UHFFFAOYSA-N 2 2 357.498 3.092 20 30 FGEDLP Cn1nc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000186484563 496015512 /nfs/dbraw/zinc/01/55/12/496015512.db2.gz MMAXHWWGIODWTL-UHFFFAOYSA-N 2 2 373.504 3.242 20 30 FGEDLP C[N@H+](CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000181557039 496445178 /nfs/dbraw/zinc/44/51/78/496445178.db2.gz HBXNPOZLSKITNL-UHFFFAOYSA-N 2 2 362.521 3.244 20 30 FGEDLP C[N@@H+](CCNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000181557039 496445184 /nfs/dbraw/zinc/44/51/84/496445184.db2.gz HBXNPOZLSKITNL-UHFFFAOYSA-N 2 2 362.521 3.244 20 30 FGEDLP CN(CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000181557039 496445190 /nfs/dbraw/zinc/44/51/90/496445190.db2.gz HBXNPOZLSKITNL-UHFFFAOYSA-N 2 2 362.521 3.244 20 30 FGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](O)c1ccc(F)cc1 ZINC000181762096 496533122 /nfs/dbraw/zinc/53/31/22/496533122.db2.gz OYRZGXGTQZYSDE-ZHRRBRCNSA-N 2 2 367.468 3.373 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccc(Cl)nc3)CC2)cc1 ZINC000181898314 496592059 /nfs/dbraw/zinc/59/20/59/496592059.db2.gz BDEYYVCKWIZUBQ-UHFFFAOYSA-N 2 2 354.885 3.403 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247113606 496783183 /nfs/dbraw/zinc/78/31/83/496783183.db2.gz VTXATVDPWYCQLJ-IRXDYDNUSA-N 2 2 374.554 3.293 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247113606 496783187 /nfs/dbraw/zinc/78/31/87/496783187.db2.gz VTXATVDPWYCQLJ-IRXDYDNUSA-N 2 2 374.554 3.293 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247113606 496783190 /nfs/dbraw/zinc/78/31/90/496783190.db2.gz VTXATVDPWYCQLJ-IRXDYDNUSA-N 2 2 374.554 3.293 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247113606 496783194 /nfs/dbraw/zinc/78/31/94/496783194.db2.gz VTXATVDPWYCQLJ-IRXDYDNUSA-N 2 2 374.554 3.293 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248009121 496942548 /nfs/dbraw/zinc/94/25/48/496942548.db2.gz LCJIDRROAJSZCW-ZJOUEHCJSA-N 2 2 368.525 3.046 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248009121 496942552 /nfs/dbraw/zinc/94/25/52/496942552.db2.gz LCJIDRROAJSZCW-ZJOUEHCJSA-N 2 2 368.525 3.046 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248009121 496942558 /nfs/dbraw/zinc/94/25/58/496942558.db2.gz LCJIDRROAJSZCW-ZJOUEHCJSA-N 2 2 368.525 3.046 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248009121 496942563 /nfs/dbraw/zinc/94/25/63/496942563.db2.gz LCJIDRROAJSZCW-ZJOUEHCJSA-N 2 2 368.525 3.046 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCc4[nH]c(=O)ccc43)CC2)cc1 ZINC000271899364 497483139 /nfs/dbraw/zinc/48/31/39/497483139.db2.gz VFCWHEPKYMAEGY-HXUWFJFHSA-N 2 2 362.477 3.290 20 30 FGEDLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(OCC#N)cc1 ZINC000272272683 497583046 /nfs/dbraw/zinc/58/30/46/497583046.db2.gz NOGFCVZHVYJJGL-APWZRJJASA-N 2 2 365.481 3.297 20 30 FGEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C[NH+]1CCCC1 ZINC000276951883 497697185 /nfs/dbraw/zinc/69/71/85/497697185.db2.gz VLSADEAEYNBERN-UHFFFAOYSA-N 3 2 354.542 3.234 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277227303 497782148 /nfs/dbraw/zinc/78/21/48/497782148.db2.gz OKFPDQWREPKBFO-RTBURBONSA-N 2 2 356.514 3.046 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277227303 497782153 /nfs/dbraw/zinc/78/21/53/497782153.db2.gz OKFPDQWREPKBFO-RTBURBONSA-N 2 2 356.514 3.046 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000285620025 498150004 /nfs/dbraw/zinc/15/00/04/498150004.db2.gz WLPXALFVMQOZRM-YOFSQIOKSA-N 2 2 368.525 3.107 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000285620025 498150017 /nfs/dbraw/zinc/15/00/17/498150017.db2.gz WLPXALFVMQOZRM-YOFSQIOKSA-N 2 2 368.525 3.107 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000285620025 498149995 /nfs/dbraw/zinc/14/99/95/498149995.db2.gz WLPXALFVMQOZRM-YOFSQIOKSA-N 2 2 368.525 3.107 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000285620025 498150012 /nfs/dbraw/zinc/15/00/12/498150012.db2.gz WLPXALFVMQOZRM-YOFSQIOKSA-N 2 2 368.525 3.107 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000366460902 498938224 /nfs/dbraw/zinc/93/82/24/498938224.db2.gz JUXBEZLEJVESPJ-UHFFFAOYSA-N 2 2 373.460 3.492 20 30 FGEDLP COc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OCCCC#N ZINC000367698336 499226108 /nfs/dbraw/zinc/22/61/08/499226108.db2.gz FAEHBYJLYNWWHQ-QGZVFWFLSA-N 2 2 354.454 3.101 20 30 FGEDLP COc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OCCCC#N ZINC000367698336 499226109 /nfs/dbraw/zinc/22/61/09/499226109.db2.gz FAEHBYJLYNWWHQ-QGZVFWFLSA-N 2 2 354.454 3.101 20 30 FGEDLP C=CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372422702 499432966 /nfs/dbraw/zinc/43/29/66/499432966.db2.gz RYDYHKFUXVNYTD-CTNGQTDRSA-N 2 2 355.526 3.021 20 30 FGEDLP C=CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372422702 499432967 /nfs/dbraw/zinc/43/29/67/499432967.db2.gz RYDYHKFUXVNYTD-CTNGQTDRSA-N 2 2 355.526 3.021 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC(=O)Nc4ccccc43)CC2)cc1 ZINC000373188816 499456326 /nfs/dbraw/zinc/45/63/26/499456326.db2.gz BSNNNQTZZXQDRY-LJQANCHMSA-N 2 2 374.488 3.238 20 30 FGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000602575692 506222452 /nfs/dbraw/zinc/22/24/52/506222452.db2.gz WRFHZVZFKPVDFO-QZTJIDSGSA-N 2 2 356.514 3.296 20 30 FGEDLP C=CC[C@H]1[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1(C)C ZINC000444777829 500898279 /nfs/dbraw/zinc/89/82/79/500898279.db2.gz GWFNYZLZWGYWSU-LJQANCHMSA-N 2 2 370.541 3.187 20 30 FGEDLP C=CC[C@H]1[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1(C)C ZINC000444777829 500898281 /nfs/dbraw/zinc/89/82/81/500898281.db2.gz GWFNYZLZWGYWSU-LJQANCHMSA-N 2 2 370.541 3.187 20 30 FGEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471004511 501887682 /nfs/dbraw/zinc/88/76/82/501887682.db2.gz HVQOTIVOPLVARY-VQTJNVASSA-N 2 2 360.933 3.397 20 30 FGEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471004511 501887684 /nfs/dbraw/zinc/88/76/84/501887684.db2.gz HVQOTIVOPLVARY-VQTJNVASSA-N 2 2 360.933 3.397 20 30 FGEDLP CCC1([NH+](C)C)CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000602739036 506280480 /nfs/dbraw/zinc/28/04/80/506280480.db2.gz OYDQENNNWCIFAO-UHFFFAOYSA-N 2 2 366.513 3.165 20 30 FGEDLP CCOC(=O)C1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000602752719 506286250 /nfs/dbraw/zinc/28/62/50/506286250.db2.gz QYOZSCBDCWNBNY-UHFFFAOYSA-N 2 2 369.509 3.234 20 30 FGEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2Br)C1 ZINC000481124374 502760896 /nfs/dbraw/zinc/76/08/96/502760896.db2.gz YOCOOFPQLSPLCH-MRXNPFEDSA-N 2 2 362.315 3.484 20 30 FGEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2Br)C1 ZINC000481124374 502760900 /nfs/dbraw/zinc/76/09/00/502760900.db2.gz YOCOOFPQLSPLCH-MRXNPFEDSA-N 2 2 362.315 3.484 20 30 FGEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000481124374 502760905 /nfs/dbraw/zinc/76/09/05/502760905.db2.gz YOCOOFPQLSPLCH-MRXNPFEDSA-N 2 2 362.315 3.484 20 30 FGEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000481124374 502760911 /nfs/dbraw/zinc/76/09/11/502760911.db2.gz YOCOOFPQLSPLCH-MRXNPFEDSA-N 2 2 362.315 3.484 20 30 FGEDLP C=CCCCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000474077335 502800635 /nfs/dbraw/zinc/80/06/35/502800635.db2.gz FSXBNVBRBFQWAK-UXHICEINSA-N 2 2 364.578 3.321 20 30 FGEDLP C=CCCCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000474077335 502800637 /nfs/dbraw/zinc/80/06/37/502800637.db2.gz FSXBNVBRBFQWAK-UXHICEINSA-N 2 2 364.578 3.321 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000499942198 503516927 /nfs/dbraw/zinc/51/69/27/503516927.db2.gz FQCSCZNBKFWUFK-HXUWFJFHSA-N 2 2 370.541 3.356 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000499942198 503516933 /nfs/dbraw/zinc/51/69/33/503516933.db2.gz FQCSCZNBKFWUFK-HXUWFJFHSA-N 2 2 370.541 3.356 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1cn2ccc(C)cc2[nH+]1)C(C)C ZINC000516564307 503538267 /nfs/dbraw/zinc/53/82/67/503538267.db2.gz XDGFYESECNPFSM-IBGZPJMESA-N 2 2 369.513 3.141 20 30 FGEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543988048 503961079 /nfs/dbraw/zinc/96/10/79/503961079.db2.gz WIRCHWJZAXQJCQ-UHFFFAOYSA-N 2 2 368.481 3.335 20 30 FGEDLP C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603655 504195319 /nfs/dbraw/zinc/19/53/19/504195319.db2.gz RNIHLUSSMCCCCN-CRAIPNDOSA-N 2 2 365.481 3.351 20 30 FGEDLP C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603655 504195323 /nfs/dbraw/zinc/19/53/23/504195323.db2.gz RNIHLUSSMCCCCN-CRAIPNDOSA-N 2 2 365.481 3.351 20 30 FGEDLP N#Cc1cccc(CNc2[nH+]c3ccccc3n2CCCn2cc[nH+]c2)c1 ZINC000539602095 504623030 /nfs/dbraw/zinc/62/30/30/504623030.db2.gz YTPQPRGYMDHDOX-UHFFFAOYSA-N 2 2 356.433 3.229 20 30 FGEDLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593324130 506541383 /nfs/dbraw/zinc/54/13/83/506541383.db2.gz YFQRYYYNWQOLJI-XMSQKQJNSA-N 3 2 354.542 3.423 20 30 FGEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1OC ZINC000593688928 506732818 /nfs/dbraw/zinc/73/28/18/506732818.db2.gz YPNQPEOQKPGACP-UHFFFAOYSA-N 2 2 365.477 3.330 20 30 FGEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000594514812 507165301 /nfs/dbraw/zinc/16/53/01/507165301.db2.gz PGTWUUGEWSTYQX-MRXNPFEDSA-N 2 2 357.498 3.090 20 30 FGEDLP CN(C(=[NH2+])NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1CC1 ZINC000305810476 713793760 /nfs/dbraw/zinc/79/37/60/713793760.db2.gz IYJDXUUIRSEDKP-SFHVURJKSA-N 2 2 354.523 3.256 20 30 FGEDLP CN(C(=[NH2+])NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1CC1 ZINC000305810476 713793761 /nfs/dbraw/zinc/79/37/61/713793761.db2.gz IYJDXUUIRSEDKP-SFHVURJKSA-N 2 2 354.523 3.256 20 30 FGEDLP C#Cc1cccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000830713430 729586682 /nfs/dbraw/zinc/58/66/82/729586682.db2.gz BDJBOBAUXBAZRP-UHFFFAOYSA-N 2 2 353.897 3.363 20 30 FGEDLP COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000083188324 494005335 /nfs/dbraw/zinc/00/53/35/494005335.db2.gz IVOIXCGRGXIFDY-NRFANRHFSA-N 2 2 369.509 3.360 20 30 FGEDLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000123344065 495117703 /nfs/dbraw/zinc/11/77/03/495117703.db2.gz SCKAFRMVQLTXFS-UHFFFAOYSA-N 2 2 359.477 3.269 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123925143 495207293 /nfs/dbraw/zinc/20/72/93/495207293.db2.gz NXYCMJLHGZRNFC-YESZJQIVSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123925143 495207296 /nfs/dbraw/zinc/20/72/96/495207296.db2.gz NXYCMJLHGZRNFC-YESZJQIVSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123925143 495207301 /nfs/dbraw/zinc/20/73/01/495207301.db2.gz NXYCMJLHGZRNFC-YESZJQIVSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123925143 495207303 /nfs/dbraw/zinc/20/73/03/495207303.db2.gz NXYCMJLHGZRNFC-YESZJQIVSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129747038 495289614 /nfs/dbraw/zinc/28/96/14/495289614.db2.gz WDMSPOXRNJLUGX-BJLQDIEVSA-N 2 2 365.481 3.101 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129747038 495289618 /nfs/dbraw/zinc/28/96/18/495289618.db2.gz WDMSPOXRNJLUGX-BJLQDIEVSA-N 2 2 365.481 3.101 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000173619727 495617972 /nfs/dbraw/zinc/61/79/72/495617972.db2.gz HRDLTLBTISVPBR-GOSISDBHSA-N 2 2 356.514 3.093 20 30 FGEDLP C[C@H](O[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1)c1nc(C2CC2)no1 ZINC000174128412 495829622 /nfs/dbraw/zinc/82/96/22/495829622.db2.gz ICOISQQKIUIBAA-AWEZNQCLSA-N 2 2 369.469 3.331 20 30 FGEDLP C[NH+](Cc1ccccc1NC[C@@H](O)C[N@H+](C)CCC#N)C1CCCCC1 ZINC000577859665 505806752 /nfs/dbraw/zinc/80/67/52/505806752.db2.gz GSHKRGWLIMIKDS-HXUWFJFHSA-N 2 2 358.530 3.069 20 30 FGEDLP C[NH+](Cc1ccccc1NC[C@@H](O)C[N@@H+](C)CCC#N)C1CCCCC1 ZINC000577859665 505806756 /nfs/dbraw/zinc/80/67/56/505806756.db2.gz GSHKRGWLIMIKDS-HXUWFJFHSA-N 2 2 358.530 3.069 20 30 FGEDLP C[NH+](CCC#N)C[C@H](O)CNc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000577859665 505806758 /nfs/dbraw/zinc/80/67/58/505806758.db2.gz GSHKRGWLIMIKDS-HXUWFJFHSA-N 2 2 358.530 3.069 20 30 FGEDLP C[NH+](CCC#N)C[C@H](O)CNc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000577859665 505806764 /nfs/dbraw/zinc/80/67/64/505806764.db2.gz GSHKRGWLIMIKDS-HXUWFJFHSA-N 2 2 358.530 3.069 20 30 FGEDLP CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000182092361 496666957 /nfs/dbraw/zinc/66/69/57/496666957.db2.gz WPJBFUKRENZMLQ-LJQANCHMSA-N 2 2 351.498 3.225 20 30 FGEDLP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000182092361 496666965 /nfs/dbraw/zinc/66/69/65/496666965.db2.gz WPJBFUKRENZMLQ-LJQANCHMSA-N 2 2 351.498 3.225 20 30 FGEDLP C#CC[NH+]1CCC(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000277828733 496903004 /nfs/dbraw/zinc/90/30/04/496903004.db2.gz YQALZXZCFZPUOV-UHFFFAOYSA-N 2 2 362.477 3.170 20 30 FGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)ccc2Br)[C@@H](C)C1 ZINC000249090585 497164509 /nfs/dbraw/zinc/16/45/09/497164509.db2.gz SQRZFBOITXFERO-SUMWQHHRSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)ccc2Br)[C@@H](C)C1 ZINC000249090585 497164512 /nfs/dbraw/zinc/16/45/12/497164512.db2.gz SQRZFBOITXFERO-SUMWQHHRSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2Br)[C@@H](C)C1 ZINC000249090585 497164514 /nfs/dbraw/zinc/16/45/14/497164514.db2.gz SQRZFBOITXFERO-SUMWQHHRSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2Br)[C@@H](C)C1 ZINC000249090585 497164517 /nfs/dbraw/zinc/16/45/17/497164517.db2.gz SQRZFBOITXFERO-SUMWQHHRSA-N 2 2 350.304 3.483 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)C(C)C ZINC000252664103 497316390 /nfs/dbraw/zinc/31/63/90/497316390.db2.gz UVHYVERUBIYFMU-XUVXKRRUSA-N 2 2 373.545 3.174 20 30 FGEDLP C[N@H+](Cc1ccc(OCC#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000266964402 497457071 /nfs/dbraw/zinc/45/70/71/497457071.db2.gz XUKDWXRXOODJHM-UHFFFAOYSA-N 2 2 364.493 3.123 20 30 FGEDLP C[N@@H+](Cc1ccc(OCC#N)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000266964402 497457074 /nfs/dbraw/zinc/45/70/74/497457074.db2.gz XUKDWXRXOODJHM-UHFFFAOYSA-N 2 2 364.493 3.123 20 30 FGEDLP C=CCC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccco1 ZINC000285480481 498100678 /nfs/dbraw/zinc/10/06/78/498100678.db2.gz BNADRFRXLQELHH-HXUWFJFHSA-N 2 2 367.493 3.464 20 30 FGEDLP COc1ncc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000294915077 498848353 /nfs/dbraw/zinc/84/83/53/498848353.db2.gz FEPPLLKHESAYAF-UHFFFAOYSA-N 2 2 370.884 3.369 20 30 FGEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)[nH+]1 ZINC000369899140 499147876 /nfs/dbraw/zinc/14/78/76/499147876.db2.gz FKIOWKITKXHYNA-GOSISDBHSA-N 2 2 374.448 3.388 20 30 FGEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2nnc(-c3ccc(C#N)cc3)o2)[nH+]1 ZINC000369899140 499147877 /nfs/dbraw/zinc/14/78/77/499147877.db2.gz FKIOWKITKXHYNA-GOSISDBHSA-N 2 2 374.448 3.388 20 30 FGEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1C#N ZINC000371160868 499294787 /nfs/dbraw/zinc/29/47/87/499294787.db2.gz QNCVUYQZQIXCGY-UHFFFAOYSA-N 3 2 354.542 3.186 20 30 FGEDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccccc1C#N ZINC000371160868 499294789 /nfs/dbraw/zinc/29/47/89/499294789.db2.gz QNCVUYQZQIXCGY-UHFFFAOYSA-N 3 2 354.542 3.186 20 30 FGEDLP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO[C@@H]1C1CC1 ZINC000368651038 499317307 /nfs/dbraw/zinc/31/73/07/499317307.db2.gz FJCBDUOQAWYHOM-YADHBBJMSA-N 2 2 353.510 3.317 20 30 FGEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(O)c1 ZINC000373499308 499473480 /nfs/dbraw/zinc/47/34/80/499473480.db2.gz WZUGRHKRLQZDJA-UHFFFAOYSA-N 2 2 351.450 3.027 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CC#Cc3ccc(F)cc3)[C@@H](C)C2)s1 ZINC000375505185 499526740 /nfs/dbraw/zinc/52/67/40/499526740.db2.gz ANSAARNSHRGXQN-YWZLYKJASA-N 2 2 357.498 3.442 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CC#Cc3ccc(F)cc3)[C@@H](C)C2)s1 ZINC000375505185 499526743 /nfs/dbraw/zinc/52/67/43/499526743.db2.gz ANSAARNSHRGXQN-YWZLYKJASA-N 2 2 357.498 3.442 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000377089332 499660936 /nfs/dbraw/zinc/66/09/36/499660936.db2.gz HCBGTJUGVUHOPV-AEFFLSMTSA-N 2 2 351.535 3.262 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000377903951 499746979 /nfs/dbraw/zinc/74/69/79/499746979.db2.gz FEMCMHMNZXBTKX-GOSISDBHSA-N 2 2 364.493 3.469 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000377903951 499746981 /nfs/dbraw/zinc/74/69/81/499746981.db2.gz FEMCMHMNZXBTKX-GOSISDBHSA-N 2 2 364.493 3.469 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420388457 500453312 /nfs/dbraw/zinc/45/33/12/500453312.db2.gz HCJNPQQLQJDUFE-AEFFLSMTSA-N 2 2 359.539 3.367 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420388457 500453316 /nfs/dbraw/zinc/45/33/16/500453316.db2.gz HCJNPQQLQJDUFE-AEFFLSMTSA-N 2 2 359.539 3.367 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441389748 501132447 /nfs/dbraw/zinc/13/24/47/501132447.db2.gz VPFHHHQSLWAFAV-FPOVZHCZSA-N 2 2 366.509 3.420 20 30 FGEDLP N#CCc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)cc1 ZINC000451029045 501240354 /nfs/dbraw/zinc/24/03/54/501240354.db2.gz QEZCHTBJZRJERQ-HXUWFJFHSA-N 2 2 362.477 3.401 20 30 FGEDLP N#CCc1ccc(C[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)cc1 ZINC000451029045 501240355 /nfs/dbraw/zinc/24/03/55/501240355.db2.gz QEZCHTBJZRJERQ-HXUWFJFHSA-N 2 2 362.477 3.401 20 30 FGEDLP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000459482072 501661414 /nfs/dbraw/zinc/66/14/14/501661414.db2.gz QUPROWXBBVHZMA-VURPSTOHSA-N 2 2 352.482 3.259 20 30 FGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000602703706 506267888 /nfs/dbraw/zinc/26/78/88/506267888.db2.gz BPZIGZRAKFTYEW-GOSISDBHSA-N 2 2 366.509 3.211 20 30 FGEDLP Cn1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000602733202 506279092 /nfs/dbraw/zinc/27/90/92/506279092.db2.gz LHBDTPDIKUBKIW-UHFFFAOYSA-N 2 2 363.509 3.409 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483514144 502416996 /nfs/dbraw/zinc/41/69/96/502416996.db2.gz QSBIFYCVIUARFS-VXKWHMMOSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483514144 502417001 /nfs/dbraw/zinc/41/70/01/502417001.db2.gz QSBIFYCVIUARFS-VXKWHMMOSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483514144 502417005 /nfs/dbraw/zinc/41/70/05/502417005.db2.gz QSBIFYCVIUARFS-VXKWHMMOSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483514144 502417010 /nfs/dbraw/zinc/41/70/10/502417010.db2.gz QSBIFYCVIUARFS-VXKWHMMOSA-N 2 2 367.537 3.174 20 30 FGEDLP CO[C@H](CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000463280745 502744641 /nfs/dbraw/zinc/74/46/41/502744641.db2.gz JKMJQCMSEDUBBZ-QGZVFWFLSA-N 2 2 355.404 3.080 20 30 FGEDLP C=CCCc1ccccc1NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000505039951 502844069 /nfs/dbraw/zinc/84/40/69/502844069.db2.gz RREGWOVSQHMKHD-SFHVURJKSA-N 2 2 370.541 3.437 20 30 FGEDLP C=CCCc1ccccc1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000505039951 502844071 /nfs/dbraw/zinc/84/40/71/502844071.db2.gz RREGWOVSQHMKHD-SFHVURJKSA-N 2 2 370.541 3.437 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489326470 502930167 /nfs/dbraw/zinc/93/01/67/502930167.db2.gz IXWBCDITRCPXFO-IBGZPJMESA-N 2 2 370.541 3.209 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489326470 502930171 /nfs/dbraw/zinc/93/01/71/502930171.db2.gz IXWBCDITRCPXFO-IBGZPJMESA-N 2 2 370.541 3.209 20 30 FGEDLP N#Cc1ccc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000513754503 503016913 /nfs/dbraw/zinc/01/69/13/503016913.db2.gz LRVLRCNSQFPAKA-QFIPXVFZSA-N 2 2 360.505 3.391 20 30 FGEDLP N#Cc1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000513754503 503016915 /nfs/dbraw/zinc/01/69/15/503016915.db2.gz LRVLRCNSQFPAKA-QFIPXVFZSA-N 2 2 360.505 3.391 20 30 FGEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000516689522 503569515 /nfs/dbraw/zinc/56/95/15/503569515.db2.gz HAOMPNHOOUTBAG-INIZCTEOSA-N 2 2 355.404 3.023 20 30 FGEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000516689522 503569519 /nfs/dbraw/zinc/56/95/19/503569519.db2.gz HAOMPNHOOUTBAG-INIZCTEOSA-N 2 2 355.404 3.023 20 30 FGEDLP CCn1nc(C)c(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000537294147 503871692 /nfs/dbraw/zinc/87/16/92/503871692.db2.gz YSRWPFHXECUCJY-UHFFFAOYSA-N 2 2 351.498 3.146 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1cn2c(cccc2C)[nH+]1)C(C)C ZINC000537595949 503967540 /nfs/dbraw/zinc/96/75/40/503967540.db2.gz DZXBMGFCETUJFB-LJQANCHMSA-N 2 2 369.513 3.141 20 30 FGEDLP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593688375 506731234 /nfs/dbraw/zinc/73/12/34/506731234.db2.gz PXEOAEKBNDJOGN-UHFFFAOYSA-N 2 2 362.477 3.271 20 30 FGEDLP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594446290 507137782 /nfs/dbraw/zinc/13/77/82/507137782.db2.gz PCJLLOGJGGJHRW-KRWDZBQOSA-N 2 2 367.497 3.173 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3noc4ccccc34)CC2)cc1 ZINC000594956919 507331232 /nfs/dbraw/zinc/33/12/32/507331232.db2.gz XXFZDWMWVCZBOH-UHFFFAOYSA-N 2 2 360.461 3.496 20 30 FGEDLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000595001006 507348613 /nfs/dbraw/zinc/34/86/13/507348613.db2.gz OSWJCLOQKUOGAS-JPYJTQIMSA-N 2 2 363.505 3.277 20 30 FGEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C(C)(C)c3cccc(C#N)c3)c2cc1C ZINC000595634891 507605921 /nfs/dbraw/zinc/60/59/21/507605921.db2.gz HLDNFQLIJSOZMM-IBGZPJMESA-N 2 2 362.477 3.411 20 30 FGEDLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602492293 507726215 /nfs/dbraw/zinc/72/62/15/507726215.db2.gz GEGVYJXEIXQJGX-GOSISDBHSA-N 2 2 356.514 3.258 20 30 FGEDLP CN(C)C(=[NH+]C[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N(C)C ZINC000303869508 713789072 /nfs/dbraw/zinc/78/90/72/713789072.db2.gz AYVDTQWUNMYWES-SFHVURJKSA-N 2 2 356.539 3.327 20 30 FGEDLP CN(C)C(=[NH+]C[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N(C)C ZINC000303869508 713789074 /nfs/dbraw/zinc/78/90/74/713789074.db2.gz AYVDTQWUNMYWES-SFHVURJKSA-N 2 2 356.539 3.327 20 30 FGEDLP Cc1ccc(CC#N)c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)[nH+]1 ZINC001164862454 721006786 /nfs/dbraw/zinc/00/67/86/721006786.db2.gz QKGJKTUZFOYRGK-MRXNPFEDSA-N 2 2 352.486 3.074 20 30 FGEDLP Cc1ccc(CC#N)c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)[nH+]1 ZINC001164862454 721006791 /nfs/dbraw/zinc/00/67/91/721006791.db2.gz QKGJKTUZFOYRGK-MRXNPFEDSA-N 2 2 352.486 3.074 20 30 FGEDLP CCCCCCCCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000734264416 722505567 /nfs/dbraw/zinc/50/55/67/722505567.db2.gz VJHFHVOQZOYFOO-SFHVURJKSA-N 2 2 352.567 3.205 20 30 FGEDLP CCCCCCCCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000734264416 722505568 /nfs/dbraw/zinc/50/55/68/722505568.db2.gz VJHFHVOQZOYFOO-SFHVURJKSA-N 2 2 352.567 3.205 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)CC2)c1 ZINC000846114054 730930043 /nfs/dbraw/zinc/93/00/43/730930043.db2.gz FJEAWWYVGXIZNW-VAMGGRTRSA-N 2 2 373.591 3.492 20 30 FGEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000112660335 495218517 /nfs/dbraw/zinc/21/85/17/495218517.db2.gz BEMBFKDBTWMBHQ-ICSRJNTNSA-N 2 2 368.525 3.329 20 30 FGEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000112660335 495218521 /nfs/dbraw/zinc/21/85/21/495218521.db2.gz BEMBFKDBTWMBHQ-ICSRJNTNSA-N 2 2 368.525 3.329 20 30 FGEDLP N#C[C@H]1CCC[C@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185785679 495725754 /nfs/dbraw/zinc/72/57/54/495725754.db2.gz XTSXAJFHUFVVQP-VXKWHMMOSA-N 2 2 354.542 3.256 20 30 FGEDLP FC(F)(F)Oc1ccc(C#CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000151219886 495775712 /nfs/dbraw/zinc/77/57/12/495775712.db2.gz BLRMQCLPGODBQH-KRWDZBQOSA-N 2 2 352.400 3.354 20 30 FGEDLP FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000151219886 495775720 /nfs/dbraw/zinc/77/57/20/495775720.db2.gz BLRMQCLPGODBQH-KRWDZBQOSA-N 2 2 352.400 3.354 20 30 FGEDLP N#Cc1ccccc1CSCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000268825208 496796919 /nfs/dbraw/zinc/79/69/19/496796919.db2.gz UBMTVXXLJHWODG-UHFFFAOYSA-N 2 2 352.507 3.445 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)CC2)cc1 ZINC000252734525 497319289 /nfs/dbraw/zinc/31/92/89/497319289.db2.gz NGCZPIDGOUWVCB-BHDDXSALSA-N 2 2 365.521 3.460 20 30 FGEDLP COc1cc(NC(=O)[C@H]2CCC[N@@H+]2C)ccc1NC(=O)[C@H]1CCC[NH+]1C ZINC000329713558 497877396 /nfs/dbraw/zinc/87/73/96/497877396.db2.gz RRKDQCRHLJWAKT-HZPDHXFCSA-N 2 2 360.458 3.060 20 30 FGEDLP COc1cc(NC(=O)[C@H]2CCC[N@H+]2C)ccc1NC(=O)[C@H]1CCC[NH+]1C ZINC000329713558 497877400 /nfs/dbraw/zinc/87/74/00/497877400.db2.gz RRKDQCRHLJWAKT-HZPDHXFCSA-N 2 2 360.458 3.060 20 30 FGEDLP COc1cc(NC(=O)[C@H]2CCC[NH+]2C)ccc1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000329713558 497877405 /nfs/dbraw/zinc/87/74/05/497877405.db2.gz RRKDQCRHLJWAKT-HZPDHXFCSA-N 2 2 360.458 3.060 20 30 FGEDLP COc1cc(NC(=O)[C@H]2CCC[NH+]2C)ccc1NC(=O)[C@H]1CCC[N@H+]1C ZINC000329713558 497877411 /nfs/dbraw/zinc/87/74/11/497877411.db2.gz RRKDQCRHLJWAKT-HZPDHXFCSA-N 2 2 360.458 3.060 20 30 FGEDLP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281961107 498335356 /nfs/dbraw/zinc/33/53/56/498335356.db2.gz GEDPFIYVVRPVGH-UYAOXDASSA-N 2 2 350.466 3.004 20 30 FGEDLP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281961107 498335362 /nfs/dbraw/zinc/33/53/62/498335362.db2.gz GEDPFIYVVRPVGH-UYAOXDASSA-N 2 2 350.466 3.004 20 30 FGEDLP COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282203266 498421329 /nfs/dbraw/zinc/42/13/29/498421329.db2.gz XJHZTISSZNGBFX-SFHVURJKSA-N 2 2 350.466 3.479 20 30 FGEDLP COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282203266 498421337 /nfs/dbraw/zinc/42/13/37/498421337.db2.gz XJHZTISSZNGBFX-SFHVURJKSA-N 2 2 350.466 3.479 20 30 FGEDLP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OCCCC#N ZINC000293625907 498431929 /nfs/dbraw/zinc/43/19/29/498431929.db2.gz LAIOWQNGQNSIFE-OAQYLSRUSA-N 2 2 357.498 3.295 20 30 FGEDLP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OCCCC#N ZINC000293625907 498431934 /nfs/dbraw/zinc/43/19/34/498431934.db2.gz LAIOWQNGQNSIFE-OAQYLSRUSA-N 2 2 357.498 3.295 20 30 FGEDLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OCCCC#N ZINC000293625907 498431940 /nfs/dbraw/zinc/43/19/40/498431940.db2.gz LAIOWQNGQNSIFE-OAQYLSRUSA-N 2 2 357.498 3.295 20 30 FGEDLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1OCCCC#N ZINC000293625907 498431943 /nfs/dbraw/zinc/43/19/43/498431943.db2.gz LAIOWQNGQNSIFE-OAQYLSRUSA-N 2 2 357.498 3.295 20 30 FGEDLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OCCCC#N ZINC000293625903 498432518 /nfs/dbraw/zinc/43/25/18/498432518.db2.gz LAIOWQNGQNSIFE-NRFANRHFSA-N 2 2 357.498 3.295 20 30 FGEDLP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OCCCC#N ZINC000293625903 498432522 /nfs/dbraw/zinc/43/25/22/498432522.db2.gz LAIOWQNGQNSIFE-NRFANRHFSA-N 2 2 357.498 3.295 20 30 FGEDLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1OCCCC#N ZINC000293625903 498432527 /nfs/dbraw/zinc/43/25/27/498432527.db2.gz LAIOWQNGQNSIFE-NRFANRHFSA-N 2 2 357.498 3.295 20 30 FGEDLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1OCCCC#N ZINC000293625903 498432534 /nfs/dbraw/zinc/43/25/34/498432534.db2.gz LAIOWQNGQNSIFE-NRFANRHFSA-N 2 2 357.498 3.295 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc(C#N)cc3F)[C@@H](C)C2)s1 ZINC000362217970 498476613 /nfs/dbraw/zinc/47/66/13/498476613.db2.gz HGQCJLJMDZNPDG-DJJJIMSYSA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc(C#N)cc3F)[C@@H](C)C2)s1 ZINC000362217970 498476620 /nfs/dbraw/zinc/47/66/20/498476620.db2.gz HGQCJLJMDZNPDG-DJJJIMSYSA-N 2 2 358.486 3.463 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(-c4nc[nH]n4)c3)CC2)cc1 ZINC000362241670 498479996 /nfs/dbraw/zinc/47/99/96/498479996.db2.gz YQLSSSLMKITJSO-UHFFFAOYSA-N 2 2 372.476 3.098 20 30 FGEDLP C[NH+]1CCC(Oc2ccc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2)CC1 ZINC000329158135 499058472 /nfs/dbraw/zinc/05/84/72/499058472.db2.gz WUGQSPKFUXOFEG-QGZVFWFLSA-N 2 2 368.481 3.075 20 30 FGEDLP Cc1cc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c[nH+]c1N1CCCC[C@@H]1C ZINC000329335448 499102865 /nfs/dbraw/zinc/10/28/65/499102865.db2.gz LGAGZVAUJUZXHM-JENIJYKNSA-N 2 2 371.529 3.340 20 30 FGEDLP Cc1cc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c[nH+]c1N1CCCC[C@@H]1C ZINC000329335448 499102870 /nfs/dbraw/zinc/10/28/70/499102870.db2.gz LGAGZVAUJUZXHM-JENIJYKNSA-N 2 2 371.529 3.340 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCOc3ccc(C#N)cc3)[C@@H](C)C2)s1 ZINC000372732736 499167966 /nfs/dbraw/zinc/16/79/66/499167966.db2.gz RHCXQADNBHJAJT-MGPUTAFESA-N 2 2 370.522 3.202 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCOc3ccc(C#N)cc3)[C@@H](C)C2)s1 ZINC000372732736 499167969 /nfs/dbraw/zinc/16/79/69/499167969.db2.gz RHCXQADNBHJAJT-MGPUTAFESA-N 2 2 370.522 3.202 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3F)[C@@H](C)C2)s1 ZINC000375514374 499527335 /nfs/dbraw/zinc/52/73/35/499527335.db2.gz NPVVRZQOUQRIGE-ORAYPTAESA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3F)[C@@H](C)C2)s1 ZINC000375514374 499527336 /nfs/dbraw/zinc/52/73/36/499527336.db2.gz NPVVRZQOUQRIGE-ORAYPTAESA-N 2 2 358.486 3.463 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1OC ZINC000414803912 499832737 /nfs/dbraw/zinc/83/27/37/499832737.db2.gz XCDXRYSAYGXICN-AWEZNQCLSA-N 2 2 357.292 3.095 20 30 FGEDLP C=CCn1cc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000424290093 500481744 /nfs/dbraw/zinc/48/17/44/500481744.db2.gz BFEWFBMTSQZEFG-BAGYTPMASA-N 2 2 365.525 3.245 20 30 FGEDLP C=CCn1cc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000424290093 500481746 /nfs/dbraw/zinc/48/17/46/500481746.db2.gz BFEWFBMTSQZEFG-BAGYTPMASA-N 2 2 365.525 3.245 20 30 FGEDLP C=CCC[C@H](C)[NH2+]CC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000449555311 501032497 /nfs/dbraw/zinc/03/24/97/501032497.db2.gz QWOGJLGLMKLRND-FQEVSTJZSA-N 2 2 357.542 3.302 20 30 FGEDLP C=CC(C)(C)CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000458988008 501571868 /nfs/dbraw/zinc/57/18/68/501571868.db2.gz NNKNGZUCPXNOSQ-RBUKOAKNSA-N 2 2 364.578 3.177 20 30 FGEDLP C=CC(C)(C)CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000458988008 501571870 /nfs/dbraw/zinc/57/18/70/501571870.db2.gz NNKNGZUCPXNOSQ-RBUKOAKNSA-N 2 2 364.578 3.177 20 30 FGEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471004510 501887808 /nfs/dbraw/zinc/88/78/08/501887808.db2.gz HVQOTIVOPLVARY-UXHICEINSA-N 2 2 360.933 3.397 20 30 FGEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471004510 501887812 /nfs/dbraw/zinc/88/78/12/501887812.db2.gz HVQOTIVOPLVARY-UXHICEINSA-N 2 2 360.933 3.397 20 30 FGEDLP CCC1([NH+](C)C)CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000602740614 506281853 /nfs/dbraw/zinc/28/18/53/506281853.db2.gz XJOIGRHYELCYDX-UHFFFAOYSA-N 2 2 351.498 3.265 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000533762038 503944715 /nfs/dbraw/zinc/94/47/15/503944715.db2.gz SJJUUZJLTIDZLN-SFHVURJKSA-N 2 2 352.482 3.010 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000533762038 503944718 /nfs/dbraw/zinc/94/47/18/503944718.db2.gz SJJUUZJLTIDZLN-SFHVURJKSA-N 2 2 352.482 3.010 20 30 FGEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543988452 503961602 /nfs/dbraw/zinc/96/16/02/503961602.db2.gz QXDYUKUCTTXOSL-QGZVFWFLSA-N 2 2 365.481 3.274 20 30 FGEDLP C=CC[NH+]1CCC(NC(=O)CCn2c(CCC)[nH+]c3ccccc32)CC1 ZINC000537642920 503989229 /nfs/dbraw/zinc/98/92/29/503989229.db2.gz GYDNUFXKZXRFTN-UHFFFAOYSA-N 2 2 354.498 3.146 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2C#N)[C@@H](C)C1 ZINC000553889705 505034270 /nfs/dbraw/zinc/03/42/70/505034270.db2.gz VQIHLFKSVYEQDY-SUMWQHHRSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2C#N)[C@@H](C)C1 ZINC000553889705 505034263 /nfs/dbraw/zinc/03/42/63/505034263.db2.gz VQIHLFKSVYEQDY-SUMWQHHRSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2C#N)[C@@H](C)C1 ZINC000553889705 505034264 /nfs/dbraw/zinc/03/42/64/505034264.db2.gz VQIHLFKSVYEQDY-SUMWQHHRSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2C#N)[C@@H](C)C1 ZINC000553889705 505034267 /nfs/dbraw/zinc/03/42/67/505034267.db2.gz VQIHLFKSVYEQDY-SUMWQHHRSA-N 2 2 350.304 3.483 20 30 FGEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1C(F)(F)F ZINC000563791640 505239390 /nfs/dbraw/zinc/23/93/90/505239390.db2.gz ZHGCUWYIVOXEMW-KBAYOESNSA-N 2 2 367.415 3.261 20 30 FGEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1C(F)(F)F ZINC000563791640 505239393 /nfs/dbraw/zinc/23/93/93/505239393.db2.gz ZHGCUWYIVOXEMW-KBAYOESNSA-N 2 2 367.415 3.261 20 30 FGEDLP N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000589316845 506514392 /nfs/dbraw/zinc/51/43/92/506514392.db2.gz GLQCNKXKAIKLGK-NZSAHSFTSA-N 2 2 352.507 3.405 20 30 FGEDLP N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000589316845 506514397 /nfs/dbraw/zinc/51/43/97/506514397.db2.gz GLQCNKXKAIKLGK-NZSAHSFTSA-N 2 2 352.507 3.405 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC(Nc3cc(NCC4CC4)[nH+]cn3)CC2)c1 ZINC000593514972 506663422 /nfs/dbraw/zinc/66/34/22/506663422.db2.gz IJMJKETWNUKOIS-UHFFFAOYSA-N 2 2 362.481 3.247 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC(Nc3cc(NCC4CC4)nc[nH+]3)CC2)c1 ZINC000593514972 506663429 /nfs/dbraw/zinc/66/34/29/506663429.db2.gz IJMJKETWNUKOIS-UHFFFAOYSA-N 2 2 362.481 3.247 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3c[nH]nc3-c3cccnc3)CC2)c1 ZINC000593687593 506730923 /nfs/dbraw/zinc/73/09/23/506730923.db2.gz JVQPKZPNFBFXGN-UHFFFAOYSA-N 2 2 372.476 3.098 20 30 FGEDLP COc1cc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc(OC)c1 ZINC000593688899 506732835 /nfs/dbraw/zinc/73/28/35/506732835.db2.gz XEHIMOHGIOWGQJ-UHFFFAOYSA-N 2 2 365.477 3.330 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157724 506798178 /nfs/dbraw/zinc/79/81/78/506798178.db2.gz SAQWJVHLUJCVAY-CJNGLKHVSA-N 2 2 357.845 3.072 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157724 506798185 /nfs/dbraw/zinc/79/81/85/506798185.db2.gz SAQWJVHLUJCVAY-CJNGLKHVSA-N 2 2 357.845 3.072 20 30 FGEDLP COC(=O)c1oc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1C ZINC000597158595 506804523 /nfs/dbraw/zinc/80/45/23/506804523.db2.gz VDMXNPIOXMNUIC-UHFFFAOYSA-N 2 2 367.449 3.001 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000595000357 507349341 /nfs/dbraw/zinc/34/93/41/507349341.db2.gz GCSMXOPOLFMQJB-UHFFFAOYSA-N 3 2 366.553 3.234 20 30 FGEDLP CC(C)[NH+]1CCC([NH+]2CCN([C@H](C#N)c3ccc(Cl)cc3)CC2)CC1 ZINC000595381396 507476414 /nfs/dbraw/zinc/47/64/14/507476414.db2.gz JPVVDDXLJDVIHE-HXUWFJFHSA-N 2 2 360.933 3.395 20 30 FGEDLP CC[NH+]1CCC([N@@H+]2CCCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)CC1 ZINC000595545217 507553307 /nfs/dbraw/zinc/55/33/07/507553307.db2.gz FHHRYHKOJBECAW-FQEVSTJZSA-N 2 2 360.933 3.397 20 30 FGEDLP CC[NH+]1CCC([N@H+]2CCCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)CC1 ZINC000595545217 507553313 /nfs/dbraw/zinc/55/33/13/507553313.db2.gz FHHRYHKOJBECAW-FQEVSTJZSA-N 2 2 360.933 3.397 20 30 FGEDLP Cc1cccn2cc(CC[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)[nH+]c12 ZINC000586790629 507673076 /nfs/dbraw/zinc/67/30/76/507673076.db2.gz VPZPYYPKNWADMN-UHFFFAOYSA-N 2 2 359.477 3.316 20 30 FGEDLP CN(C)C(=[NH+]C[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)N(C)C ZINC000303869506 713789151 /nfs/dbraw/zinc/78/91/51/713789151.db2.gz AYVDTQWUNMYWES-GOSISDBHSA-N 2 2 356.539 3.327 20 30 FGEDLP CN(C)C(=[NH+]C[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)N(C)C ZINC000303869506 713789153 /nfs/dbraw/zinc/78/91/53/713789153.db2.gz AYVDTQWUNMYWES-GOSISDBHSA-N 2 2 356.539 3.327 20 30 FGEDLP Cc1[nH+]c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)ccc1CC#N ZINC001164857361 721006727 /nfs/dbraw/zinc/00/67/27/721006727.db2.gz DIOSYDNWVANYKT-MRXNPFEDSA-N 2 2 352.486 3.074 20 30 FGEDLP Cc1[nH+]c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)ccc1CC#N ZINC001164857361 721006736 /nfs/dbraw/zinc/00/67/36/721006736.db2.gz DIOSYDNWVANYKT-MRXNPFEDSA-N 2 2 352.486 3.074 20 30 FGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000815652153 727088891 /nfs/dbraw/zinc/08/88/91/727088891.db2.gz RDWYBOLPZLQJCW-KRWDZBQOSA-N 2 2 362.539 3.009 20 30 FGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000815652153 727088895 /nfs/dbraw/zinc/08/88/95/727088895.db2.gz RDWYBOLPZLQJCW-KRWDZBQOSA-N 2 2 362.539 3.009 20 30 FGEDLP N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000080960219 493800204 /nfs/dbraw/zinc/80/02/04/493800204.db2.gz UOTUYVDWKAKSOW-CYBMUJFWSA-N 2 2 369.494 3.040 20 30 FGEDLP N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000080960219 493800207 /nfs/dbraw/zinc/80/02/07/493800207.db2.gz UOTUYVDWKAKSOW-CYBMUJFWSA-N 2 2 369.494 3.040 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984244 493807567 /nfs/dbraw/zinc/80/75/67/493807567.db2.gz GDDOCKIBTLGJAV-JSGCOSHPSA-N 2 2 357.845 3.141 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984244 493807571 /nfs/dbraw/zinc/80/75/71/493807571.db2.gz GDDOCKIBTLGJAV-JSGCOSHPSA-N 2 2 357.845 3.141 20 30 FGEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@@H]21 ZINC000092043134 494766686 /nfs/dbraw/zinc/76/66/86/494766686.db2.gz XBHUSKMGZKTFNE-FPOVZHCZSA-N 2 2 363.509 3.380 20 30 FGEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@@H]21 ZINC000092043134 494766689 /nfs/dbraw/zinc/76/66/89/494766689.db2.gz XBHUSKMGZKTFNE-FPOVZHCZSA-N 2 2 363.509 3.380 20 30 FGEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@@H]21 ZINC000092043134 494766695 /nfs/dbraw/zinc/76/66/95/494766695.db2.gz XBHUSKMGZKTFNE-FPOVZHCZSA-N 2 2 363.509 3.380 20 30 FGEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@@H]21 ZINC000092043134 494766700 /nfs/dbraw/zinc/76/67/00/494766700.db2.gz XBHUSKMGZKTFNE-FPOVZHCZSA-N 2 2 363.509 3.380 20 30 FGEDLP CC[NH+]1CCN(c2ccc(NCc3c[nH+]c4ccc(C#N)cn34)c(C)c2)CC1 ZINC000092117492 494796175 /nfs/dbraw/zinc/79/61/75/494796175.db2.gz VKERAPUAZHYMPP-UHFFFAOYSA-N 2 2 374.492 3.268 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123925611 495207865 /nfs/dbraw/zinc/20/78/65/495207865.db2.gz NXYCMJLHGZRNFC-ULQDDVLXSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123925611 495207868 /nfs/dbraw/zinc/20/78/68/495207868.db2.gz NXYCMJLHGZRNFC-ULQDDVLXSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123925611 495207870 /nfs/dbraw/zinc/20/78/70/495207870.db2.gz NXYCMJLHGZRNFC-ULQDDVLXSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123925611 495207873 /nfs/dbraw/zinc/20/78/73/495207873.db2.gz NXYCMJLHGZRNFC-ULQDDVLXSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC([NH+](C)C)CC3)sc2C1 ZINC000134983398 495234320 /nfs/dbraw/zinc/23/43/20/495234320.db2.gz NHYPMTHPAJQNDD-CQSZACIVSA-N 2 2 374.554 3.099 20 30 FGEDLP N#Cc1ccc2[nH+]cc(CNc3cccc(C[NH+]4CCSCC4)c3)n2c1 ZINC000125284680 495420102 /nfs/dbraw/zinc/42/01/02/495420102.db2.gz SWLNXRKWISWDSI-UHFFFAOYSA-N 2 2 363.490 3.367 20 30 FGEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC[C@@H]21 ZINC000158575884 495541668 /nfs/dbraw/zinc/54/16/68/495541668.db2.gz WOCYWQAONHIQKI-LPHOPBHVSA-N 2 2 374.916 3.003 20 30 FGEDLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC[C@@H]21 ZINC000158575884 495541670 /nfs/dbraw/zinc/54/16/70/495541670.db2.gz WOCYWQAONHIQKI-LPHOPBHVSA-N 2 2 374.916 3.003 20 30 FGEDLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC[C@@H]21 ZINC000158575884 495541673 /nfs/dbraw/zinc/54/16/73/495541673.db2.gz WOCYWQAONHIQKI-LPHOPBHVSA-N 2 2 374.916 3.003 20 30 FGEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC[C@@H]21 ZINC000158575884 495541676 /nfs/dbraw/zinc/54/16/76/495541676.db2.gz WOCYWQAONHIQKI-LPHOPBHVSA-N 2 2 374.916 3.003 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150789313 495635795 /nfs/dbraw/zinc/63/57/95/495635795.db2.gz LYLRVPOSKGSWCB-QZTJIDSGSA-N 2 2 361.555 3.069 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150789313 495635801 /nfs/dbraw/zinc/63/58/01/495635801.db2.gz LYLRVPOSKGSWCB-QZTJIDSGSA-N 2 2 361.555 3.069 20 30 FGEDLP C[C@H](O[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1)c1nc(C2CC2)no1 ZINC000174131594 495831304 /nfs/dbraw/zinc/83/13/04/495831304.db2.gz FPMUTVIFVZRFBB-AWEZNQCLSA-N 2 2 369.469 3.331 20 30 FGEDLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1ccco1 ZINC000160602371 496000543 /nfs/dbraw/zinc/00/05/43/496000543.db2.gz DVZRKQZJPVDFJQ-GFCCVEGCSA-N 2 2 356.348 3.208 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOc3cccc(F)c3)CC2)cc1 ZINC000181553903 496442919 /nfs/dbraw/zinc/44/29/19/496442919.db2.gz GUKKMMHTBCDKFN-UHFFFAOYSA-N 2 2 353.441 3.330 20 30 FGEDLP CC(C)c1noc(CCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000181666269 496494656 /nfs/dbraw/zinc/49/46/56/496494656.db2.gz PAACHMGYXUPUGY-UHFFFAOYSA-N 2 2 367.497 3.251 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000181921078 496600080 /nfs/dbraw/zinc/60/00/80/496600080.db2.gz ZPXOJVUWRWTSLR-UHFFFAOYSA-N 2 2 350.422 3.221 20 30 FGEDLP CC(C)[NH+]1CCC(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)CC1 ZINC000269622898 496979270 /nfs/dbraw/zinc/97/92/70/496979270.db2.gz FGVWVWNBWZAHFO-UHFFFAOYSA-N 2 2 359.945 3.182 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)C(C)C ZINC000252664101 497316792 /nfs/dbraw/zinc/31/67/92/497316792.db2.gz UVHYVERUBIYFMU-AQNXPRMDSA-N 2 2 373.545 3.174 20 30 FGEDLP C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000329946749 497964759 /nfs/dbraw/zinc/96/47/59/497964759.db2.gz JTMHHDMNLRPQRV-MSOLQXFVSA-N 2 2 361.534 3.335 20 30 FGEDLP Cc1cccc(NC2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)[nH+]1 ZINC000360521211 498281548 /nfs/dbraw/zinc/28/15/48/498281548.db2.gz TVYAOXSWPDUGRL-UHFFFAOYSA-N 2 2 374.448 3.388 20 30 FGEDLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@H]3CCCn4cc[nH+]c43)C2)CC1 ZINC000328618451 498878106 /nfs/dbraw/zinc/87/81/06/498878106.db2.gz VDJIRBHXJHMZFA-RBUKOAKNSA-N 2 2 373.545 3.118 20 30 FGEDLP COc1ccc(C#N)cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333069782 498888477 /nfs/dbraw/zinc/88/84/77/498888477.db2.gz UTVHYHXGIXOJBD-UHFFFAOYSA-N 2 2 350.466 3.479 20 30 FGEDLP CC1(C)C[N@@H+](C2(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCCCC2)CCO1 ZINC000329008382 499013712 /nfs/dbraw/zinc/01/37/12/499013712.db2.gz YURPBVCWHXZDGO-QGZVFWFLSA-N 2 2 374.529 3.216 20 30 FGEDLP CC1(C)C[N@H+](C2(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)CCCCC2)CCO1 ZINC000329008382 499013718 /nfs/dbraw/zinc/01/37/18/499013718.db2.gz YURPBVCWHXZDGO-QGZVFWFLSA-N 2 2 374.529 3.216 20 30 FGEDLP C[N@@H+](CC#Cc1ccc(F)cc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000438449819 500787105 /nfs/dbraw/zinc/78/71/05/500787105.db2.gz DENUOIFMTPSBTB-UHFFFAOYSA-N 3 2 371.544 3.305 20 30 FGEDLP C[N@H+](CC#Cc1ccc(F)cc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000438449819 500787108 /nfs/dbraw/zinc/78/71/08/500787108.db2.gz DENUOIFMTPSBTB-UHFFFAOYSA-N 3 2 371.544 3.305 20 30 FGEDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H](C#N)C3)CC2)cc1 ZINC000449521797 501024294 /nfs/dbraw/zinc/02/42/94/501024294.db2.gz HPAJLBSEDZOQGG-WIYYLYMNSA-N 2 2 354.498 3.281 20 30 FGEDLP C[N@H+](CCOc1ccc(C#N)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452108533 501436990 /nfs/dbraw/zinc/43/69/90/501436990.db2.gz FEYHRJTUZHCTSR-UHFFFAOYSA-N 2 2 355.404 3.286 20 30 FGEDLP C[N@@H+](CCOc1ccc(C#N)cc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452108533 501436991 /nfs/dbraw/zinc/43/69/91/501436991.db2.gz FEYHRJTUZHCTSR-UHFFFAOYSA-N 2 2 355.404 3.286 20 30 FGEDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]C3CCC(C#N)CC3)CC2)cc1 ZINC000602684004 506260032 /nfs/dbraw/zinc/26/00/32/506260032.db2.gz CVOIYKMDIQCXSW-UHFFFAOYSA-N 2 2 354.498 3.281 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000468487315 502077184 /nfs/dbraw/zinc/07/71/84/502077184.db2.gz HHDFEQQYNZEMMF-HNNXBMFYSA-N 2 2 359.433 3.407 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000468487315 502077188 /nfs/dbraw/zinc/07/71/88/502077188.db2.gz HHDFEQQYNZEMMF-HNNXBMFYSA-N 2 2 359.433 3.407 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475735467 502271359 /nfs/dbraw/zinc/27/13/59/502271359.db2.gz SXDGLADGEAULTN-QHCPKHFHSA-N 2 2 367.537 3.175 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475735467 502271365 /nfs/dbraw/zinc/27/13/65/502271365.db2.gz SXDGLADGEAULTN-QHCPKHFHSA-N 2 2 367.537 3.175 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475735467 502271368 /nfs/dbraw/zinc/27/13/68/502271368.db2.gz SXDGLADGEAULTN-QHCPKHFHSA-N 2 2 367.537 3.175 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475735467 502271373 /nfs/dbraw/zinc/27/13/73/502271373.db2.gz SXDGLADGEAULTN-QHCPKHFHSA-N 2 2 367.537 3.175 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000469859308 502572552 /nfs/dbraw/zinc/57/25/52/502572552.db2.gz BCPINLNPEOGCSI-JSGCOSHPSA-N 2 2 369.303 3.192 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000469859308 502572555 /nfs/dbraw/zinc/57/25/55/502572555.db2.gz BCPINLNPEOGCSI-JSGCOSHPSA-N 2 2 369.303 3.192 20 30 FGEDLP Cn1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490433116 503173502 /nfs/dbraw/zinc/17/35/02/503173502.db2.gz NKTBYGRYCVWRQA-FQEVSTJZSA-N 2 2 359.433 3.007 20 30 FGEDLP Cn1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490433116 503173504 /nfs/dbraw/zinc/17/35/04/503173504.db2.gz NKTBYGRYCVWRQA-FQEVSTJZSA-N 2 2 359.433 3.007 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512278793 503507416 /nfs/dbraw/zinc/50/74/16/503507416.db2.gz RLSFZXPIMZQZCQ-JOCHJYFZSA-N 2 2 355.526 3.009 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512278793 503507419 /nfs/dbraw/zinc/50/74/19/503507419.db2.gz RLSFZXPIMZQZCQ-JOCHJYFZSA-N 2 2 355.526 3.009 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512278793 503507421 /nfs/dbraw/zinc/50/74/21/503507421.db2.gz RLSFZXPIMZQZCQ-JOCHJYFZSA-N 2 2 355.526 3.009 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512278793 503507423 /nfs/dbraw/zinc/50/74/23/503507423.db2.gz RLSFZXPIMZQZCQ-JOCHJYFZSA-N 2 2 355.526 3.009 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512292606 503511637 /nfs/dbraw/zinc/51/16/37/503511637.db2.gz QHUZFCGRMXHNGN-OFNKIYASSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512292606 503511638 /nfs/dbraw/zinc/51/16/38/503511638.db2.gz QHUZFCGRMXHNGN-OFNKIYASSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512292606 503511639 /nfs/dbraw/zinc/51/16/39/503511639.db2.gz QHUZFCGRMXHNGN-OFNKIYASSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512292606 503511640 /nfs/dbraw/zinc/51/16/40/503511640.db2.gz QHUZFCGRMXHNGN-OFNKIYASSA-N 2 2 367.537 3.174 20 30 FGEDLP C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603657 504194984 /nfs/dbraw/zinc/19/49/84/504194984.db2.gz RNIHLUSSMCCCCN-QAPCUYQASA-N 2 2 365.481 3.351 20 30 FGEDLP C[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603657 504194990 /nfs/dbraw/zinc/19/49/90/504194990.db2.gz RNIHLUSSMCCCCN-QAPCUYQASA-N 2 2 365.481 3.351 20 30 FGEDLP N#Cc1ccc(NC(=O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1Cl ZINC000535574479 504475478 /nfs/dbraw/zinc/47/54/78/504475478.db2.gz MXVYTCUKEUZSMF-UHFFFAOYSA-N 2 2 369.856 3.122 20 30 FGEDLP CC1(C)CCC(O)(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000565373993 504868298 /nfs/dbraw/zinc/86/82/98/504868298.db2.gz VFEUNKFMRPHFGS-UHFFFAOYSA-N 2 2 355.526 3.444 20 30 FGEDLP CCc1nc(C[NH+]2CCC(CNc3cc(C)[nH+]cc3C#N)CC2)cs1 ZINC000563018451 505022871 /nfs/dbraw/zinc/02/28/71/505022871.db2.gz HSBQFNSMALWURQ-UHFFFAOYSA-N 2 2 355.511 3.027 20 30 FGEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2C#N)[C@@H](C)C1 ZINC000553889702 505034131 /nfs/dbraw/zinc/03/41/31/505034131.db2.gz VQIHLFKSVYEQDY-GUYCJALGSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2C#N)[C@@H](C)C1 ZINC000553889702 505034134 /nfs/dbraw/zinc/03/41/34/505034134.db2.gz VQIHLFKSVYEQDY-GUYCJALGSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2C#N)[C@@H](C)C1 ZINC000553889702 505034137 /nfs/dbraw/zinc/03/41/37/505034137.db2.gz VQIHLFKSVYEQDY-GUYCJALGSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2C#N)[C@@H](C)C1 ZINC000553889702 505034141 /nfs/dbraw/zinc/03/41/41/505034141.db2.gz VQIHLFKSVYEQDY-GUYCJALGSA-N 2 2 350.304 3.483 20 30 FGEDLP COc1ccc(OC)c(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593688885 506733269 /nfs/dbraw/zinc/73/32/69/506733269.db2.gz WUZAWJAUVUWJKF-UHFFFAOYSA-N 2 2 365.477 3.330 20 30 FGEDLP COC(=O)c1cc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)oc1C ZINC000593703416 506741453 /nfs/dbraw/zinc/74/14/53/506741453.db2.gz USKUYJCQUIOHKU-UHFFFAOYSA-N 2 2 367.449 3.001 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](C3CC3)[C@@H]3CCCCO3)CC2)cc1 ZINC000594507469 507161270 /nfs/dbraw/zinc/16/12/70/507161270.db2.gz CYDXZXMRSJYXHL-FCHUYYIVSA-N 2 2 353.510 3.460 20 30 FGEDLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1cccc(C#N)c1 ZINC000601108869 507262780 /nfs/dbraw/zinc/26/27/80/507262780.db2.gz NSVPYZNCXZVMBB-SFHVURJKSA-N 2 2 365.477 3.120 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000182640392 705854402 /nfs/dbraw/zinc/85/44/02/705854402.db2.gz DQAMONNYXXUGHK-SJLPKXTDSA-N 2 2 351.535 3.405 20 30 FGEDLP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000662798031 720459663 /nfs/dbraw/zinc/45/96/63/720459663.db2.gz PMNLICYMZSIWOB-ZIFCJYIRSA-N 2 2 365.880 3.039 20 30 FGEDLP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000662798031 720459664 /nfs/dbraw/zinc/45/96/64/720459664.db2.gz PMNLICYMZSIWOB-ZIFCJYIRSA-N 2 2 365.880 3.039 20 30 FGEDLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1[nH+]ccc3[nH]cc(C#N)c31)[C@H]2C ZINC001164857183 720990898 /nfs/dbraw/zinc/99/08/98/720990898.db2.gz CUFDKPKHXARVHG-AWEZNQCLSA-N 2 2 363.469 3.052 20 30 FGEDLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1[nH+]ccc3[nH]cc(C#N)c31)[C@H]2C ZINC001164857183 720990909 /nfs/dbraw/zinc/99/09/09/720990909.db2.gz CUFDKPKHXARVHG-AWEZNQCLSA-N 2 2 363.469 3.052 20 30 FGEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccnc(Br)c3)cc2)CC1 ZINC000769804928 723696440 /nfs/dbraw/zinc/69/64/40/723696440.db2.gz KXFWQJQXQHEYKY-UHFFFAOYSA-N 2 2 374.286 3.042 20 30 FGEDLP C[C@]1(Br)C[C@@H]1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000895186709 742385259 /nfs/dbraw/zinc/38/52/59/742385259.db2.gz ALDFNHPHYXVSFL-AEFFLSMTSA-N 2 2 362.315 3.286 20 30 FGEDLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072859890 494268244 /nfs/dbraw/zinc/26/82/44/494268244.db2.gz VVJZRYNHKMQEGI-VQTJNVASSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072859890 494268249 /nfs/dbraw/zinc/26/82/49/494268249.db2.gz VVJZRYNHKMQEGI-VQTJNVASSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072859890 494268251 /nfs/dbraw/zinc/26/82/51/494268251.db2.gz VVJZRYNHKMQEGI-VQTJNVASSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072859890 494268258 /nfs/dbraw/zinc/26/82/58/494268258.db2.gz VVJZRYNHKMQEGI-VQTJNVASSA-N 2 2 370.541 3.212 20 30 FGEDLP C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695270 495683814 /nfs/dbraw/zinc/68/38/14/495683814.db2.gz XKRIJECOPRWVME-CRAIPNDOSA-N 2 2 365.481 3.351 20 30 FGEDLP C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695270 495683820 /nfs/dbraw/zinc/68/38/20/495683820.db2.gz XKRIJECOPRWVME-CRAIPNDOSA-N 2 2 365.481 3.351 20 30 FGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000171563140 495929435 /nfs/dbraw/zinc/92/94/35/495929435.db2.gz WKDHFNXQMMYTPI-KRWDZBQOSA-N 2 2 350.466 3.127 20 30 FGEDLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000181628932 496476643 /nfs/dbraw/zinc/47/66/43/496476643.db2.gz UUGWDSATFVPAPQ-IRXDYDNUSA-N 2 2 357.477 3.062 20 30 FGEDLP C=CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1cccs1 ZINC000181641169 496482242 /nfs/dbraw/zinc/48/22/42/496482242.db2.gz BQWPBIORQCOODC-IBGZPJMESA-N 2 2 357.523 3.155 20 30 FGEDLP C=CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1cccs1 ZINC000181641169 496482246 /nfs/dbraw/zinc/48/22/46/496482246.db2.gz BQWPBIORQCOODC-IBGZPJMESA-N 2 2 357.523 3.155 20 30 FGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](O)c1ccc(F)cc1 ZINC000181762078 496533239 /nfs/dbraw/zinc/53/32/39/496533239.db2.gz OYRZGXGTQZYSDE-AOMKIAJQSA-N 2 2 367.468 3.373 20 30 FGEDLP Cc1noc(C)c1C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181779240 496541811 /nfs/dbraw/zinc/54/18/11/496541811.db2.gz CGGUUEQPGVBAQR-HNNXBMFYSA-N 2 2 352.482 3.348 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@]4(CCSC4)C3)CC2)cc1 ZINC000182037436 496644045 /nfs/dbraw/zinc/64/40/45/496644045.db2.gz CNJODVOXOFXFQB-NHCUHLMSSA-N 2 2 371.550 3.167 20 30 FGEDLP C=CCC[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000188833804 496923038 /nfs/dbraw/zinc/92/30/38/496923038.db2.gz OLVIQIFWVIGQSZ-QFIPXVFZSA-N 2 2 369.553 3.411 20 30 FGEDLP C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274647074 497137870 /nfs/dbraw/zinc/13/78/70/497137870.db2.gz KTLNTINZWLWPNC-MRXNPFEDSA-N 2 2 372.513 3.025 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266953110 497454732 /nfs/dbraw/zinc/45/47/32/497454732.db2.gz USJIRAONPUBLLM-JKSUJKDBSA-N 2 2 369.444 3.064 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266953110 497454736 /nfs/dbraw/zinc/45/47/36/497454736.db2.gz USJIRAONPUBLLM-JKSUJKDBSA-N 2 2 369.444 3.064 20 30 FGEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)c(F)c1 ZINC000271975758 497501252 /nfs/dbraw/zinc/50/12/52/497501252.db2.gz VMUXVZVULJTQSO-AQKFKSFVSA-N 2 2 367.468 3.231 20 30 FGEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)c(F)c1 ZINC000271975758 497501258 /nfs/dbraw/zinc/50/12/58/497501258.db2.gz VMUXVZVULJTQSO-AQKFKSFVSA-N 2 2 367.468 3.231 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267406046 497543985 /nfs/dbraw/zinc/54/39/85/497543985.db2.gz GWZDOYHEOIBCOF-JKSUJKDBSA-N 2 2 358.511 3.254 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267406046 497543989 /nfs/dbraw/zinc/54/39/89/497543989.db2.gz GWZDOYHEOIBCOF-JKSUJKDBSA-N 2 2 358.511 3.254 20 30 FGEDLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000329645524 497856685 /nfs/dbraw/zinc/85/66/85/497856685.db2.gz AULZKTNEPHIQQF-ZACQAIPSSA-N 2 2 360.502 3.136 20 30 FGEDLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000329645524 497856688 /nfs/dbraw/zinc/85/66/88/497856688.db2.gz AULZKTNEPHIQQF-ZACQAIPSSA-N 2 2 360.502 3.136 20 30 FGEDLP Cc1ccn2cc(CNC(=O)N3CC[NH+](C4CCCCC4)CC3)[nH+]c2c1 ZINC000330136106 498035257 /nfs/dbraw/zinc/03/52/57/498035257.db2.gz NBKWSNJJNPIVRD-UHFFFAOYSA-N 2 2 355.486 3.007 20 30 FGEDLP C[C@@H]1CN(c2ccc(CNC(=O)CC[C@H]3CCCC[N@@H+]3C)c[nH+]2)CCO1 ZINC000330303257 498099017 /nfs/dbraw/zinc/09/90/17/498099017.db2.gz PBESPKBRHCIIRP-SJLPKXTDSA-N 2 2 360.502 3.028 20 30 FGEDLP C[C@@H]1CN(c2ccc(CNC(=O)CC[C@H]3CCCC[N@H+]3C)c[nH+]2)CCO1 ZINC000330303257 498099023 /nfs/dbraw/zinc/09/90/23/498099023.db2.gz PBESPKBRHCIIRP-SJLPKXTDSA-N 2 2 360.502 3.028 20 30 FGEDLP C[N@H+]1Cc2ccccc2[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000360790553 498308070 /nfs/dbraw/zinc/30/80/70/498308070.db2.gz BGQGSNFVZBNGIB-QHCPKHFHSA-N 2 2 360.505 3.299 20 30 FGEDLP C[N@@H+]1Cc2ccccc2[C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000360790553 498308079 /nfs/dbraw/zinc/30/80/79/498308079.db2.gz BGQGSNFVZBNGIB-QHCPKHFHSA-N 2 2 360.505 3.299 20 30 FGEDLP CN1Cc2ccccc2[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000360790553 498308084 /nfs/dbraw/zinc/30/80/84/498308084.db2.gz BGQGSNFVZBNGIB-QHCPKHFHSA-N 2 2 360.505 3.299 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1 ZINC000282002795 498352988 /nfs/dbraw/zinc/35/29/88/498352988.db2.gz MFPOBQHJCJNFPK-UHFFFAOYSA-N 2 2 352.504 3.230 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000361666836 498417685 /nfs/dbraw/zinc/41/76/85/498417685.db2.gz KVUBKGHTNIFCKK-WMZOPIPTSA-N 2 2 365.481 3.370 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000361666836 498417689 /nfs/dbraw/zinc/41/76/89/498417689.db2.gz KVUBKGHTNIFCKK-WMZOPIPTSA-N 2 2 365.481 3.370 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC34CCOCC4)CC2)cc1 ZINC000282488401 498531042 /nfs/dbraw/zinc/53/10/42/498531042.db2.gz HNGPNXGVGNMTAU-NRFANRHFSA-N 2 2 353.510 3.462 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000363567919 498881783 /nfs/dbraw/zinc/88/17/83/498881783.db2.gz LLVICWXEAIDGIZ-INIZCTEOSA-N 2 2 371.510 3.433 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000363567919 498881788 /nfs/dbraw/zinc/88/17/88/498881788.db2.gz LLVICWXEAIDGIZ-INIZCTEOSA-N 2 2 371.510 3.433 20 30 FGEDLP C=CCc1ccccc1OC[C@@H](O)C[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000579227297 506124336 /nfs/dbraw/zinc/12/43/36/506124336.db2.gz ADZBPSHKMIADAT-IBGZPJMESA-N 2 2 365.477 3.103 20 30 FGEDLP C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329282657 499090848 /nfs/dbraw/zinc/09/08/48/499090848.db2.gz FMGBIFDDOCXBTG-ULQDDVLXSA-N 2 2 359.518 3.156 20 30 FGEDLP C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329282657 499090849 /nfs/dbraw/zinc/09/08/49/499090849.db2.gz FMGBIFDDOCXBTG-ULQDDVLXSA-N 2 2 359.518 3.156 20 30 FGEDLP C[C@@H](COCC(F)(F)F)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000369844799 499137624 /nfs/dbraw/zinc/13/76/24/499137624.db2.gz FUHZJEOVTDRKCN-AWEZNQCLSA-N 2 2 355.404 3.080 20 30 FGEDLP C[C@@H](C#N)Oc1ccc(C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000367422706 499197250 /nfs/dbraw/zinc/19/72/50/499197250.db2.gz MHIWWVHFJMMYMW-KRWDZBQOSA-N 2 2 350.466 3.473 20 30 FGEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000367422706 499197251 /nfs/dbraw/zinc/19/72/51/499197251.db2.gz MHIWWVHFJMMYMW-KRWDZBQOSA-N 2 2 350.466 3.473 20 30 FGEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000369263125 499385184 /nfs/dbraw/zinc/38/51/84/499385184.db2.gz DDEXAJNJUCVDLG-GOSISDBHSA-N 2 2 351.454 3.154 20 30 FGEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000369263125 499385185 /nfs/dbraw/zinc/38/51/85/499385185.db2.gz DDEXAJNJUCVDLG-GOSISDBHSA-N 2 2 351.454 3.154 20 30 FGEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ccc(OCC#N)cc1 ZINC000373187208 499456254 /nfs/dbraw/zinc/45/62/54/499456254.db2.gz UCBUKEQBCGMFRR-DJPFJPOOSA-N 2 2 367.497 3.056 20 30 FGEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ccc(OCC#N)cc1 ZINC000373187208 499456255 /nfs/dbraw/zinc/45/62/55/499456255.db2.gz UCBUKEQBCGMFRR-DJPFJPOOSA-N 2 2 367.497 3.056 20 30 FGEDLP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C(C)(C)C[NH+](C)C)sc2C1 ZINC000411816334 499793863 /nfs/dbraw/zinc/79/38/63/499793863.db2.gz LGNPMPLCENHTMN-CYBMUJFWSA-N 2 2 362.543 3.003 20 30 FGEDLP C=CCC[C@@H](C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000427942329 500448120 /nfs/dbraw/zinc/44/81/20/500448120.db2.gz UJYUKPHCRWTINB-SIKLNZKXSA-N 2 2 369.553 3.363 20 30 FGEDLP C=CCC[C@@H](C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000427942329 500448123 /nfs/dbraw/zinc/44/81/23/500448123.db2.gz UJYUKPHCRWTINB-SIKLNZKXSA-N 2 2 369.553 3.363 20 30 FGEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)C[C@H]1C ZINC000444229929 500820624 /nfs/dbraw/zinc/82/06/24/500820624.db2.gz XVLXKYCXKLHKQP-CVEARBPZSA-N 2 2 360.527 3.045 20 30 FGEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)C[C@H]1C ZINC000444229929 500820625 /nfs/dbraw/zinc/82/06/25/500820625.db2.gz XVLXKYCXKLHKQP-CVEARBPZSA-N 2 2 360.527 3.045 20 30 FGEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)C[C@H]1C ZINC000444229929 500820628 /nfs/dbraw/zinc/82/06/28/500820628.db2.gz XVLXKYCXKLHKQP-CVEARBPZSA-N 2 2 360.527 3.045 20 30 FGEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C[C@H]1C ZINC000444229929 500820631 /nfs/dbraw/zinc/82/06/31/500820631.db2.gz XVLXKYCXKLHKQP-CVEARBPZSA-N 2 2 360.527 3.045 20 30 FGEDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H](C#N)C3)CC2)cc1 ZINC000449521795 501023877 /nfs/dbraw/zinc/02/38/77/501023877.db2.gz HPAJLBSEDZOQGG-NQIIRXRSSA-N 2 2 354.498 3.281 20 30 FGEDLP C=CCC1(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000458127422 501376941 /nfs/dbraw/zinc/37/69/41/501376941.db2.gz MTKOWYBGUACPSB-UHFFFAOYSA-N 2 2 362.562 3.123 20 30 FGEDLP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1OCCCC#N ZINC000527804924 503952519 /nfs/dbraw/zinc/95/25/19/503952519.db2.gz CWSITJJAFNURKO-IBGZPJMESA-N 2 2 357.498 3.484 20 30 FGEDLP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1OCCCC#N ZINC000527804924 503952522 /nfs/dbraw/zinc/95/25/22/503952522.db2.gz CWSITJJAFNURKO-IBGZPJMESA-N 2 2 357.498 3.484 20 30 FGEDLP COCC[C@H](Cc1ccco1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000541554281 504175558 /nfs/dbraw/zinc/17/55/58/504175558.db2.gz BASUGUIMIFFMTC-OAQYLSRUSA-N 2 2 367.493 3.353 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(Cl)cccc2N2CCOCC2)CC1 ZINC000559269040 504814206 /nfs/dbraw/zinc/81/42/06/504814206.db2.gz UIHZZIVKLJJXPA-UHFFFAOYSA-N 2 2 363.933 3.307 20 30 FGEDLP Cc1cc([C@H]2CCC[N@@H+]2CC#CC[NH+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000560157525 505006208 /nfs/dbraw/zinc/00/62/08/505006208.db2.gz XLKGESBXTLCUGL-HDICACEKSA-N 2 2 354.454 3.257 20 30 FGEDLP Cc1cc([C@H]2CCC[N@H+]2CC#CC[NH+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000560157525 505006211 /nfs/dbraw/zinc/00/62/11/505006211.db2.gz XLKGESBXTLCUGL-HDICACEKSA-N 2 2 354.454 3.257 20 30 FGEDLP Cc1cc([C@H]2CCC[NH+]2CC#CC[N@@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000560157525 505006213 /nfs/dbraw/zinc/00/62/13/505006213.db2.gz XLKGESBXTLCUGL-HDICACEKSA-N 2 2 354.454 3.257 20 30 FGEDLP Cc1cc([C@H]2CCC[NH+]2CC#CC[N@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000560157525 505006216 /nfs/dbraw/zinc/00/62/16/505006216.db2.gz XLKGESBXTLCUGL-HDICACEKSA-N 2 2 354.454 3.257 20 30 FGEDLP C[NH+](C)C1CC[NH+](CCNc2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000564397196 505406817 /nfs/dbraw/zinc/40/68/17/505406817.db2.gz ZOLLXUVIQZXCJP-UHFFFAOYSA-N 2 2 355.530 3.005 20 30 FGEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000567271642 505414832 /nfs/dbraw/zinc/41/48/32/505414832.db2.gz CJNGLELIEAQPAB-UWJYYQICSA-N 2 2 374.492 3.086 20 30 FGEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)CC[N@H+]1Cc1ccccc1 ZINC000567271642 505414838 /nfs/dbraw/zinc/41/48/38/505414838.db2.gz CJNGLELIEAQPAB-UWJYYQICSA-N 2 2 374.492 3.086 20 30 FGEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc3c(C#N)cnn3c2)CC[NH+]1Cc1ccccc1 ZINC000567271642 505414843 /nfs/dbraw/zinc/41/48/43/505414843.db2.gz CJNGLELIEAQPAB-UWJYYQICSA-N 2 2 374.492 3.086 20 30 FGEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)CC[NH+]1Cc1ccccc1 ZINC000567271642 505414846 /nfs/dbraw/zinc/41/48/46/505414846.db2.gz CJNGLELIEAQPAB-UWJYYQICSA-N 2 2 374.492 3.086 20 30 FGEDLP N#Cc1ccc(N2CCC([NH2+][C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)CC2)cc1 ZINC000596650382 506510224 /nfs/dbraw/zinc/51/02/24/506510224.db2.gz PRSKCMOBTCDRTI-DHIUTWEWSA-N 2 2 360.505 3.262 20 30 FGEDLP COc1cccc(C[C@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593701914 506740027 /nfs/dbraw/zinc/74/00/27/506740027.db2.gz HLBROUZKRAEWKF-KRWDZBQOSA-N 2 2 364.493 3.147 20 30 FGEDLP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000593721416 506746497 /nfs/dbraw/zinc/74/64/97/506746497.db2.gz LRDZIMDTXPDSLF-HBMCJLEFSA-N 2 2 353.510 3.316 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC(N[C@@H](c3[nH]cc[nH+]3)c3cccnc3)CC2)c1 ZINC000593721923 506747919 /nfs/dbraw/zinc/74/79/19/506747919.db2.gz NVBLDRJXLYZCEQ-OAQYLSRUSA-N 2 2 372.476 3.020 20 30 FGEDLP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000600731633 507089140 /nfs/dbraw/zinc/08/91/40/507089140.db2.gz NNZXIVZSBZTBNL-RVKKMQEKSA-N 2 2 365.880 3.116 20 30 FGEDLP C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000600731633 507089144 /nfs/dbraw/zinc/08/91/44/507089144.db2.gz NNZXIVZSBZTBNL-RVKKMQEKSA-N 2 2 365.880 3.116 20 30 FGEDLP COc1cccc(OC)c1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594968585 507336709 /nfs/dbraw/zinc/33/67/09/507336709.db2.gz STSLOQRNHVGARX-UHFFFAOYSA-N 2 2 365.477 3.330 20 30 FGEDLP CC(C)CNC(=[NH2+])NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000303882492 713789418 /nfs/dbraw/zinc/78/94/18/713789418.db2.gz ICQLEZREWMUWRX-SFHVURJKSA-N 2 2 356.539 3.408 20 30 FGEDLP CC(C)CNC(=[NH2+])NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000303882492 713789419 /nfs/dbraw/zinc/78/94/19/713789419.db2.gz ICQLEZREWMUWRX-SFHVURJKSA-N 2 2 356.539 3.408 20 30 FGEDLP C=CC[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CCC[NH2+]1 ZINC000662670909 720451581 /nfs/dbraw/zinc/45/15/81/720451581.db2.gz JRXRDIGTOHAAFG-FQEVSTJZSA-N 2 2 361.917 3.073 20 30 FGEDLP C=CC[C@@]1(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CCC[NH2+]1 ZINC000662670909 720451584 /nfs/dbraw/zinc/45/15/84/720451584.db2.gz JRXRDIGTOHAAFG-FQEVSTJZSA-N 2 2 361.917 3.073 20 30 FGEDLP C#CC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000766244361 723564373 /nfs/dbraw/zinc/56/43/73/723564373.db2.gz USKSNWBENWXOJK-QGZVFWFLSA-N 2 2 374.282 3.413 20 30 FGEDLP C#CC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000766244361 723564374 /nfs/dbraw/zinc/56/43/74/723564374.db2.gz USKSNWBENWXOJK-QGZVFWFLSA-N 2 2 374.282 3.413 20 30 FGEDLP C=CC[NH+](CC=C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000058337452 493844894 /nfs/dbraw/zinc/84/48/94/493844894.db2.gz HWGLRDWQPVQIAE-LJQANCHMSA-N 2 2 361.917 3.267 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718254 494239321 /nfs/dbraw/zinc/23/93/21/494239321.db2.gz IDJHUDMIKLBAAS-LNSLMDJYSA-N 2 2 374.573 3.114 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718254 494239324 /nfs/dbraw/zinc/23/93/24/494239324.db2.gz IDJHUDMIKLBAAS-LNSLMDJYSA-N 2 2 374.573 3.114 20 30 FGEDLP N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)n2c1 ZINC000093016643 494809336 /nfs/dbraw/zinc/80/93/36/494809336.db2.gz LOTQEQMKKYKJCC-IBGZPJMESA-N 2 2 351.498 3.294 20 30 FGEDLP N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)n2c1 ZINC000093016643 494809342 /nfs/dbraw/zinc/80/93/42/494809342.db2.gz LOTQEQMKKYKJCC-IBGZPJMESA-N 2 2 351.498 3.294 20 30 FGEDLP C[N@@H+](Cc1cnc2ccc(C#N)cn12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336831 494873105 /nfs/dbraw/zinc/87/31/05/494873105.db2.gz ZGUIZUGSGFHEOD-HXUWFJFHSA-N 2 2 359.477 3.160 20 30 FGEDLP C[N@H+](Cc1cnc2ccc(C#N)cn12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336831 494873110 /nfs/dbraw/zinc/87/31/10/494873110.db2.gz ZGUIZUGSGFHEOD-HXUWFJFHSA-N 2 2 359.477 3.160 20 30 FGEDLP C[NH+](Cc1cnc2ccc(C#N)cn12)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336831 494873113 /nfs/dbraw/zinc/87/31/13/494873113.db2.gz ZGUIZUGSGFHEOD-HXUWFJFHSA-N 2 2 359.477 3.160 20 30 FGEDLP C[NH+](Cc1cnc2ccc(C#N)cn12)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336831 494873117 /nfs/dbraw/zinc/87/31/17/494873117.db2.gz ZGUIZUGSGFHEOD-HXUWFJFHSA-N 2 2 359.477 3.160 20 30 FGEDLP CC[NH+](CC)CCN(CCC(F)(F)F)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000093812067 494923593 /nfs/dbraw/zinc/92/35/93/494923593.db2.gz ZUHKJPSKJZKAPF-UHFFFAOYSA-N 2 2 367.419 3.302 20 30 FGEDLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000181612874 496470572 /nfs/dbraw/zinc/47/05/72/496470572.db2.gz GBQKOEFHIOBNBJ-GOSISDBHSA-N 2 2 365.477 3.120 20 30 FGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](O)c1ccc(F)cc1 ZINC000181762112 496532859 /nfs/dbraw/zinc/53/28/59/496532859.db2.gz OYRZGXGTQZYSDE-KSFYIVLOSA-N 2 2 367.468 3.373 20 30 FGEDLP CSC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000181994121 496626839 /nfs/dbraw/zinc/62/68/39/496626839.db2.gz RNYWHTNXDRDKMI-UHFFFAOYSA-N 2 2 359.539 3.024 20 30 FGEDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000247603999 496895431 /nfs/dbraw/zinc/89/54/31/496895431.db2.gz LKDQECOEBQXZGD-ZBFHGGJFSA-N 2 2 369.469 3.191 20 30 FGEDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000247603999 496895439 /nfs/dbraw/zinc/89/54/39/496895439.db2.gz LKDQECOEBQXZGD-ZBFHGGJFSA-N 2 2 369.469 3.191 20 30 FGEDLP COc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000188784866 496908315 /nfs/dbraw/zinc/90/83/15/496908315.db2.gz QHLYHEHHUHPNSY-MRXNPFEDSA-N 2 2 350.466 3.277 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000248009125 496942676 /nfs/dbraw/zinc/94/26/76/496942676.db2.gz LCJIDRROAJSZCW-ZVDOUQERSA-N 2 2 368.525 3.046 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000248009125 496942682 /nfs/dbraw/zinc/94/26/82/496942682.db2.gz LCJIDRROAJSZCW-ZVDOUQERSA-N 2 2 368.525 3.046 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000248009125 496942686 /nfs/dbraw/zinc/94/26/86/496942686.db2.gz LCJIDRROAJSZCW-ZVDOUQERSA-N 2 2 368.525 3.046 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000248009125 496942691 /nfs/dbraw/zinc/94/26/91/496942691.db2.gz LCJIDRROAJSZCW-ZVDOUQERSA-N 2 2 368.525 3.046 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266899963 497441572 /nfs/dbraw/zinc/44/15/72/497441572.db2.gz GDDOCKIBTLGJAV-GXTWGEPZSA-N 2 2 357.845 3.141 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266899963 497441577 /nfs/dbraw/zinc/44/15/77/497441577.db2.gz GDDOCKIBTLGJAV-GXTWGEPZSA-N 2 2 357.845 3.141 20 30 FGEDLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000329840043 497921129 /nfs/dbraw/zinc/92/11/29/497921129.db2.gz WFIPJVRHXFOZPY-HOTGVXAUSA-N 2 2 367.497 3.456 20 30 FGEDLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000329840043 497921134 /nfs/dbraw/zinc/92/11/34/497921134.db2.gz WFIPJVRHXFOZPY-HOTGVXAUSA-N 2 2 367.497 3.456 20 30 FGEDLP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000330280098 498091392 /nfs/dbraw/zinc/09/13/92/498091392.db2.gz RZLKUIJLTSBXNW-PKOBYXMFSA-N 2 2 370.522 3.020 20 30 FGEDLP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000330280098 498091393 /nfs/dbraw/zinc/09/13/93/498091393.db2.gz RZLKUIJLTSBXNW-PKOBYXMFSA-N 2 2 370.522 3.020 20 30 FGEDLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329253195 499084908 /nfs/dbraw/zinc/08/49/08/499084908.db2.gz ZAYOKZOMXKOQFI-RHSMWYFYSA-N 2 2 360.458 3.126 20 30 FGEDLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329253195 499084912 /nfs/dbraw/zinc/08/49/12/499084912.db2.gz ZAYOKZOMXKOQFI-RHSMWYFYSA-N 2 2 360.458 3.126 20 30 FGEDLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)ccc1C#N ZINC000366928215 499117635 /nfs/dbraw/zinc/11/76/35/499117635.db2.gz RXQZWLSIVYVASU-IFXJQAMLSA-N 2 2 370.522 3.332 20 30 FGEDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2C)ccc1C#N ZINC000366928215 499117639 /nfs/dbraw/zinc/11/76/39/499117639.db2.gz RXQZWLSIVYVASU-IFXJQAMLSA-N 2 2 370.522 3.332 20 30 FGEDLP CCC[NH+]1CCN(C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)CC1 ZINC000372483378 499133151 /nfs/dbraw/zinc/13/31/51/499133151.db2.gz UHKZWXNVFDETRD-UHFFFAOYSA-N 2 2 360.933 3.204 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CC#Cc3ccc(F)cc3)[C@H](C)C2)s1 ZINC000375505184 499526659 /nfs/dbraw/zinc/52/66/59/499526659.db2.gz ANSAARNSHRGXQN-QRWLVFNGSA-N 2 2 357.498 3.442 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CC#Cc3ccc(F)cc3)[C@H](C)C2)s1 ZINC000375505184 499526661 /nfs/dbraw/zinc/52/66/61/499526661.db2.gz ANSAARNSHRGXQN-QRWLVFNGSA-N 2 2 357.498 3.442 20 30 FGEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000375789945 499555961 /nfs/dbraw/zinc/55/59/61/499555961.db2.gz ILLJATCILJQBBR-HNNXBMFYSA-N 2 2 357.483 3.215 20 30 FGEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000375789945 499555962 /nfs/dbraw/zinc/55/59/62/499555962.db2.gz ILLJATCILJQBBR-HNNXBMFYSA-N 2 2 357.483 3.215 20 30 FGEDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000377080954 499660167 /nfs/dbraw/zinc/66/01/67/499660167.db2.gz GVUIVGIRPQASAR-JBACZVJFSA-N 2 2 351.498 3.416 20 30 FGEDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000377080954 499660168 /nfs/dbraw/zinc/66/01/68/499660168.db2.gz GVUIVGIRPQASAR-JBACZVJFSA-N 2 2 351.498 3.416 20 30 FGEDLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411402360 499735251 /nfs/dbraw/zinc/73/52/51/499735251.db2.gz PTMZHUSCVIAHBU-UHFFFAOYSA-N 2 2 364.493 3.387 20 30 FGEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000411402360 499735254 /nfs/dbraw/zinc/73/52/54/499735254.db2.gz PTMZHUSCVIAHBU-UHFFFAOYSA-N 2 2 364.493 3.387 20 30 FGEDLP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444777762 500898617 /nfs/dbraw/zinc/89/86/17/500898617.db2.gz QNVJKUHDHAKRME-UHFFFAOYSA-N 2 2 357.889 3.319 20 30 FGEDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)cc1 ZINC000449523921 501024624 /nfs/dbraw/zinc/02/46/24/501024624.db2.gz MQJACRJJLOXYFT-UHFFFAOYSA-N 2 2 362.477 3.271 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3Cc4ccccc4CO3)CC2)cc1 ZINC000598989616 506265398 /nfs/dbraw/zinc/26/53/98/506265398.db2.gz OAXNLUXNUAUGQN-QHCPKHFHSA-N 2 2 361.489 3.254 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483488471 502408497 /nfs/dbraw/zinc/40/84/97/502408497.db2.gz YHZKOBVDQTVLCN-YADHBBJMSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483488471 502408500 /nfs/dbraw/zinc/40/85/00/502408500.db2.gz YHZKOBVDQTVLCN-YADHBBJMSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483488471 502408503 /nfs/dbraw/zinc/40/85/03/502408503.db2.gz YHZKOBVDQTVLCN-YADHBBJMSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483488471 502408506 /nfs/dbraw/zinc/40/85/06/502408506.db2.gz YHZKOBVDQTVLCN-YADHBBJMSA-N 2 2 369.553 3.398 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481176822 502775317 /nfs/dbraw/zinc/77/53/17/502775317.db2.gz SPFWXHAYLLQFRB-IRFCIJBXSA-N 2 2 355.526 3.076 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481176822 502775321 /nfs/dbraw/zinc/77/53/21/502775321.db2.gz SPFWXHAYLLQFRB-IRFCIJBXSA-N 2 2 355.526 3.076 20 30 FGEDLP C=CCn1cccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000488790378 502810383 /nfs/dbraw/zinc/81/03/83/502810383.db2.gz WNVXPGZASXVBIY-VQTJNVASSA-N 2 2 372.557 3.083 20 30 FGEDLP C=CCn1cccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000488790378 502810386 /nfs/dbraw/zinc/81/03/86/502810386.db2.gz WNVXPGZASXVBIY-VQTJNVASSA-N 2 2 372.557 3.083 20 30 FGEDLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C#N)cc1F ZINC000512293543 503512541 /nfs/dbraw/zinc/51/25/41/503512541.db2.gz FNPVXRNXCHBLHL-WMLDXEAASA-N 2 2 353.445 3.406 20 30 FGEDLP C=CC[NH+]1CCC(NC(=O)CCn2c3ccccc3[nH+]c2C2CC2)CC1 ZINC000536689914 503681239 /nfs/dbraw/zinc/68/12/39/503681239.db2.gz HUJHIBYXKDDBOS-UHFFFAOYSA-N 2 2 352.482 3.070 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000534471081 504150578 /nfs/dbraw/zinc/15/05/78/504150578.db2.gz SYLOETABLKRVAA-LJQANCHMSA-N 2 2 373.460 3.320 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000534471081 504150586 /nfs/dbraw/zinc/15/05/86/504150586.db2.gz SYLOETABLKRVAA-LJQANCHMSA-N 2 2 373.460 3.320 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC[C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000538407677 504237456 /nfs/dbraw/zinc/23/74/56/504237456.db2.gz JRIGDQTWWAAYHS-IRLDBZIGSA-N 2 2 355.526 3.444 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000531719620 504403132 /nfs/dbraw/zinc/40/31/32/504403132.db2.gz TVHOGDKTKRDEFR-AWEZNQCLSA-N 2 2 365.905 3.306 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000593323031 506540056 /nfs/dbraw/zinc/54/00/56/506540056.db2.gz ONDGLCRJQPBIQS-DNVJHFABSA-N 3 2 366.553 3.423 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCc4cccnc4CC3)CC2)c1 ZINC000593724711 506748508 /nfs/dbraw/zinc/74/85/08/506748508.db2.gz HFZZLDSJTDHERG-NRFANRHFSA-N 2 2 360.505 3.455 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](C3CC3)[C@H]3CCCCO3)CC2)cc1 ZINC000594507472 507161185 /nfs/dbraw/zinc/16/11/85/507161185.db2.gz CYDXZXMRSJYXHL-YADHBBJMSA-N 2 2 353.510 3.460 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCN3Cc3ccccc3)CC2)cc1 ZINC000594997680 507347205 /nfs/dbraw/zinc/34/72/05/507347205.db2.gz AZOOZFNNWNZBAC-DEOSSOPVSA-N 2 2 374.532 3.387 20 30 FGEDLP C=CCc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc(OC)c1O ZINC000629657584 716332163 /nfs/dbraw/zinc/33/21/63/716332163.db2.gz ZZIXUKJIPHYFQA-HUUCEWRRSA-N 2 2 358.404 3.088 20 30 FGEDLP C=CCc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc(OC)c1O ZINC000629657584 716332167 /nfs/dbraw/zinc/33/21/67/716332167.db2.gz ZZIXUKJIPHYFQA-HUUCEWRRSA-N 2 2 358.404 3.088 20 30 FGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000821215341 729069177 /nfs/dbraw/zinc/06/91/77/729069177.db2.gz UZJHJQARLICVJZ-UHFFFAOYSA-N 2 2 362.880 3.077 20 30 FGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)nn(Cc2ccc(F)cc2)c1Cl ZINC000821215341 729069179 /nfs/dbraw/zinc/06/91/79/729069179.db2.gz UZJHJQARLICVJZ-UHFFFAOYSA-N 2 2 362.880 3.077 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(N4CCC4=O)c3)CC2)cc1 ZINC000579903679 505641825 /nfs/dbraw/zinc/64/18/25/505641825.db2.gz CBYPSPZIGZLAHM-UHFFFAOYSA-N 2 2 374.488 3.049 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC(Nc3ccc(Cn4cc[nH+]c4)cn3)CC2)cc1 ZINC000577025867 505646936 /nfs/dbraw/zinc/64/69/36/505646936.db2.gz DWUDCXCDYOSKOZ-UHFFFAOYSA-N 2 2 372.476 3.275 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC(Nc3ccc(Cn4cc[nH+]c4)c[nH+]3)CC2)cc1 ZINC000577025867 505646941 /nfs/dbraw/zinc/64/69/41/505646941.db2.gz DWUDCXCDYOSKOZ-UHFFFAOYSA-N 3 2 372.476 3.275 20 30 FGEDLP N#CCCCOc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000580095818 505676184 /nfs/dbraw/zinc/67/61/84/505676184.db2.gz ILRLUWZNWBUGAD-FQEVSTJZSA-N 2 2 357.498 3.056 20 30 FGEDLP N#CCCCOc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000580095818 505676187 /nfs/dbraw/zinc/67/61/87/505676187.db2.gz ILRLUWZNWBUGAD-FQEVSTJZSA-N 2 2 357.498 3.056 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080973809 493805903 /nfs/dbraw/zinc/80/59/03/493805903.db2.gz USJIRAONPUBLLM-CVEARBPZSA-N 2 2 369.444 3.064 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080973809 493805905 /nfs/dbraw/zinc/80/59/05/493805905.db2.gz USJIRAONPUBLLM-CVEARBPZSA-N 2 2 369.444 3.064 20 30 FGEDLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000174650717 496047546 /nfs/dbraw/zinc/04/75/46/496047546.db2.gz ASUDDLUZEZIZLI-UHFFFAOYSA-N 2 2 354.885 3.253 20 30 FGEDLP C=CC[C@H](CO)[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000184273140 496313926 /nfs/dbraw/zinc/31/39/26/496313926.db2.gz ZTXCNTMIJRCVPM-GOSISDBHSA-N 2 2 351.450 3.248 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3C(=O)OC)o2)CC1 ZINC000187293607 496380026 /nfs/dbraw/zinc/38/00/26/496380026.db2.gz WMNQKTYDOHVTMC-UHFFFAOYSA-N 2 2 354.450 3.473 20 30 FGEDLP Cc1nc(C)c(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000181727100 496520502 /nfs/dbraw/zinc/52/05/02/496520502.db2.gz AVRKCMIHHPCSGN-UHFFFAOYSA-N 2 2 354.523 3.428 20 30 FGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)Nc1ccccc1 ZINC000181950596 496610795 /nfs/dbraw/zinc/61/07/95/496610795.db2.gz MKQJFDNCWJJZHL-KRWDZBQOSA-N 2 2 362.477 3.139 20 30 FGEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000247007337 496749496 /nfs/dbraw/zinc/74/94/96/496749496.db2.gz IVTYNHVWSDWYNQ-KAGYGMCKSA-N 2 2 370.541 3.026 20 30 FGEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000247007337 496749497 /nfs/dbraw/zinc/74/94/97/496749497.db2.gz IVTYNHVWSDWYNQ-KAGYGMCKSA-N 2 2 370.541 3.026 20 30 FGEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247007337 496749498 /nfs/dbraw/zinc/74/94/98/496749498.db2.gz IVTYNHVWSDWYNQ-KAGYGMCKSA-N 2 2 370.541 3.026 20 30 FGEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247007337 496749499 /nfs/dbraw/zinc/74/94/99/496749499.db2.gz IVTYNHVWSDWYNQ-KAGYGMCKSA-N 2 2 370.541 3.026 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265544864 497136911 /nfs/dbraw/zinc/13/69/11/497136911.db2.gz XLKJEWXMCNODSG-LBPRGKRZSA-N 2 2 357.845 3.141 20 30 FGEDLP CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000266904483 497443046 /nfs/dbraw/zinc/44/30/46/497443046.db2.gz JIGXKVIMXWVESZ-HXUWFJFHSA-N 2 2 369.557 3.246 20 30 FGEDLP CC(C)(C#N)CCC[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000266904483 497443048 /nfs/dbraw/zinc/44/30/48/497443048.db2.gz JIGXKVIMXWVESZ-HXUWFJFHSA-N 2 2 369.557 3.246 20 30 FGEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261965320 497483273 /nfs/dbraw/zinc/48/32/73/497483273.db2.gz LIOWGRZQXMBTTL-KRWDZBQOSA-N 2 2 367.497 3.187 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277227299 497782136 /nfs/dbraw/zinc/78/21/36/497782136.db2.gz OKFPDQWREPKBFO-RBUKOAKNSA-N 2 2 356.514 3.046 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277227299 497782138 /nfs/dbraw/zinc/78/21/38/497782138.db2.gz OKFPDQWREPKBFO-RBUKOAKNSA-N 2 2 356.514 3.046 20 30 FGEDLP N#Cc1ccc2ncc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)n2c1 ZINC000581197052 505931733 /nfs/dbraw/zinc/93/17/33/505931733.db2.gz PMACZHFNCOHVSQ-RTWAWAEBSA-N 2 2 371.488 3.160 20 30 FGEDLP N#Cc1ccc2ncc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)n2c1 ZINC000581197052 505931738 /nfs/dbraw/zinc/93/17/38/505931738.db2.gz PMACZHFNCOHVSQ-RTWAWAEBSA-N 2 2 371.488 3.160 20 30 FGEDLP N#Cc1ccc2ncc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)n2c1 ZINC000581197052 505931741 /nfs/dbraw/zinc/93/17/41/505931741.db2.gz PMACZHFNCOHVSQ-RTWAWAEBSA-N 2 2 371.488 3.160 20 30 FGEDLP N#Cc1ccc2ncc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)n2c1 ZINC000581197052 505931746 /nfs/dbraw/zinc/93/17/46/505931746.db2.gz PMACZHFNCOHVSQ-RTWAWAEBSA-N 2 2 371.488 3.160 20 30 FGEDLP Cc1noc(C(C)C)c1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000329615586 497846216 /nfs/dbraw/zinc/84/62/16/497846216.db2.gz PPRQVJOHTRMLIN-UHFFFAOYSA-N 2 2 362.518 3.361 20 30 FGEDLP C[C@@H]1C[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000329772382 497896606 /nfs/dbraw/zinc/89/66/06/497896606.db2.gz KOLPVEMQAHHJTG-APWZRJJASA-N 2 2 367.497 3.166 20 30 FGEDLP C[C@@H]1C[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000329772382 497896612 /nfs/dbraw/zinc/89/66/12/497896612.db2.gz KOLPVEMQAHHJTG-APWZRJJASA-N 2 2 367.497 3.166 20 30 FGEDLP C[C@@H]1C[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000329772382 497896618 /nfs/dbraw/zinc/89/66/18/497896618.db2.gz KOLPVEMQAHHJTG-APWZRJJASA-N 2 2 367.497 3.166 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c([N+](=O)[O-])c1 ZINC000569931573 506050509 /nfs/dbraw/zinc/05/05/09/506050509.db2.gz DFQGCSNUPMTMRH-UHFFFAOYSA-N 2 2 365.437 3.379 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC34CCOCC4)CC2)cc1 ZINC000282488408 498531384 /nfs/dbraw/zinc/53/13/84/498531384.db2.gz HNGPNXGVGNMTAU-OAQYLSRUSA-N 2 2 353.510 3.462 20 30 FGEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000332826720 498805471 /nfs/dbraw/zinc/80/54/71/498805471.db2.gz AJZBSDQHTHFOQV-WOJBJXKFSA-N 2 2 374.573 3.161 20 30 FGEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000332826720 498805477 /nfs/dbraw/zinc/80/54/77/498805477.db2.gz AJZBSDQHTHFOQV-WOJBJXKFSA-N 2 2 374.573 3.161 20 30 FGEDLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000411400481 499735065 /nfs/dbraw/zinc/73/50/65/499735065.db2.gz JWSBZCUAAPYMPC-UHFFFAOYSA-N 2 2 364.493 3.387 20 30 FGEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000411400481 499735067 /nfs/dbraw/zinc/73/50/67/499735067.db2.gz JWSBZCUAAPYMPC-UHFFFAOYSA-N 2 2 364.493 3.387 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1OCC ZINC000415015008 499855207 /nfs/dbraw/zinc/85/52/07/499855207.db2.gz XNQXDVKBZIOQKM-NWDGAFQWSA-N 2 2 357.292 3.238 20 30 FGEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)CC1 ZINC000433518437 500707692 /nfs/dbraw/zinc/70/76/92/500707692.db2.gz HCDIWNVMBLLJRX-UHFFFAOYSA-N 2 2 363.509 3.101 20 30 FGEDLP N#Cc1ccc(CNc2[nH+]c3ccccc3n2CCCn2cc[nH+]c2)c(F)c1 ZINC000463498147 501743163 /nfs/dbraw/zinc/74/31/63/501743163.db2.gz WEVNTWZYLYHVJS-UHFFFAOYSA-N 2 2 374.423 3.368 20 30 FGEDLP C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000463657024 501786877 /nfs/dbraw/zinc/78/68/77/501786877.db2.gz HAIYGFKDYMDFRN-AWEZNQCLSA-N 2 2 366.431 3.182 20 30 FGEDLP C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000463657024 501786884 /nfs/dbraw/zinc/78/68/84/501786884.db2.gz HAIYGFKDYMDFRN-AWEZNQCLSA-N 2 2 366.431 3.182 20 30 FGEDLP CN(C(=O)CCCCCC#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000588655875 506294368 /nfs/dbraw/zinc/29/43/68/506294368.db2.gz LGMQVFCFHCIZQM-UXHICEINSA-N 2 2 362.562 3.256 20 30 FGEDLP CN(C(=O)CCCCCC#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000588655875 506294373 /nfs/dbraw/zinc/29/43/73/506294373.db2.gz LGMQVFCFHCIZQM-UXHICEINSA-N 2 2 362.562 3.256 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483488468 502407329 /nfs/dbraw/zinc/40/73/29/502407329.db2.gz YHZKOBVDQTVLCN-VXKWHMMOSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483488468 502407335 /nfs/dbraw/zinc/40/73/35/502407335.db2.gz YHZKOBVDQTVLCN-VXKWHMMOSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483488468 502407341 /nfs/dbraw/zinc/40/73/41/502407341.db2.gz YHZKOBVDQTVLCN-VXKWHMMOSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483488468 502407344 /nfs/dbraw/zinc/40/73/44/502407344.db2.gz YHZKOBVDQTVLCN-VXKWHMMOSA-N 2 2 369.553 3.398 20 30 FGEDLP N#CCCn1cc(C(=O)C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c2ccccc21 ZINC000469740390 502526413 /nfs/dbraw/zinc/52/64/13/502526413.db2.gz XMVVJTPFGWFCGC-SFHVURJKSA-N 2 2 374.444 3.286 20 30 FGEDLP N#CCCn1cc(C(=O)C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c2ccccc21 ZINC000469740390 502526419 /nfs/dbraw/zinc/52/64/19/502526419.db2.gz XMVVJTPFGWFCGC-SFHVURJKSA-N 2 2 374.444 3.286 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000514008931 503066929 /nfs/dbraw/zinc/06/69/29/503066929.db2.gz UXRAQDRDDSVSRB-UHFFFAOYSA-N 2 2 370.541 3.355 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000514008931 503066933 /nfs/dbraw/zinc/06/69/33/503066933.db2.gz UXRAQDRDDSVSRB-UHFFFAOYSA-N 2 2 370.541 3.355 20 30 FGEDLP Cc1ccsc1[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000537307769 503875802 /nfs/dbraw/zinc/87/58/02/503875802.db2.gz QXSUONQODXIWRK-LJQANCHMSA-N 2 2 355.507 3.216 20 30 FGEDLP COCC[C@@H](Cc1ccco1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000541554279 504175278 /nfs/dbraw/zinc/17/52/78/504175278.db2.gz BASUGUIMIFFMTC-NRFANRHFSA-N 2 2 367.493 3.353 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC[C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000538407678 504237958 /nfs/dbraw/zinc/23/79/58/504237958.db2.gz JRIGDQTWWAAYHS-RBBKRZOGSA-N 2 2 355.526 3.444 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000593323766 506541638 /nfs/dbraw/zinc/54/16/38/506541638.db2.gz WRMKNVFREYYWFT-BHDDXSALSA-N 3 2 352.526 3.033 20 30 FGEDLP COc1cc(F)cc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593691808 506734084 /nfs/dbraw/zinc/73/40/84/506734084.db2.gz NBOOHJNCCQXEON-UHFFFAOYSA-N 2 2 353.441 3.460 20 30 FGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000584261614 507241965 /nfs/dbraw/zinc/24/19/65/507241965.db2.gz NCFAATZJAUTIOD-GMAHTHKFSA-N 2 2 361.489 3.426 20 30 FGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000584261614 507241969 /nfs/dbraw/zinc/24/19/69/507241969.db2.gz NCFAATZJAUTIOD-GMAHTHKFSA-N 2 2 361.489 3.426 20 30 FGEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000594969627 507337091 /nfs/dbraw/zinc/33/70/91/507337091.db2.gz YKGBZPNDPXIDSW-IBGZPJMESA-N 2 2 351.498 3.426 20 30 FGEDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000594969627 507337094 /nfs/dbraw/zinc/33/70/94/507337094.db2.gz YKGBZPNDPXIDSW-IBGZPJMESA-N 2 2 351.498 3.426 20 30 FGEDLP CC[NH+]1CCC([N@@H+]2CCCN([C@H](C#N)c3ccc(Cl)cc3)CC2)CC1 ZINC000595545218 507554222 /nfs/dbraw/zinc/55/42/22/507554222.db2.gz FHHRYHKOJBECAW-HXUWFJFHSA-N 2 2 360.933 3.397 20 30 FGEDLP CC[NH+]1CCC([N@H+]2CCCN([C@H](C#N)c3ccc(Cl)cc3)CC2)CC1 ZINC000595545218 507554227 /nfs/dbraw/zinc/55/42/27/507554227.db2.gz FHHRYHKOJBECAW-HXUWFJFHSA-N 2 2 360.933 3.397 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC000602020381 507557105 /nfs/dbraw/zinc/55/71/05/507557105.db2.gz KUBOZYMDQXOSKS-JOCHJYFZSA-N 3 2 362.521 3.072 20 30 FGEDLP N#CC[C@H]1CCC[N@H+](Cc2cncc(C[NH+]3CCC[C@@H](CC#N)C3)c2)C1 ZINC000595623312 507598037 /nfs/dbraw/zinc/59/80/37/507598037.db2.gz MHVAMBVGKJXEGH-KDURUIRLSA-N 2 2 351.498 3.333 20 30 FGEDLP N#CC[C@H]1CCC[N@@H+](Cc2cncc(C[NH+]3CCC[C@@H](CC#N)C3)c2)C1 ZINC000595623312 507598045 /nfs/dbraw/zinc/59/80/45/507598045.db2.gz MHVAMBVGKJXEGH-KDURUIRLSA-N 2 2 351.498 3.333 20 30 FGEDLP N#CC[C@H]1CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@@H](CC#N)C3)c2)C1 ZINC000595623312 507598052 /nfs/dbraw/zinc/59/80/52/507598052.db2.gz MHVAMBVGKJXEGH-KDURUIRLSA-N 2 2 351.498 3.333 20 30 FGEDLP N#CC[C@H]1CCC[NH+](Cc2cncc(C[N@H+]3CCC[C@@H](CC#N)C3)c2)C1 ZINC000595623312 507598060 /nfs/dbraw/zinc/59/80/60/507598060.db2.gz MHVAMBVGKJXEGH-KDURUIRLSA-N 2 2 351.498 3.333 20 30 FGEDLP Cc1cccc2nc(CC[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)cn21 ZINC000592380550 507628193 /nfs/dbraw/zinc/62/81/93/507628193.db2.gz WEOCRQNIVUFJTN-UHFFFAOYSA-N 2 2 373.504 3.311 20 30 FGEDLP C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090720236 700407090 /nfs/dbraw/zinc/40/70/90/700407090.db2.gz KULZJTQXRNTQKI-CZUORRHYSA-N 2 2 351.288 3.033 20 30 FGEDLP C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090720236 700407092 /nfs/dbraw/zinc/40/70/92/700407092.db2.gz KULZJTQXRNTQKI-CZUORRHYSA-N 2 2 351.288 3.033 20 30 FGEDLP C=CC[NH+]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)CC1 ZINC001165032202 721870556 /nfs/dbraw/zinc/87/05/56/721870556.db2.gz LQANGRIPGCSBSQ-UHFFFAOYSA-N 2 2 371.554 3.212 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000080972891 493805840 /nfs/dbraw/zinc/80/58/40/493805840.db2.gz ZSESUMNRKQIRCV-SFHVURJKSA-N 2 2 365.481 3.153 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000080972891 493805845 /nfs/dbraw/zinc/80/58/45/493805845.db2.gz ZSESUMNRKQIRCV-SFHVURJKSA-N 2 2 365.481 3.153 20 30 FGEDLP N#Cc1csc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000580259742 505714960 /nfs/dbraw/zinc/71/49/60/505714960.db2.gz VDSXOMVUIXRESB-FQEVSTJZSA-N 2 2 366.534 3.012 20 30 FGEDLP N#Cc1csc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000580259742 505714962 /nfs/dbraw/zinc/71/49/62/505714962.db2.gz VDSXOMVUIXRESB-FQEVSTJZSA-N 2 2 366.534 3.012 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000119951769 495276083 /nfs/dbraw/zinc/27/60/83/495276083.db2.gz QJXWFTGAEPYIAQ-NJYVYQBISA-N 2 2 351.494 3.070 20 30 FGEDLP N#CC1(c2ccccc2)CCC(Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC000574440829 505774552 /nfs/dbraw/zinc/77/45/52/505774552.db2.gz FZZSAFPJWIHIEY-UHFFFAOYSA-N 2 2 361.493 3.307 20 30 FGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2nc(C(F)(F)F)cs2)cc1 ZINC000269868029 497014738 /nfs/dbraw/zinc/01/47/38/497014738.db2.gz UBYZYBQEELRIJE-UHFFFAOYSA-N 2 2 358.389 3.061 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CCC4(CC3)OCCO4)CC2)cc1 ZINC000193373622 497364175 /nfs/dbraw/zinc/36/41/75/497364175.db2.gz DCWGUSBLYOHJLI-UHFFFAOYSA-N 2 2 369.509 3.046 20 30 FGEDLP Cc1ccn2cc(C[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)nc2c1 ZINC000271814011 497458731 /nfs/dbraw/zinc/45/87/31/497458731.db2.gz BGRAAIGXUXVVJP-UHFFFAOYSA-N 2 2 359.477 3.269 20 30 FGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000575062978 505913017 /nfs/dbraw/zinc/91/30/17/505913017.db2.gz FYJFJFOENDJQER-QGZVFWFLSA-N 2 2 365.437 3.379 20 30 FGEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000575062978 505913020 /nfs/dbraw/zinc/91/30/20/505913020.db2.gz FYJFJFOENDJQER-QGZVFWFLSA-N 2 2 365.437 3.379 20 30 FGEDLP N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281961102 498334775 /nfs/dbraw/zinc/33/47/75/498334775.db2.gz GEDPFIYVVRPVGH-ICSRJNTNSA-N 2 2 350.466 3.004 20 30 FGEDLP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281961102 498334784 /nfs/dbraw/zinc/33/47/84/498334784.db2.gz GEDPFIYVVRPVGH-ICSRJNTNSA-N 2 2 350.466 3.004 20 30 FGEDLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000365476978 498486886 /nfs/dbraw/zinc/48/68/86/498486886.db2.gz NJARFHPSOOBRHX-QIIPPGSGSA-N 2 2 365.880 3.330 20 30 FGEDLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000365476978 498486892 /nfs/dbraw/zinc/48/68/92/498486892.db2.gz NJARFHPSOOBRHX-QIIPPGSGSA-N 2 2 365.880 3.330 20 30 FGEDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)cc1C#N ZINC000363526020 498861392 /nfs/dbraw/zinc/86/13/92/498861392.db2.gz BHIUCNMFCIYKNQ-IFXJQAMLSA-N 2 2 370.522 3.332 20 30 FGEDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2C)cc1C#N ZINC000363526020 498861396 /nfs/dbraw/zinc/86/13/96/498861396.db2.gz BHIUCNMFCIYKNQ-IFXJQAMLSA-N 2 2 370.522 3.332 20 30 FGEDLP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@H](c4[nH+]ccn4C)C3)CC2)CC1 ZINC000328877090 498971632 /nfs/dbraw/zinc/97/16/32/498971632.db2.gz SYWRNAPWWQAQOJ-VIQWUECVSA-N 2 2 373.545 3.167 20 30 FGEDLP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C2([NH+]3CCOCC3)CCC2)cc1 ZINC000329093129 499039735 /nfs/dbraw/zinc/03/97/35/499039735.db2.gz KDTFPLRGBMABOJ-MRXNPFEDSA-N 2 2 368.481 3.453 20 30 FGEDLP C[N@@H+]1CCC[C@H](C[NH2+]CC(=O)Nc2sccc2C#N)[C@H]1c1ccccc1 ZINC000375444954 499520047 /nfs/dbraw/zinc/52/00/47/499520047.db2.gz NZLMRSXWIYNACY-IEBWSBKVSA-N 2 2 368.506 3.231 20 30 FGEDLP C[N@H+]1CCC[C@H](C[NH2+]CC(=O)Nc2sccc2C#N)[C@H]1c1ccccc1 ZINC000375444954 499520049 /nfs/dbraw/zinc/52/00/49/499520049.db2.gz NZLMRSXWIYNACY-IEBWSBKVSA-N 2 2 368.506 3.231 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3cc(C#N)ccc3F)[C@@H](C)C2)s1 ZINC000375514371 499527465 /nfs/dbraw/zinc/52/74/65/499527465.db2.gz NPVVRZQOUQRIGE-DJJJIMSYSA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3cc(C#N)ccc3F)[C@@H](C)C2)s1 ZINC000375514371 499527467 /nfs/dbraw/zinc/52/74/67/499527467.db2.gz NPVVRZQOUQRIGE-DJJJIMSYSA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000377655168 499716219 /nfs/dbraw/zinc/71/62/19/499716219.db2.gz XZUFGCYWDNPVOI-INIZCTEOSA-N 2 2 364.449 3.132 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@H](C[NH3+])C2CC2)cc1OCC ZINC000414815002 499833962 /nfs/dbraw/zinc/83/39/62/499833962.db2.gz ZSDJDONPOBNIJE-OAHLLOKOSA-N 2 2 369.303 3.240 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CO)CC3CCCCC3)CC2)cc1 ZINC000417366350 500050817 /nfs/dbraw/zinc/05/08/17/500050817.db2.gz NKTMBQDEHJFKIR-QFIPXVFZSA-N 2 2 355.526 3.444 20 30 FGEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(F)c1C#N ZINC000428212625 500482102 /nfs/dbraw/zinc/48/21/02/500482102.db2.gz ZAPHWAHOBYFUNI-UHFFFAOYSA-N 3 2 372.532 3.325 20 30 FGEDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(F)c1C#N ZINC000428212625 500482103 /nfs/dbraw/zinc/48/21/03/500482103.db2.gz ZAPHWAHOBYFUNI-UHFFFAOYSA-N 3 2 372.532 3.325 20 30 FGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@@H]1C ZINC000484929877 502780129 /nfs/dbraw/zinc/78/01/29/502780129.db2.gz YOXPURZMSDFCAA-AZUAARDMSA-N 2 2 370.541 3.355 20 30 FGEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@@H]1C ZINC000484929877 502780134 /nfs/dbraw/zinc/78/01/34/502780134.db2.gz YOXPURZMSDFCAA-AZUAARDMSA-N 2 2 370.541 3.355 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@@H]1C ZINC000484929877 502780138 /nfs/dbraw/zinc/78/01/38/502780138.db2.gz YOXPURZMSDFCAA-AZUAARDMSA-N 2 2 370.541 3.355 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@@H]1C ZINC000484929877 502780141 /nfs/dbraw/zinc/78/01/41/502780141.db2.gz YOXPURZMSDFCAA-AZUAARDMSA-N 2 2 370.541 3.355 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1cn2ccc(C)cc2[nH+]1)C(C)C ZINC000516564308 503537775 /nfs/dbraw/zinc/53/77/75/503537775.db2.gz XDGFYESECNPFSM-LJQANCHMSA-N 2 2 369.513 3.141 20 30 FGEDLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 ZINC000517629759 503789896 /nfs/dbraw/zinc/78/98/96/503789896.db2.gz BWRRCXARYFZYMZ-KBPBESRZSA-N 2 2 355.404 3.166 20 30 FGEDLP C=CCC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)c1ccccc1 ZINC000537155214 503819928 /nfs/dbraw/zinc/81/99/28/503819928.db2.gz ANGCIBLQTAFFLK-OAQYLSRUSA-N 2 2 367.493 3.221 20 30 FGEDLP C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603658 504195339 /nfs/dbraw/zinc/19/53/39/504195339.db2.gz RNIHLUSSMCCCCN-YJBOKZPZSA-N 2 2 365.481 3.351 20 30 FGEDLP C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603658 504195343 /nfs/dbraw/zinc/19/53/43/504195343.db2.gz RNIHLUSSMCCCCN-YJBOKZPZSA-N 2 2 365.481 3.351 20 30 FGEDLP N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000542465189 504500494 /nfs/dbraw/zinc/50/04/94/504500494.db2.gz XDPUNQVBOYOBAK-FQEVSTJZSA-N 2 2 363.490 3.316 20 30 FGEDLP COc1ccccc1OCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000539499398 504591702 /nfs/dbraw/zinc/59/17/02/504591702.db2.gz FXYJEEWGPSXIER-UHFFFAOYSA-N 2 2 365.477 3.200 20 30 FGEDLP CC(C)[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](O)C(F)(F)F ZINC000589820456 506653286 /nfs/dbraw/zinc/65/32/86/506653286.db2.gz ANBUMYPUXYISGL-ROUUACIJSA-N 2 2 369.431 3.060 20 30 FGEDLP Cn1c2cc(F)ccc2[nH+]c1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593517819 506665577 /nfs/dbraw/zinc/66/55/77/506665577.db2.gz PQHXVSOANGFGAP-UHFFFAOYSA-N 2 2 363.440 3.082 20 30 FGEDLP CC(C)(C)n1cc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1 ZINC000593693406 506734561 /nfs/dbraw/zinc/73/45/61/506734561.db2.gz XTANTAJPJTXJNC-UHFFFAOYSA-N 2 2 351.498 3.264 20 30 FGEDLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000600722498 507082430 /nfs/dbraw/zinc/08/24/30/507082430.db2.gz QRTJMOPEEAABNB-FXAWDEMLSA-N 2 2 367.493 3.017 20 30 FGEDLP N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)c1 ZINC000610995346 507472511 /nfs/dbraw/zinc/47/25/11/507472511.db2.gz WGLZBFPXVYNGJZ-IEBWSBKVSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)c1 ZINC000610995346 507472515 /nfs/dbraw/zinc/47/25/15/507472515.db2.gz WGLZBFPXVYNGJZ-IEBWSBKVSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1cccc(-c2nnc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)o2)c1 ZINC000610995346 507472526 /nfs/dbraw/zinc/47/25/26/507472526.db2.gz WGLZBFPXVYNGJZ-IEBWSBKVSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1cccc(-c2nnc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)o2)c1 ZINC000610995346 507472534 /nfs/dbraw/zinc/47/25/34/507472534.db2.gz WGLZBFPXVYNGJZ-IEBWSBKVSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CCO)c3ccccc3F)CC2)cc1 ZINC000592376377 507627540 /nfs/dbraw/zinc/62/75/40/507627540.db2.gz HZGMQKLVHVZTQF-QFIPXVFZSA-N 2 2 367.468 3.375 20 30 FGEDLP C[S@@](=O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000611438672 507682940 /nfs/dbraw/zinc/68/29/40/507682940.db2.gz BUDXMOOKDPJZAS-AREMUKBSSA-N 2 2 367.518 3.050 20 30 FGEDLP C=CCOc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1Cl ZINC000648071468 718397729 /nfs/dbraw/zinc/39/77/29/718397729.db2.gz DKMKLFMWYGFFLI-UHFFFAOYSA-N 2 2 350.890 3.201 20 30 FGEDLP C=CCOc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1Cl ZINC000648071468 718397732 /nfs/dbraw/zinc/39/77/32/718397732.db2.gz DKMKLFMWYGFFLI-UHFFFAOYSA-N 2 2 350.890 3.201 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+](CC)CCC)c1=S ZINC000727820618 722447576 /nfs/dbraw/zinc/44/75/76/722447576.db2.gz LLRDLSDDXOIORC-UHFFFAOYSA-N 2 2 351.564 3.318 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+](CC)CCC)c1=S ZINC000727820618 722447577 /nfs/dbraw/zinc/44/75/77/722447577.db2.gz LLRDLSDDXOIORC-UHFFFAOYSA-N 2 2 351.564 3.318 20 30 FGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000834849289 729838988 /nfs/dbraw/zinc/83/89/88/729838988.db2.gz ACFPQTSOGGYWCE-FUHWJXTLSA-N 2 2 352.906 3.315 20 30 FGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000834849289 729838989 /nfs/dbraw/zinc/83/89/89/729838989.db2.gz ACFPQTSOGGYWCE-FUHWJXTLSA-N 2 2 352.906 3.315 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)CC1 ZINC000848528177 731175698 /nfs/dbraw/zinc/17/56/98/731175698.db2.gz JOLCRGNPSXUWEH-GFCCVEGCSA-N 2 2 369.303 3.464 20 30 FGEDLP C[NH+]=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)NC1CC1 ZINC000849050524 731224351 /nfs/dbraw/zinc/22/43/51/731224351.db2.gz VZMDQPRATRGSDY-GOSISDBHSA-N 2 2 354.523 3.175 20 30 FGEDLP C[NH+]=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)NC1CC1 ZINC000849050524 731224354 /nfs/dbraw/zinc/22/43/54/731224354.db2.gz VZMDQPRATRGSDY-GOSISDBHSA-N 2 2 354.523 3.175 20 30 FGEDLP C=CC[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C ZINC000917069878 758174401 /nfs/dbraw/zinc/17/44/01/758174401.db2.gz ZALFDXWJUZTTSJ-IBGZPJMESA-N 2 2 363.933 3.490 20 30 FGEDLP C=CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C ZINC000917069878 758174409 /nfs/dbraw/zinc/17/44/09/758174409.db2.gz ZALFDXWJUZTTSJ-IBGZPJMESA-N 2 2 363.933 3.490 20 30 FGEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(F)c(C#N)c2)[C@@H]1c1cnn(C)c1 ZINC000328630910 210120598 /nfs/dbraw/zinc/12/05/98/210120598.db2.gz JVWZBRVDUOTKIF-LAUBAEHRSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(F)c(C#N)c2)[C@@H]1c1cnn(C)c1 ZINC000328630910 210120602 /nfs/dbraw/zinc/12/06/02/210120602.db2.gz JVWZBRVDUOTKIF-LAUBAEHRSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(F)c(C#N)c2)[C@@H]1c1cnn(C)c1 ZINC000328630910 210120606 /nfs/dbraw/zinc/12/06/06/210120606.db2.gz JVWZBRVDUOTKIF-LAUBAEHRSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(F)c(C#N)c2)[C@@H]1c1cnn(C)c1 ZINC000328630910 210120608 /nfs/dbraw/zinc/12/06/08/210120608.db2.gz JVWZBRVDUOTKIF-LAUBAEHRSA-N 2 2 369.488 3.336 20 30 FGEDLP C=CC[NH+](CC=C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000058337450 493845303 /nfs/dbraw/zinc/84/53/03/493845303.db2.gz HWGLRDWQPVQIAE-IBGZPJMESA-N 2 2 361.917 3.267 20 30 FGEDLP C[C@H]1C[N@@H+](C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)CCO1 ZINC000092079204 494783035 /nfs/dbraw/zinc/78/30/35/494783035.db2.gz PRYSSEZZDREPTM-SFHVURJKSA-N 2 2 357.498 3.054 20 30 FGEDLP C[C@H]1C[N@H+](C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)CCO1 ZINC000092079204 494783036 /nfs/dbraw/zinc/78/30/36/494783036.db2.gz PRYSSEZZDREPTM-SFHVURJKSA-N 2 2 357.498 3.054 20 30 FGEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000093017038 494810360 /nfs/dbraw/zinc/81/03/60/494810360.db2.gz TZYOWEPLFFFUPR-GOSISDBHSA-N 2 2 364.917 3.449 20 30 FGEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000093017038 494810361 /nfs/dbraw/zinc/81/03/61/494810361.db2.gz TZYOWEPLFFFUPR-GOSISDBHSA-N 2 2 364.917 3.449 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244370 495054243 /nfs/dbraw/zinc/05/42/43/495054243.db2.gz XDIOVPYLSCDJJS-INIZCTEOSA-N 2 2 358.511 3.185 20 30 FGEDLP C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480640 495381296 /nfs/dbraw/zinc/38/12/96/495381296.db2.gz DFQCBQRFJXWNAP-UHFFFAOYSA-N 2 2 362.477 3.093 20 30 FGEDLP C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480640 495381300 /nfs/dbraw/zinc/38/13/00/495381300.db2.gz DFQCBQRFJXWNAP-UHFFFAOYSA-N 2 2 362.477 3.093 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150836291 495650930 /nfs/dbraw/zinc/65/09/30/495650930.db2.gz RGARMMSWJVYWON-VQTJNVASSA-N 2 2 368.525 3.048 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150836291 495650938 /nfs/dbraw/zinc/65/09/38/495650938.db2.gz RGARMMSWJVYWON-VQTJNVASSA-N 2 2 368.525 3.048 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2nnn(-c3ccc(F)cc3)c2C)CC1 ZINC000153004423 496322516 /nfs/dbraw/zinc/32/25/16/496322516.db2.gz WJYWCIPRYRJYJX-HNNXBMFYSA-N 2 2 357.477 3.406 20 30 FGEDLP C[NH+](C)Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000181416278 496385905 /nfs/dbraw/zinc/38/59/05/496385905.db2.gz XMXYEWLUQHQQPD-UHFFFAOYSA-N 3 2 362.521 3.374 20 30 FGEDLP CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000182092341 496666433 /nfs/dbraw/zinc/66/64/33/496666433.db2.gz WPJBFUKRENZMLQ-IBGZPJMESA-N 2 2 351.498 3.225 20 30 FGEDLP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000182092341 496666436 /nfs/dbraw/zinc/66/64/36/496666436.db2.gz WPJBFUKRENZMLQ-IBGZPJMESA-N 2 2 351.498 3.225 20 30 FGEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000247603995 496895515 /nfs/dbraw/zinc/89/55/15/496895515.db2.gz LKDQECOEBQXZGD-GDBMZVCRSA-N 2 2 369.469 3.191 20 30 FGEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000247603995 496895521 /nfs/dbraw/zinc/89/55/21/496895521.db2.gz LKDQECOEBQXZGD-GDBMZVCRSA-N 2 2 369.469 3.191 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000270346548 497106935 /nfs/dbraw/zinc/10/69/35/497106935.db2.gz OYFVWEBXFNQWRG-UGKGYDQZSA-N 2 2 360.461 3.414 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000270346548 497106938 /nfs/dbraw/zinc/10/69/38/497106938.db2.gz OYFVWEBXFNQWRG-UGKGYDQZSA-N 2 2 360.461 3.414 20 30 FGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000274834500 497177619 /nfs/dbraw/zinc/17/76/19/497177619.db2.gz NDMXTRHURPNOSK-CRAIPNDOSA-N 2 2 368.506 3.058 20 30 FGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000274834500 497177624 /nfs/dbraw/zinc/17/76/24/497177624.db2.gz NDMXTRHURPNOSK-CRAIPNDOSA-N 2 2 368.506 3.058 20 30 FGEDLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000278669172 497184286 /nfs/dbraw/zinc/18/42/86/497184286.db2.gz QVQPSCUFXNIJDW-UHFFFAOYSA-N 2 2 364.449 3.134 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)cc1 ZINC000252734526 497318783 /nfs/dbraw/zinc/31/87/83/497318783.db2.gz NGCZPIDGOUWVCB-YPAWHYETSA-N 2 2 365.521 3.460 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267405352 497544684 /nfs/dbraw/zinc/54/46/84/497544684.db2.gz GWZDOYHEOIBCOF-HOTGVXAUSA-N 2 2 358.511 3.254 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267405352 497544686 /nfs/dbraw/zinc/54/46/86/497544686.db2.gz GWZDOYHEOIBCOF-HOTGVXAUSA-N 2 2 358.511 3.254 20 30 FGEDLP N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000246549339 497771663 /nfs/dbraw/zinc/77/16/63/497771663.db2.gz KHKNITCNWFXFPY-PKOBYXMFSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000246549339 497771670 /nfs/dbraw/zinc/77/16/70/497771670.db2.gz KHKNITCNWFXFPY-PKOBYXMFSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1ccc(-c2nnc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000246549339 497771675 /nfs/dbraw/zinc/77/16/75/497771675.db2.gz KHKNITCNWFXFPY-PKOBYXMFSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1ccc(-c2nnc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000246549339 497771683 /nfs/dbraw/zinc/77/16/83/497771683.db2.gz KHKNITCNWFXFPY-PKOBYXMFSA-N 2 2 363.465 3.057 20 30 FGEDLP CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000329805996 497908011 /nfs/dbraw/zinc/90/80/11/497908011.db2.gz NOTBIMTVOPRXDB-HQSKLWIPSA-N 2 2 359.518 3.012 20 30 FGEDLP CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000329805996 497908017 /nfs/dbraw/zinc/90/80/17/497908017.db2.gz NOTBIMTVOPRXDB-HQSKLWIPSA-N 2 2 359.518 3.012 20 30 FGEDLP COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000364465679 497971972 /nfs/dbraw/zinc/97/19/72/497971972.db2.gz PMQPGLNQAKCLOP-AUUYWEPGSA-N 2 2 370.522 3.332 20 30 FGEDLP COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000364465679 497971976 /nfs/dbraw/zinc/97/19/76/497971976.db2.gz PMQPGLNQAKCLOP-AUUYWEPGSA-N 2 2 370.522 3.332 20 30 FGEDLP C[NH+]1CCC(CNC(=O)Cc2ccc3n[nH]cc3c2)([NH+]2CCCCC2)CC1 ZINC000330017242 497992917 /nfs/dbraw/zinc/99/29/17/497992917.db2.gz QTHLRLCERYTYEE-UHFFFAOYSA-N 2 2 369.513 3.012 20 30 FGEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2[nH+]ccn2CC)CC1 ZINC000281716816 498246146 /nfs/dbraw/zinc/24/61/46/498246146.db2.gz QJZDZLUJZSQDIM-GOSISDBHSA-N 2 2 359.518 3.180 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)[C@@H](C)C2)s1 ZINC000365323293 498405936 /nfs/dbraw/zinc/40/59/36/498405936.db2.gz KWLNBDUTTARQBE-DJJJIMSYSA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)[C@@H](C)C2)s1 ZINC000365323293 498405942 /nfs/dbraw/zinc/40/59/42/498405942.db2.gz KWLNBDUTTARQBE-DJJJIMSYSA-N 2 2 358.486 3.463 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000332246392 498617876 /nfs/dbraw/zinc/61/78/76/498617876.db2.gz XBUAMNRGMQIATJ-SBHAEUEKSA-N 2 2 362.562 3.017 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000332246392 498617883 /nfs/dbraw/zinc/61/78/83/498617883.db2.gz XBUAMNRGMQIATJ-SBHAEUEKSA-N 2 2 362.562 3.017 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cc(F)cnc3Cl)CC2)cc1 ZINC000294684064 498772534 /nfs/dbraw/zinc/77/25/34/498772534.db2.gz BJMOVLNJROSZQU-UHFFFAOYSA-N 2 2 358.848 3.500 20 30 FGEDLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000328652818 498890210 /nfs/dbraw/zinc/89/02/10/498890210.db2.gz KQMJIYPUQSYJBR-HZPDHXFCSA-N 2 2 363.531 3.082 20 30 FGEDLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000328652818 498890219 /nfs/dbraw/zinc/89/02/19/498890219.db2.gz KQMJIYPUQSYJBR-HZPDHXFCSA-N 2 2 363.531 3.082 20 30 FGEDLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000329493464 499127939 /nfs/dbraw/zinc/12/79/39/499127939.db2.gz DXOKQBFHBPAXQB-KRWDZBQOSA-N 2 2 355.486 3.468 20 30 FGEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)[nH+]1 ZINC000369901872 499148363 /nfs/dbraw/zinc/14/83/63/499148363.db2.gz ZRWWPNVAOKJXHQ-MRXNPFEDSA-N 2 2 369.494 3.228 20 30 FGEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)[nH+]1 ZINC000369901872 499148365 /nfs/dbraw/zinc/14/83/65/499148365.db2.gz ZRWWPNVAOKJXHQ-MRXNPFEDSA-N 2 2 369.494 3.228 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1OCC ZINC000414845642 499837135 /nfs/dbraw/zinc/83/71/35/499837135.db2.gz MHSFLWKWUCEYLY-CQSZACIVSA-N 2 2 369.303 3.254 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1OCC ZINC000414895396 499842619 /nfs/dbraw/zinc/84/26/19/499842619.db2.gz NLLCNIAGIOONJK-OAHLLOKOSA-N 2 2 369.303 3.240 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000414922410 499844925 /nfs/dbraw/zinc/84/49/25/499844925.db2.gz GBBOUSAMWWPENN-SWLSCSKDSA-N 2 2 369.303 3.110 20 30 FGEDLP COc1ccc(C[NH+]2CCC(CNc3cc(C)[nH+]cc3C#N)CC2)cc1 ZINC000425218375 500047019 /nfs/dbraw/zinc/04/70/19/500047019.db2.gz YAFPQBVMPPDYHU-UHFFFAOYSA-N 2 2 350.466 3.016 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(F)cc2I)CC1 ZINC000417905495 500195690 /nfs/dbraw/zinc/19/56/90/500195690.db2.gz YHBYLXZKLJHZRE-UHFFFAOYSA-N 2 2 374.241 3.170 20 30 FGEDLP C=CCOc1cccc(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435434056 500975648 /nfs/dbraw/zinc/97/56/48/500975648.db2.gz WBDDJZLTKMGQCG-HXUWFJFHSA-N 2 2 366.509 3.129 20 30 FGEDLP C=CCOc1cccc(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435434056 500975650 /nfs/dbraw/zinc/97/56/50/500975650.db2.gz WBDDJZLTKMGQCG-HXUWFJFHSA-N 2 2 366.509 3.129 20 30 FGEDLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000464786175 502094324 /nfs/dbraw/zinc/09/43/24/502094324.db2.gz VVJZRYNHKMQEGI-WOJBJXKFSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000464786175 502094331 /nfs/dbraw/zinc/09/43/31/502094331.db2.gz VVJZRYNHKMQEGI-WOJBJXKFSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000464786175 502094339 /nfs/dbraw/zinc/09/43/39/502094339.db2.gz VVJZRYNHKMQEGI-WOJBJXKFSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000464786175 502094342 /nfs/dbraw/zinc/09/43/42/502094342.db2.gz VVJZRYNHKMQEGI-WOJBJXKFSA-N 2 2 370.541 3.212 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1OC ZINC000470012837 502630148 /nfs/dbraw/zinc/63/01/48/502630148.db2.gz SIFKESJTEONMTC-ZDUSSCGKSA-N 2 2 369.303 3.064 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc1OC ZINC000470012837 502630152 /nfs/dbraw/zinc/63/01/52/502630152.db2.gz SIFKESJTEONMTC-ZDUSSCGKSA-N 2 2 369.303 3.064 20 30 FGEDLP C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000533308874 503802242 /nfs/dbraw/zinc/80/22/42/503802242.db2.gz GXCOZCHPOUIQMQ-OAHLLOKOSA-N 2 2 370.447 3.439 20 30 FGEDLP COCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(C#N)cc1 ZINC000542464159 504500726 /nfs/dbraw/zinc/50/07/26/504500726.db2.gz AKGWGLBFSPVCPS-UHFFFAOYSA-N 2 2 352.463 3.454 20 30 FGEDLP COCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(C#N)cc1 ZINC000542464159 504500729 /nfs/dbraw/zinc/50/07/29/504500729.db2.gz AKGWGLBFSPVCPS-UHFFFAOYSA-N 2 2 352.463 3.454 20 30 FGEDLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000583258165 506681720 /nfs/dbraw/zinc/68/17/20/506681720.db2.gz KQQLWPQGWVHKQA-YLJYHZDGSA-N 2 2 367.493 3.017 20 30 FGEDLP COC(=O)c1coc([C@@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593720497 506747137 /nfs/dbraw/zinc/74/71/37/506747137.db2.gz GEFBGIUTRWKYBH-OAHLLOKOSA-N 2 2 367.449 3.253 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609157496 506798212 /nfs/dbraw/zinc/79/82/12/506798212.db2.gz WQVFBSHUCOFLIJ-IBGZPJMESA-N 2 2 365.481 3.084 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609157496 506798218 /nfs/dbraw/zinc/79/82/18/506798218.db2.gz WQVFBSHUCOFLIJ-IBGZPJMESA-N 2 2 365.481 3.084 20 30 FGEDLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000590602298 506875144 /nfs/dbraw/zinc/87/51/44/506875144.db2.gz HJECUNCOSIEUBQ-JOCHJYFZSA-N 2 2 369.484 3.401 20 30 FGEDLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000590602298 506875148 /nfs/dbraw/zinc/87/51/48/506875148.db2.gz HJECUNCOSIEUBQ-JOCHJYFZSA-N 2 2 369.484 3.401 20 30 FGEDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000590602298 506875151 /nfs/dbraw/zinc/87/51/51/506875151.db2.gz HJECUNCOSIEUBQ-JOCHJYFZSA-N 2 2 369.484 3.401 20 30 FGEDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000590602298 506875155 /nfs/dbraw/zinc/87/51/55/506875155.db2.gz HJECUNCOSIEUBQ-JOCHJYFZSA-N 2 2 369.484 3.401 20 30 FGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000584261612 507241634 /nfs/dbraw/zinc/24/16/34/507241634.db2.gz NCFAATZJAUTIOD-FYYLOGMGSA-N 2 2 361.489 3.426 20 30 FGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000584261612 507241641 /nfs/dbraw/zinc/24/16/41/507241641.db2.gz NCFAATZJAUTIOD-FYYLOGMGSA-N 2 2 361.489 3.426 20 30 FGEDLP COc1cncc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1C ZINC000601130139 507271471 /nfs/dbraw/zinc/27/14/71/507271471.db2.gz FOAPWCXKLZDHRP-UHFFFAOYSA-N 2 2 350.466 3.025 20 30 FGEDLP N#CC1(c2ccc(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)cc2)CC1 ZINC000594926145 507316865 /nfs/dbraw/zinc/31/68/65/507316865.db2.gz SPQUXXSPQSQFIQ-UHFFFAOYSA-N 2 2 361.489 3.364 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(O)CCC(F)(F)CC3)CC2)cc1 ZINC000594999269 507348206 /nfs/dbraw/zinc/34/82/06/507348206.db2.gz BUPKPPTXENOIAL-UHFFFAOYSA-N 2 2 363.452 3.053 20 30 FGEDLP C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000602004363 507550852 /nfs/dbraw/zinc/55/08/52/507550852.db2.gz UYBSJMPVRMBIKU-OAHLLOKOSA-N 2 2 370.447 3.439 20 30 FGEDLP COc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1OCCCC#N ZINC000611268099 507591595 /nfs/dbraw/zinc/59/15/95/507591595.db2.gz LBKSUJZLFZGDFO-GOSISDBHSA-N 2 2 354.454 3.411 20 30 FGEDLP COc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1OCCCC#N ZINC000611268099 507591602 /nfs/dbraw/zinc/59/16/02/507591602.db2.gz LBKSUJZLFZGDFO-GOSISDBHSA-N 2 2 354.454 3.411 20 30 FGEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C(C)(C)c3cccc(C#N)c3)c2cc1C ZINC000595634892 507606495 /nfs/dbraw/zinc/60/64/95/507606495.db2.gz HLDNFQLIJSOZMM-LJQANCHMSA-N 2 2 362.477 3.411 20 30 FGEDLP CN(C(=[NH2+])NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1CC1 ZINC000305810474 713793676 /nfs/dbraw/zinc/79/36/76/713793676.db2.gz IYJDXUUIRSEDKP-GOSISDBHSA-N 2 2 354.523 3.256 20 30 FGEDLP CN(C(=[NH2+])NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1CC1 ZINC000305810474 713793678 /nfs/dbraw/zinc/79/36/78/713793678.db2.gz IYJDXUUIRSEDKP-GOSISDBHSA-N 2 2 354.523 3.256 20 30 FGEDLP CCCCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000734264415 722505583 /nfs/dbraw/zinc/50/55/83/722505583.db2.gz VJHFHVOQZOYFOO-GOSISDBHSA-N 2 2 352.567 3.205 20 30 FGEDLP CCCCCCCCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000734264415 722505584 /nfs/dbraw/zinc/50/55/84/722505584.db2.gz VJHFHVOQZOYFOO-GOSISDBHSA-N 2 2 352.567 3.205 20 30 FGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000834849292 729839021 /nfs/dbraw/zinc/83/90/21/729839021.db2.gz ACFPQTSOGGYWCE-WMZOPIPTSA-N 2 2 352.906 3.315 20 30 FGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000834849292 729839024 /nfs/dbraw/zinc/83/90/24/729839024.db2.gz ACFPQTSOGGYWCE-WMZOPIPTSA-N 2 2 352.906 3.315 20 30 FGEDLP C[N@H+](Cc1cn2ccccc2c1C#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969083 493804121 /nfs/dbraw/zinc/80/41/21/493804121.db2.gz LHBCATFIEGWYAW-UHFFFAOYSA-N 2 2 373.504 3.345 20 30 FGEDLP C[N@@H+](Cc1cn2ccccc2c1C#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969083 493804126 /nfs/dbraw/zinc/80/41/26/493804126.db2.gz LHBCATFIEGWYAW-UHFFFAOYSA-N 2 2 373.504 3.345 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868878 494273244 /nfs/dbraw/zinc/27/32/44/494273244.db2.gz SMJGQXXADDDTOJ-CTNGQTDRSA-N 2 2 357.542 3.253 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868878 494273249 /nfs/dbraw/zinc/27/32/49/494273249.db2.gz SMJGQXXADDDTOJ-CTNGQTDRSA-N 2 2 357.542 3.253 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868878 494273252 /nfs/dbraw/zinc/27/32/52/494273252.db2.gz SMJGQXXADDDTOJ-CTNGQTDRSA-N 2 2 357.542 3.253 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868878 494273257 /nfs/dbraw/zinc/27/32/57/494273257.db2.gz SMJGQXXADDDTOJ-CTNGQTDRSA-N 2 2 357.542 3.253 20 30 FGEDLP C=C[C@@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000122218413 494942183 /nfs/dbraw/zinc/94/21/83/494942183.db2.gz WLKRVOJWSKDRAA-SFHVURJKSA-N 2 2 355.526 3.021 20 30 FGEDLP CC(C)[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)[N@@H+]1CCc2ccccc2C1 ZINC000123222457 495098970 /nfs/dbraw/zinc/09/89/70/495098970.db2.gz JSZWOLWHMDBKOH-QFIPXVFZSA-N 2 2 373.504 3.378 20 30 FGEDLP CC(C)[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)[N@H+]1CCc2ccccc2C1 ZINC000123222457 495098972 /nfs/dbraw/zinc/09/89/72/495098972.db2.gz JSZWOLWHMDBKOH-QFIPXVFZSA-N 2 2 373.504 3.378 20 30 FGEDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000106214088 495433622 /nfs/dbraw/zinc/43/36/22/495433622.db2.gz LKDQECOEBQXZGD-HOCLYGCPSA-N 2 2 369.469 3.191 20 30 FGEDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000106214088 495433627 /nfs/dbraw/zinc/43/36/27/495433627.db2.gz LKDQECOEBQXZGD-HOCLYGCPSA-N 2 2 369.469 3.191 20 30 FGEDLP C[C@@H](CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCCCC1 ZINC000183226400 495888385 /nfs/dbraw/zinc/88/83/85/495888385.db2.gz QXMIZEFIXKBWBG-IBGZPJMESA-N 3 2 354.542 3.377 20 30 FGEDLP C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181089254 496265279 /nfs/dbraw/zinc/26/52/79/496265279.db2.gz XDMAMMFPLGYNGI-INIZCTEOSA-N 2 2 371.510 3.095 20 30 FGEDLP C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181089254 496265286 /nfs/dbraw/zinc/26/52/86/496265286.db2.gz XDMAMMFPLGYNGI-INIZCTEOSA-N 2 2 371.510 3.095 20 30 FGEDLP Cn1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000182093321 496666376 /nfs/dbraw/zinc/66/63/76/496666376.db2.gz TUWXMSDKMUCSHN-SFHVURJKSA-N 2 2 374.492 3.147 20 30 FGEDLP Cn1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000182093321 496666382 /nfs/dbraw/zinc/66/63/82/496666382.db2.gz TUWXMSDKMUCSHN-SFHVURJKSA-N 2 2 374.492 3.147 20 30 FGEDLP COc1cc(F)cc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000182104710 496672050 /nfs/dbraw/zinc/67/20/50/496672050.db2.gz FMIOUZREBSRYFN-UHFFFAOYSA-N 2 2 353.441 3.460 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246984433 496743142 /nfs/dbraw/zinc/74/31/42/496743142.db2.gz LBSRBJCURJZARP-SVMVAKDDSA-N 2 2 364.493 3.373 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000246984433 496743148 /nfs/dbraw/zinc/74/31/48/496743148.db2.gz LBSRBJCURJZARP-SVMVAKDDSA-N 2 2 364.493 3.373 20 30 FGEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC[C@H]21 ZINC000248181991 496968864 /nfs/dbraw/zinc/96/88/64/496968864.db2.gz WOCYWQAONHIQKI-QFBILLFUSA-N 2 2 374.916 3.003 20 30 FGEDLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC[C@H]21 ZINC000248181991 496968865 /nfs/dbraw/zinc/96/88/65/496968865.db2.gz WOCYWQAONHIQKI-QFBILLFUSA-N 2 2 374.916 3.003 20 30 FGEDLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC[C@H]21 ZINC000248181991 496968866 /nfs/dbraw/zinc/96/88/66/496968866.db2.gz WOCYWQAONHIQKI-QFBILLFUSA-N 2 2 374.916 3.003 20 30 FGEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC[C@H]21 ZINC000248181991 496968867 /nfs/dbraw/zinc/96/88/67/496968867.db2.gz WOCYWQAONHIQKI-QFBILLFUSA-N 2 2 374.916 3.003 20 30 FGEDLP CC[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261985182 497487415 /nfs/dbraw/zinc/48/74/15/497487415.db2.gz PWUSJQMTOVTFIU-RVKKMQEKSA-N 2 2 372.517 3.140 20 30 FGEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H](C)C1 ZINC000246421448 497729572 /nfs/dbraw/zinc/72/95/72/497729572.db2.gz BWDWOXFRABQCFO-PXNSSMCTSA-N 2 2 366.509 3.400 20 30 FGEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H](C)C1 ZINC000246421448 497729578 /nfs/dbraw/zinc/72/95/78/497729578.db2.gz BWDWOXFRABQCFO-PXNSSMCTSA-N 2 2 366.509 3.400 20 30 FGEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H](C)C1 ZINC000246421448 497729585 /nfs/dbraw/zinc/72/95/85/497729585.db2.gz BWDWOXFRABQCFO-PXNSSMCTSA-N 2 2 366.509 3.400 20 30 FGEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H](C)C1 ZINC000246421448 497729588 /nfs/dbraw/zinc/72/95/88/497729588.db2.gz BWDWOXFRABQCFO-PXNSSMCTSA-N 2 2 366.509 3.400 20 30 FGEDLP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000277209242 497776260 /nfs/dbraw/zinc/77/62/60/497776260.db2.gz KTLNTINZWLWPNC-INIZCTEOSA-N 2 2 372.513 3.025 20 30 FGEDLP COc1ccc(C#N)cc1C[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000364465682 497971678 /nfs/dbraw/zinc/97/16/78/497971678.db2.gz PMQPGLNQAKCLOP-KUHUBIRLSA-N 2 2 370.522 3.332 20 30 FGEDLP COc1ccc(C#N)cc1C[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000364465682 497971682 /nfs/dbraw/zinc/97/16/82/497971682.db2.gz PMQPGLNQAKCLOP-KUHUBIRLSA-N 2 2 370.522 3.332 20 30 FGEDLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000328652817 498890291 /nfs/dbraw/zinc/89/02/91/498890291.db2.gz KQMJIYPUQSYJBR-CVEARBPZSA-N 2 2 363.531 3.082 20 30 FGEDLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000328652817 498890296 /nfs/dbraw/zinc/89/02/96/498890296.db2.gz KQMJIYPUQSYJBR-CVEARBPZSA-N 2 2 363.531 3.082 20 30 FGEDLP CC[C@H](COCC(F)(F)F)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000295094154 498907536 /nfs/dbraw/zinc/90/75/36/498907536.db2.gz JPPCDEQSZWNMKU-QGZVFWFLSA-N 2 2 369.431 3.470 20 30 FGEDLP Cc1ccc(NC(=O)NC(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000328770803 498932614 /nfs/dbraw/zinc/93/26/14/498932614.db2.gz AHAHSHLYHZQVPJ-HXUWFJFHSA-N 2 2 358.486 3.210 20 30 FGEDLP Cc1ccc(NC(=O)NC(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000328770803 498932619 /nfs/dbraw/zinc/93/26/19/498932619.db2.gz AHAHSHLYHZQVPJ-HXUWFJFHSA-N 2 2 358.486 3.210 20 30 FGEDLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1C ZINC000328770803 498932627 /nfs/dbraw/zinc/93/26/27/498932627.db2.gz AHAHSHLYHZQVPJ-HXUWFJFHSA-N 2 2 358.486 3.210 20 30 FGEDLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1C ZINC000328770803 498932634 /nfs/dbraw/zinc/93/26/34/498932634.db2.gz AHAHSHLYHZQVPJ-HXUWFJFHSA-N 2 2 358.486 3.210 20 30 FGEDLP Cn1nccc1[C@H]1[C@H](C[N@H+](C)CC(=O)NC2CCCCC2)CCC[NH+]1C ZINC000329074264 499033280 /nfs/dbraw/zinc/03/32/80/499033280.db2.gz BIDPYZFXDRFCBD-OXJNMPFZSA-N 2 2 361.534 3.024 20 30 FGEDLP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)CC(=O)NC2CCCCC2)CCC[NH+]1C ZINC000329074264 499033283 /nfs/dbraw/zinc/03/32/83/499033283.db2.gz BIDPYZFXDRFCBD-OXJNMPFZSA-N 2 2 361.534 3.024 20 30 FGEDLP Cn1nccc1[C@H]1[C@H](C[NH+](C)CC(=O)NC2CCCCC2)CCC[N@@H+]1C ZINC000329074264 499033285 /nfs/dbraw/zinc/03/32/85/499033285.db2.gz BIDPYZFXDRFCBD-OXJNMPFZSA-N 2 2 361.534 3.024 20 30 FGEDLP Cn1nccc1[C@H]1[C@H](C[NH+](C)CC(=O)NC2CCCCC2)CCC[N@H+]1C ZINC000329074264 499033292 /nfs/dbraw/zinc/03/32/92/499033292.db2.gz BIDPYZFXDRFCBD-OXJNMPFZSA-N 2 2 361.534 3.024 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[N@H+](C)C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000367422707 499197195 /nfs/dbraw/zinc/19/71/95/499197195.db2.gz MHIWWVHFJMMYMW-QGZVFWFLSA-N 2 2 350.466 3.473 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[N@@H+](C)C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000367422707 499197197 /nfs/dbraw/zinc/19/71/97/499197197.db2.gz MHIWWVHFJMMYMW-QGZVFWFLSA-N 2 2 350.466 3.473 20 30 FGEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C#N)c(F)c1 ZINC000375461993 499521737 /nfs/dbraw/zinc/52/17/37/499521737.db2.gz KKADGSPKPMEVTE-UHFFFAOYSA-N 3 2 372.532 3.325 20 30 FGEDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C#N)c(F)c1 ZINC000375461993 499521739 /nfs/dbraw/zinc/52/17/39/499521739.db2.gz KKADGSPKPMEVTE-UHFFFAOYSA-N 3 2 372.532 3.325 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3F)[C@H](C)C2)s1 ZINC000375514369 499527399 /nfs/dbraw/zinc/52/73/99/499527399.db2.gz NPVVRZQOUQRIGE-BFUOFWGJSA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3F)[C@H](C)C2)s1 ZINC000375514369 499527400 /nfs/dbraw/zinc/52/74/00/499527400.db2.gz NPVVRZQOUQRIGE-BFUOFWGJSA-N 2 2 358.486 3.463 20 30 FGEDLP N#CCCn1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(-c2ccccc2)n1 ZINC000376729304 499632595 /nfs/dbraw/zinc/63/25/95/499632595.db2.gz PGJBAFJFXQJQMS-UHFFFAOYSA-N 2 2 360.465 3.286 20 30 FGEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C#N)cc1F ZINC000377268318 499675497 /nfs/dbraw/zinc/67/54/97/499675497.db2.gz SSWRTVALMDWQDL-UHFFFAOYSA-N 3 2 372.532 3.325 20 30 FGEDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C#N)cc1F ZINC000377268318 499675498 /nfs/dbraw/zinc/67/54/98/499675498.db2.gz SSWRTVALMDWQDL-UHFFFAOYSA-N 3 2 372.532 3.325 20 30 FGEDLP COc1cc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)ccc1C#N ZINC000414716407 499822575 /nfs/dbraw/zinc/82/25/75/499822575.db2.gz OPEUWYXAGOOEFS-FQEVSTJZSA-N 2 2 350.466 3.106 20 30 FGEDLP COc1cc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)ccc1C#N ZINC000414716407 499822576 /nfs/dbraw/zinc/82/25/76/499822576.db2.gz OPEUWYXAGOOEFS-FQEVSTJZSA-N 2 2 350.466 3.106 20 30 FGEDLP C[N@H+](CC#Cc1cccc(Cl)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425943525 500214724 /nfs/dbraw/zinc/21/47/24/500214724.db2.gz RHOZPHVOUHNBAR-QFIPXVFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425943525 500214727 /nfs/dbraw/zinc/21/47/27/500214727.db2.gz RHOZPHVOUHNBAR-QFIPXVFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C[NH+](CC#Cc1cccc(Cl)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425943525 500214728 /nfs/dbraw/zinc/21/47/28/500214728.db2.gz RHOZPHVOUHNBAR-QFIPXVFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C[NH+](CC#Cc1cccc(Cl)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425943525 500214729 /nfs/dbraw/zinc/21/47/29/500214729.db2.gz RHOZPHVOUHNBAR-QFIPXVFZSA-N 2 2 368.908 3.260 20 30 FGEDLP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C#N)CC1 ZINC000426992186 500342793 /nfs/dbraw/zinc/34/27/93/500342793.db2.gz QFENWSQPGGGYQA-UHFFFAOYSA-N 2 2 362.543 3.229 20 30 FGEDLP COc1cc(C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)ccc1C#N ZINC000442802558 500627564 /nfs/dbraw/zinc/62/75/64/500627564.db2.gz QAHMAKPYXHFEGH-UHFFFAOYSA-N 2 2 365.481 3.111 20 30 FGEDLP Cc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)CO2 ZINC000598988200 506263413 /nfs/dbraw/zinc/26/34/13/506263413.db2.gz ZEUIMSFVHQKHEC-OAQYLSRUSA-N 2 2 361.489 3.424 20 30 FGEDLP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C1)CCCC2 ZINC000459435489 501653528 /nfs/dbraw/zinc/65/35/28/501653528.db2.gz VWWPUFJGCHOHNT-INIZCTEOSA-N 2 2 365.437 3.297 20 30 FGEDLP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C1)CCCC2 ZINC000459435489 501653530 /nfs/dbraw/zinc/65/35/30/501653530.db2.gz VWWPUFJGCHOHNT-INIZCTEOSA-N 2 2 365.437 3.297 20 30 FGEDLP Cn1cc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000478251756 501921687 /nfs/dbraw/zinc/92/16/87/501921687.db2.gz KLUJKNXKWJQMEI-UHFFFAOYSA-N 2 2 368.444 3.434 20 30 FGEDLP COC(=O)c1oc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000602744881 506282153 /nfs/dbraw/zinc/28/21/53/506282153.db2.gz UVLNNVISMQIVSP-UHFFFAOYSA-N 2 2 367.449 3.001 20 30 FGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000483537526 502424921 /nfs/dbraw/zinc/42/49/21/502424921.db2.gz IGAZERHLPKRLOR-UHFFFAOYSA-N 2 2 371.488 3.370 20 30 FGEDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000472772884 502437085 /nfs/dbraw/zinc/43/70/85/502437085.db2.gz NUSKAQYNPDUWSR-IBGZPJMESA-N 2 2 363.509 3.103 20 30 FGEDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000472772884 502437089 /nfs/dbraw/zinc/43/70/89/502437089.db2.gz NUSKAQYNPDUWSR-IBGZPJMESA-N 2 2 363.509 3.103 20 30 FGEDLP C=CCC[C@H](O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510946424 503223080 /nfs/dbraw/zinc/22/30/80/503223080.db2.gz BHICLWDIYIQYBK-AWEZNQCLSA-N 2 2 368.275 3.068 20 30 FGEDLP C=CCC[C@H](O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510946424 503223082 /nfs/dbraw/zinc/22/30/82/503223082.db2.gz BHICLWDIYIQYBK-AWEZNQCLSA-N 2 2 368.275 3.068 20 30 FGEDLP Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C#N)c1C ZINC000532949800 503671458 /nfs/dbraw/zinc/67/14/58/503671458.db2.gz HWTRKSPUXAQDJF-OAHLLOKOSA-N 2 2 360.502 3.147 20 30 FGEDLP Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C#N)c1C ZINC000532949800 503671465 /nfs/dbraw/zinc/67/14/65/503671465.db2.gz HWTRKSPUXAQDJF-OAHLLOKOSA-N 2 2 360.502 3.147 20 30 FGEDLP C=CCOc1ccccc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000533186725 503754333 /nfs/dbraw/zinc/75/43/33/503754333.db2.gz AFYVUXBLJDOKEM-UHFFFAOYSA-N 2 2 366.509 3.211 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000565743717 504974787 /nfs/dbraw/zinc/97/47/87/504974787.db2.gz NSLOLICOPLIRPO-IBGZPJMESA-N 2 2 366.534 3.012 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000565743717 504974792 /nfs/dbraw/zinc/97/47/92/504974792.db2.gz NSLOLICOPLIRPO-IBGZPJMESA-N 2 2 366.534 3.012 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1c[nH+]ccc1OC ZINC000557757032 505222903 /nfs/dbraw/zinc/22/29/03/505222903.db2.gz PLGYSXNBEKSWEQ-UHFFFAOYSA-N 2 2 373.526 3.188 20 30 FGEDLP CC(=O)Nc1ccccc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593692800 506734981 /nfs/dbraw/zinc/73/49/81/506734981.db2.gz KIZOIEHLGFEOHR-UHFFFAOYSA-N 2 2 362.477 3.271 20 30 FGEDLP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C12CCC2 ZINC000593703396 506741044 /nfs/dbraw/zinc/74/10/44/506741044.db2.gz SSLKVFICPUOJMV-SFTDATJTSA-N 2 2 353.510 3.460 20 30 FGEDLP N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000610572759 507296276 /nfs/dbraw/zinc/29/62/76/507296276.db2.gz LFXYTUJRORADGJ-INIZCTEOSA-N 2 2 357.845 3.074 20 30 FGEDLP N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1Cl ZINC000610572759 507296283 /nfs/dbraw/zinc/29/62/83/507296283.db2.gz LFXYTUJRORADGJ-INIZCTEOSA-N 2 2 357.845 3.074 20 30 FGEDLP C=C1CC[NH+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000584365743 507306152 /nfs/dbraw/zinc/30/61/52/507306152.db2.gz IDHNRKPZQYJUSK-LJQANCHMSA-N 2 2 361.917 3.245 20 30 FGEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H]3CCc4cc(C#N)ccc43)c2cc1C ZINC000591763880 507351995 /nfs/dbraw/zinc/35/19/95/507351995.db2.gz PDYRVOXMCOIDMH-ICSRJNTNSA-N 2 2 360.461 3.163 20 30 FGEDLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccncc2C#N)CC1 ZINC000592093872 507481158 /nfs/dbraw/zinc/48/11/58/507481158.db2.gz PSOMNUAQCYIMCR-MRXNPFEDSA-N 2 2 367.472 3.085 20 30 FGEDLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc(F)c3C#N)c2)CCO1 ZINC000602004383 507550693 /nfs/dbraw/zinc/55/06/93/507550693.db2.gz DIYOKAYRHOZWAQ-INIZCTEOSA-N 2 2 353.441 3.208 20 30 FGEDLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(F)c3C#N)c2)CCO1 ZINC000602004383 507550698 /nfs/dbraw/zinc/55/06/98/507550698.db2.gz DIYOKAYRHOZWAQ-INIZCTEOSA-N 2 2 353.441 3.208 20 30 FGEDLP C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@@H+]1CCc2sccc2C1 ZINC000262308573 713723675 /nfs/dbraw/zinc/72/36/75/713723675.db2.gz RXOVMWAXTVPKBF-LLVKDONJSA-N 2 2 350.438 3.200 20 30 FGEDLP C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@H+]1CCc2sccc2C1 ZINC000262308573 713723677 /nfs/dbraw/zinc/72/36/77/713723677.db2.gz RXOVMWAXTVPKBF-LLVKDONJSA-N 2 2 350.438 3.200 20 30 FGEDLP C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755777424 722956810 /nfs/dbraw/zinc/95/68/10/722956810.db2.gz GGAIHZPFRCXZAB-KRWDZBQOSA-N 2 2 361.559 3.099 20 30 FGEDLP C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755777424 722956811 /nfs/dbraw/zinc/95/68/11/722956811.db2.gz GGAIHZPFRCXZAB-KRWDZBQOSA-N 2 2 361.559 3.099 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000768215867 723650588 /nfs/dbraw/zinc/65/05/88/723650588.db2.gz CSNUJJMIOLVZTK-INIZCTEOSA-N 2 2 351.535 3.262 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000080972900 493805241 /nfs/dbraw/zinc/80/52/41/493805241.db2.gz ZSESUMNRKQIRCV-GOSISDBHSA-N 2 2 365.481 3.153 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1C ZINC000080972900 493805246 /nfs/dbraw/zinc/80/52/46/493805246.db2.gz ZSESUMNRKQIRCV-GOSISDBHSA-N 2 2 365.481 3.153 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108679 493822713 /nfs/dbraw/zinc/82/27/13/493822713.db2.gz ZGESRPNCPPMFGQ-UHFFFAOYSA-N 2 2 358.530 3.045 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108679 493822715 /nfs/dbraw/zinc/82/27/15/493822715.db2.gz ZGESRPNCPPMFGQ-UHFFFAOYSA-N 2 2 358.530 3.045 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725271 494241937 /nfs/dbraw/zinc/24/19/37/494241937.db2.gz NJKMHXZMIDAVKL-YOEHRIQHSA-N 2 2 362.905 3.345 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725271 494241941 /nfs/dbraw/zinc/24/19/41/494241941.db2.gz NJKMHXZMIDAVKL-YOEHRIQHSA-N 2 2 362.905 3.345 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725271 494241944 /nfs/dbraw/zinc/24/19/44/494241944.db2.gz NJKMHXZMIDAVKL-YOEHRIQHSA-N 2 2 362.905 3.345 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072725271 494241949 /nfs/dbraw/zinc/24/19/49/494241949.db2.gz NJKMHXZMIDAVKL-YOEHRIQHSA-N 2 2 362.905 3.345 20 30 FGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072974874 494295480 /nfs/dbraw/zinc/29/54/80/494295480.db2.gz KZQJWLAOTDJSJZ-AABGKKOBSA-N 2 2 374.573 3.304 20 30 FGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072974874 494295484 /nfs/dbraw/zinc/29/54/84/494295484.db2.gz KZQJWLAOTDJSJZ-AABGKKOBSA-N 2 2 374.573 3.304 20 30 FGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000072974874 494295486 /nfs/dbraw/zinc/29/54/86/494295486.db2.gz KZQJWLAOTDJSJZ-AABGKKOBSA-N 2 2 374.573 3.304 20 30 FGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000072974874 494295490 /nfs/dbraw/zinc/29/54/90/494295490.db2.gz KZQJWLAOTDJSJZ-AABGKKOBSA-N 2 2 374.573 3.304 20 30 FGEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccccc2)CC[N@@H+]1C ZINC000093643849 494907516 /nfs/dbraw/zinc/90/75/16/494907516.db2.gz FHFGLNHQGDNPOW-XLIONFOSSA-N 2 2 351.498 3.378 20 30 FGEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccccc2)CC[N@H+]1C ZINC000093643849 494907518 /nfs/dbraw/zinc/90/75/18/494907518.db2.gz FHFGLNHQGDNPOW-XLIONFOSSA-N 2 2 351.498 3.378 20 30 FGEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)CC[NH+]1C ZINC000093643849 494907521 /nfs/dbraw/zinc/90/75/21/494907521.db2.gz FHFGLNHQGDNPOW-XLIONFOSSA-N 2 2 351.498 3.378 20 30 FGEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)CC[NH+]1C ZINC000093643849 494907524 /nfs/dbraw/zinc/90/75/24/494907524.db2.gz FHFGLNHQGDNPOW-XLIONFOSSA-N 2 2 351.498 3.378 20 30 FGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1(C[NH+]3CCOCC3)CCCCC1)CC2 ZINC000577546858 505749493 /nfs/dbraw/zinc/74/94/93/505749493.db2.gz IGRGBRAWBLTASS-NRFANRHFSA-N 2 2 353.510 3.418 20 30 FGEDLP CC[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)[N@@H+]1CCc2ccccc2C1 ZINC000123227357 495099470 /nfs/dbraw/zinc/09/94/70/495099470.db2.gz AKGQZCNSHXKVBT-HXUWFJFHSA-N 2 2 359.477 3.132 20 30 FGEDLP CC[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)[N@H+]1CCc2ccccc2C1 ZINC000123227357 495099474 /nfs/dbraw/zinc/09/94/74/495099474.db2.gz AKGQZCNSHXKVBT-HXUWFJFHSA-N 2 2 359.477 3.132 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173644783 495631249 /nfs/dbraw/zinc/63/12/49/495631249.db2.gz KZJQUWFNFTXLSY-MOPGFXCFSA-N 2 2 356.514 3.128 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173644783 495631252 /nfs/dbraw/zinc/63/12/52/495631252.db2.gz KZJQUWFNFTXLSY-MOPGFXCFSA-N 2 2 356.514 3.128 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173644783 495631253 /nfs/dbraw/zinc/63/12/53/495631253.db2.gz KZJQUWFNFTXLSY-MOPGFXCFSA-N 2 2 356.514 3.128 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173644783 495631256 /nfs/dbraw/zinc/63/12/56/495631256.db2.gz KZJQUWFNFTXLSY-MOPGFXCFSA-N 2 2 356.514 3.128 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160069527 495876883 /nfs/dbraw/zinc/87/68/83/495876883.db2.gz SKYGZIBGUCUGFT-IBGZPJMESA-N 2 2 372.557 3.433 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160069527 495876888 /nfs/dbraw/zinc/87/68/88/495876888.db2.gz SKYGZIBGUCUGFT-IBGZPJMESA-N 2 2 372.557 3.433 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)cc1 ZINC000183270981 495910789 /nfs/dbraw/zinc/91/07/89/495910789.db2.gz NGCZPIDGOUWVCB-BDTNDASRSA-N 2 2 365.521 3.460 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156544936 496275261 /nfs/dbraw/zinc/27/52/61/496275261.db2.gz QKJVZYWQNNUDDB-GLJUWKHASA-N 2 2 371.872 3.318 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156544936 496275263 /nfs/dbraw/zinc/27/52/63/496275263.db2.gz QKJVZYWQNNUDDB-GLJUWKHASA-N 2 2 371.872 3.318 20 30 FGEDLP C[NH+](C)[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000181402788 496379290 /nfs/dbraw/zinc/37/92/90/496379290.db2.gz HDTZIUJYDIZDMW-HXUWFJFHSA-N 2 2 368.550 3.477 20 30 FGEDLP CN(C)[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000181402788 496379294 /nfs/dbraw/zinc/37/92/94/496379294.db2.gz HDTZIUJYDIZDMW-HXUWFJFHSA-N 2 2 368.550 3.477 20 30 FGEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C[NH+]1CCCCC1 ZINC000181539328 496437298 /nfs/dbraw/zinc/43/72/98/496437298.db2.gz ORGDPIWDZURSHH-IBGZPJMESA-N 3 2 354.542 3.234 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(CCO)CCCCC3)CC2)cc1 ZINC000181874404 496581426 /nfs/dbraw/zinc/58/14/26/496581426.db2.gz XUGBLVXXCZOVME-UHFFFAOYSA-N 2 2 355.526 3.445 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247099545 496778555 /nfs/dbraw/zinc/77/85/55/496778555.db2.gz OGROPHRRHYSAGQ-MAUKXSAKSA-N 2 2 374.916 3.489 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247099545 496778560 /nfs/dbraw/zinc/77/85/60/496778560.db2.gz OGROPHRRHYSAGQ-MAUKXSAKSA-N 2 2 374.916 3.489 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247113629 496782780 /nfs/dbraw/zinc/78/27/80/496782780.db2.gz VTXATVDPWYCQLJ-SJORKVTESA-N 2 2 374.554 3.293 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000247113629 496782784 /nfs/dbraw/zinc/78/27/84/496782784.db2.gz VTXATVDPWYCQLJ-SJORKVTESA-N 2 2 374.554 3.293 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000247113629 496782786 /nfs/dbraw/zinc/78/27/86/496782786.db2.gz VTXATVDPWYCQLJ-SJORKVTESA-N 2 2 374.554 3.293 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247113629 496782789 /nfs/dbraw/zinc/78/27/89/496782789.db2.gz VTXATVDPWYCQLJ-SJORKVTESA-N 2 2 374.554 3.293 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCn3cnc4ccccc43)CC2)cc1 ZINC000271863491 497473318 /nfs/dbraw/zinc/47/33/18/497473318.db2.gz KZOOESARNYNVCQ-UHFFFAOYSA-N 2 2 359.477 3.162 20 30 FGEDLP C[NH+]=C(NCCc1csc(C(C)C)n1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261953615 497482144 /nfs/dbraw/zinc/48/21/44/497482144.db2.gz IBZPBTUYVXJWPG-NVXWUHKLSA-N 2 2 374.558 3.164 20 30 FGEDLP Cc1ccc2nc(C[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)cn2c1 ZINC000271904037 497483925 /nfs/dbraw/zinc/48/39/25/497483925.db2.gz WDXMFWIUTFEPEH-UHFFFAOYSA-N 2 2 359.477 3.269 20 30 FGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000575062977 505912917 /nfs/dbraw/zinc/91/29/17/505912917.db2.gz FYJFJFOENDJQER-KRWDZBQOSA-N 2 2 365.437 3.379 20 30 FGEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c([N+](=O)[O-])c1 ZINC000575062977 505912921 /nfs/dbraw/zinc/91/29/21/505912921.db2.gz FYJFJFOENDJQER-KRWDZBQOSA-N 2 2 365.437 3.379 20 30 FGEDLP COCC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000272517336 497649628 /nfs/dbraw/zinc/64/96/28/497649628.db2.gz HIIVHNKJJJKFPY-HXUWFJFHSA-N 2 2 353.466 3.483 20 30 FGEDLP N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000246549327 497771378 /nfs/dbraw/zinc/77/13/78/497771378.db2.gz KHKNITCNWFXFPY-HKUYNNGSSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000246549327 497771387 /nfs/dbraw/zinc/77/13/87/497771387.db2.gz KHKNITCNWFXFPY-HKUYNNGSSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1ccc(-c2nnc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000246549327 497771392 /nfs/dbraw/zinc/77/13/92/497771392.db2.gz KHKNITCNWFXFPY-HKUYNNGSSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1ccc(-c2nnc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000246549327 497771399 /nfs/dbraw/zinc/77/13/99/497771399.db2.gz KHKNITCNWFXFPY-HKUYNNGSSA-N 2 2 363.465 3.057 20 30 FGEDLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000578426762 505936716 /nfs/dbraw/zinc/93/67/16/505936716.db2.gz DQFNRGMCIGMFIG-ZDUSSCGKSA-N 2 2 372.538 3.042 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293072051 498257771 /nfs/dbraw/zinc/25/77/71/498257771.db2.gz VMTNGIVECQNHJL-PXNSSMCTSA-N 2 2 361.555 3.069 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293072051 498257776 /nfs/dbraw/zinc/25/77/76/498257776.db2.gz VMTNGIVECQNHJL-PXNSSMCTSA-N 2 2 361.555 3.069 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293072051 498257780 /nfs/dbraw/zinc/25/77/80/498257780.db2.gz VMTNGIVECQNHJL-PXNSSMCTSA-N 2 2 361.555 3.069 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293072051 498257783 /nfs/dbraw/zinc/25/77/83/498257783.db2.gz VMTNGIVECQNHJL-PXNSSMCTSA-N 2 2 361.555 3.069 20 30 FGEDLP CCOC(CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)OCC ZINC000291048008 498772374 /nfs/dbraw/zinc/77/23/74/498772374.db2.gz HVJTZPKNSYFQNE-UHFFFAOYSA-N 2 2 359.514 3.292 20 30 FGEDLP CCc1ccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000287673525 498833400 /nfs/dbraw/zinc/83/34/00/498833400.db2.gz VWCIPYCPUFEVIT-QHCPKHFHSA-N 2 2 363.505 3.408 20 30 FGEDLP Cc1ccc(NC(=O)NC(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000328770800 498932540 /nfs/dbraw/zinc/93/25/40/498932540.db2.gz AHAHSHLYHZQVPJ-FQEVSTJZSA-N 2 2 358.486 3.210 20 30 FGEDLP Cc1ccc(NC(=O)NC(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000328770800 498932548 /nfs/dbraw/zinc/93/25/48/498932548.db2.gz AHAHSHLYHZQVPJ-FQEVSTJZSA-N 2 2 358.486 3.210 20 30 FGEDLP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1C ZINC000328770800 498932553 /nfs/dbraw/zinc/93/25/53/498932553.db2.gz AHAHSHLYHZQVPJ-FQEVSTJZSA-N 2 2 358.486 3.210 20 30 FGEDLP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1C ZINC000328770800 498932561 /nfs/dbraw/zinc/93/25/61/498932561.db2.gz AHAHSHLYHZQVPJ-FQEVSTJZSA-N 2 2 358.486 3.210 20 30 FGEDLP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C2([NH+]3CCOCC3)CCC2)cc1 ZINC000329093127 499039839 /nfs/dbraw/zinc/03/98/39/499039839.db2.gz KDTFPLRGBMABOJ-INIZCTEOSA-N 2 2 368.481 3.453 20 30 FGEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@@H](c3[nH]cc[nH+]3)C1)C2 ZINC000329240644 499081443 /nfs/dbraw/zinc/08/14/43/499081443.db2.gz RCHVFQFIQFECCI-CABCVRRESA-N 2 2 370.501 3.012 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCOc3cccc(C#N)c3)[C@@H](C)C2)s1 ZINC000364045661 499097659 /nfs/dbraw/zinc/09/76/59/499097659.db2.gz VYSFRKCQPOKRKJ-MGPUTAFESA-N 2 2 370.522 3.202 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCOc3cccc(C#N)c3)[C@@H](C)C2)s1 ZINC000364045661 499097665 /nfs/dbraw/zinc/09/76/65/499097665.db2.gz VYSFRKCQPOKRKJ-MGPUTAFESA-N 2 2 370.522 3.202 20 30 FGEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000369263126 499385176 /nfs/dbraw/zinc/38/51/76/499385176.db2.gz DDEXAJNJUCVDLG-SFHVURJKSA-N 2 2 351.454 3.154 20 30 FGEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000369263126 499385177 /nfs/dbraw/zinc/38/51/77/499385177.db2.gz DDEXAJNJUCVDLG-SFHVURJKSA-N 2 2 351.454 3.154 20 30 FGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000423523372 500381808 /nfs/dbraw/zinc/38/18/08/500381808.db2.gz IIAKBCXBNWZGOR-QFIPXVFZSA-N 3 2 360.505 3.129 20 30 FGEDLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000439458792 500899350 /nfs/dbraw/zinc/89/93/50/500899350.db2.gz UNGSKSXDODPGTQ-UHFFFAOYSA-N 2 2 360.933 3.202 20 30 FGEDLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000439458792 500899353 /nfs/dbraw/zinc/89/93/53/500899353.db2.gz UNGSKSXDODPGTQ-UHFFFAOYSA-N 2 2 360.933 3.202 20 30 FGEDLP C[N@H+](CCOc1cccc(C#N)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445360366 500977330 /nfs/dbraw/zinc/97/73/30/500977330.db2.gz ZYFUKWRAAACAPO-UHFFFAOYSA-N 2 2 355.404 3.286 20 30 FGEDLP C[N@@H+](CCOc1cccc(C#N)c1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445360366 500977333 /nfs/dbraw/zinc/97/73/33/500977333.db2.gz ZYFUKWRAAACAPO-UHFFFAOYSA-N 2 2 355.404 3.286 20 30 FGEDLP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000449392577 500992241 /nfs/dbraw/zinc/99/22/41/500992241.db2.gz JMHVPTMTZBNATF-HSZRJFAPSA-N 2 2 363.505 3.370 20 30 FGEDLP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449415138 500998548 /nfs/dbraw/zinc/99/85/48/500998548.db2.gz NIUPBVKOFNMRNS-RTWAWAEBSA-N 2 2 369.509 3.234 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000469859307 502572538 /nfs/dbraw/zinc/57/25/38/502572538.db2.gz BCPINLNPEOGCSI-GXTWGEPZSA-N 2 2 369.303 3.192 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000469859307 502572541 /nfs/dbraw/zinc/57/25/41/502572541.db2.gz BCPINLNPEOGCSI-GXTWGEPZSA-N 2 2 369.303 3.192 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481175464 502773074 /nfs/dbraw/zinc/77/30/74/502773074.db2.gz KHANMUJXKYOBMB-IRFCIJBXSA-N 2 2 357.542 3.300 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481175464 502773079 /nfs/dbraw/zinc/77/30/79/502773079.db2.gz KHANMUJXKYOBMB-IRFCIJBXSA-N 2 2 357.542 3.300 20 30 FGEDLP C=CCCc1ccccc1NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000505039950 502844198 /nfs/dbraw/zinc/84/41/98/502844198.db2.gz RREGWOVSQHMKHD-GOSISDBHSA-N 2 2 370.541 3.437 20 30 FGEDLP C=CCCc1ccccc1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000505039950 502844203 /nfs/dbraw/zinc/84/42/03/502844203.db2.gz RREGWOVSQHMKHD-GOSISDBHSA-N 2 2 370.541 3.437 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378745 503397998 /nfs/dbraw/zinc/39/79/98/503397998.db2.gz UDHWGCBGOFDYKL-ZWKOTPCHSA-N 2 2 358.530 3.212 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378745 503398000 /nfs/dbraw/zinc/39/80/00/503398000.db2.gz UDHWGCBGOFDYKL-ZWKOTPCHSA-N 2 2 358.530 3.212 20 30 FGEDLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C#N)cc1F ZINC000512293544 503512417 /nfs/dbraw/zinc/51/24/17/503512417.db2.gz FNPVXRNXCHBLHL-YOEHRIQHSA-N 2 2 353.445 3.406 20 30 FGEDLP C[N@@H+]1CCCC12CC[NH+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000541335029 504094917 /nfs/dbraw/zinc/09/49/17/504094917.db2.gz GYRLHRXGRXMEEQ-UHFFFAOYSA-N 2 2 352.400 3.497 20 30 FGEDLP C[N@H+]1CCCC12CC[NH+](CC#Cc1ccc(OC(F)(F)F)cc1)CC2 ZINC000541335029 504094922 /nfs/dbraw/zinc/09/49/22/504094922.db2.gz GYRLHRXGRXMEEQ-UHFFFAOYSA-N 2 2 352.400 3.497 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](CO)C3CCCCC3)CC2)cc1 ZINC000550275750 505010015 /nfs/dbraw/zinc/01/00/15/505010015.db2.gz DKLTXXFTLJTZFE-OAQYLSRUSA-N 2 2 355.526 3.301 20 30 FGEDLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000601099812 507261504 /nfs/dbraw/zinc/26/15/04/507261504.db2.gz ADVCODGQAHAUQC-GOSISDBHSA-N 2 2 365.477 3.120 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000182640364 705854513 /nfs/dbraw/zinc/85/45/13/705854513.db2.gz DQAMONNYXXUGHK-AEFFLSMTSA-N 2 2 351.535 3.405 20 30 FGEDLP Cc1nn(-c2ccccc2)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1C#N ZINC000091066589 494523271 /nfs/dbraw/zinc/52/32/71/494523271.db2.gz MQQIYIDBFVHYIU-UHFFFAOYSA-N 2 2 363.509 3.360 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796505 494919586 /nfs/dbraw/zinc/91/95/86/494919586.db2.gz WXBRKAYXCFAKHY-UHFFFAOYSA-N 2 2 356.495 3.437 20 30 FGEDLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000118970274 495061159 /nfs/dbraw/zinc/06/11/59/495061159.db2.gz QFTNHSZNXFIHGI-UHFFFAOYSA-N 2 2 364.493 3.387 20 30 FGEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000118970274 495061162 /nfs/dbraw/zinc/06/11/62/495061162.db2.gz QFTNHSZNXFIHGI-UHFFFAOYSA-N 2 2 364.493 3.387 20 30 FGEDLP C=C(C)C[NH+]1CCC(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000106295248 495443338 /nfs/dbraw/zinc/44/33/38/495443338.db2.gz ZJLZGGHXUWUPJO-UHFFFAOYSA-N 2 2 372.538 3.033 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181101201 496270610 /nfs/dbraw/zinc/27/06/10/496270610.db2.gz BYKRMQZTZYBJNF-IBGZPJMESA-N 2 2 367.497 3.157 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181101201 496270611 /nfs/dbraw/zinc/27/06/11/496270611.db2.gz BYKRMQZTZYBJNF-IBGZPJMESA-N 2 2 367.497 3.157 20 30 FGEDLP CC[N@H+](C[C@H](O)c1ccc(C#N)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000156595485 496289335 /nfs/dbraw/zinc/28/93/35/496289335.db2.gz GJTKGVRKOJDFRC-NRFANRHFSA-N 2 2 364.493 3.225 20 30 FGEDLP CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000156595485 496289341 /nfs/dbraw/zinc/28/93/41/496289341.db2.gz GJTKGVRKOJDFRC-NRFANRHFSA-N 2 2 364.493 3.225 20 30 FGEDLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181513585 496427336 /nfs/dbraw/zinc/42/73/36/496427336.db2.gz KTDGCRGWCJUGJU-PMACEKPBSA-N 3 2 368.569 3.480 20 30 FGEDLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000181582935 496456689 /nfs/dbraw/zinc/45/66/89/496456689.db2.gz MAKLHYAEFZTANC-SFHVURJKSA-N 2 2 365.477 3.120 20 30 FGEDLP CCC[NH+]1CCC(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181695669 496505958 /nfs/dbraw/zinc/50/59/58/496505958.db2.gz BBMGBORNTIIWNB-UHFFFAOYSA-N 3 2 354.542 3.234 20 30 FGEDLP Cc1nc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)sc1C ZINC000181909293 496595852 /nfs/dbraw/zinc/59/58/52/496595852.db2.gz HOBHUTKDPQIMLG-UHFFFAOYSA-N 2 2 354.523 3.428 20 30 FGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000274834504 497177571 /nfs/dbraw/zinc/17/75/71/497177571.db2.gz NDMXTRHURPNOSK-QAPCUYQASA-N 2 2 368.506 3.058 20 30 FGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000274834504 497177575 /nfs/dbraw/zinc/17/75/75/497177575.db2.gz NDMXTRHURPNOSK-QAPCUYQASA-N 2 2 368.506 3.058 20 30 FGEDLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C#N)c(F)c1 ZINC000271911729 497486384 /nfs/dbraw/zinc/48/63/84/497486384.db2.gz DVYFJAIUHZHLQO-INIZCTEOSA-N 2 2 353.441 3.380 20 30 FGEDLP CN(C(=O)c1cc(C#N)cs1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245687431 497502131 /nfs/dbraw/zinc/50/21/31/497502131.db2.gz ISRRPYKRIMQIRC-QZTJIDSGSA-N 2 2 374.554 3.029 20 30 FGEDLP CN(C(=O)c1cc(C#N)cs1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245687431 497502133 /nfs/dbraw/zinc/50/21/33/497502133.db2.gz ISRRPYKRIMQIRC-QZTJIDSGSA-N 2 2 374.554 3.029 20 30 FGEDLP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000329700152 497872860 /nfs/dbraw/zinc/87/28/60/497872860.db2.gz ZOKFGRKZHFQCEH-NVXWUHKLSA-N 2 2 360.502 3.278 20 30 FGEDLP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000329700152 497872867 /nfs/dbraw/zinc/87/28/67/497872867.db2.gz ZOKFGRKZHFQCEH-NVXWUHKLSA-N 2 2 360.502 3.278 20 30 FGEDLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000329789401 497901423 /nfs/dbraw/zinc/90/14/23/497901423.db2.gz BXQBAVJVKQGPTG-RTBURBONSA-N 2 2 371.529 3.045 20 30 FGEDLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000329789401 497901428 /nfs/dbraw/zinc/90/14/28/497901428.db2.gz BXQBAVJVKQGPTG-RTBURBONSA-N 2 2 371.529 3.045 20 30 FGEDLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H](C)O1 ZINC000329473828 499126417 /nfs/dbraw/zinc/12/64/17/499126417.db2.gz ORDWOBMSDRHHHS-ZACQAIPSSA-N 2 2 368.481 3.343 20 30 FGEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000370235629 499200470 /nfs/dbraw/zinc/20/04/70/499200470.db2.gz HITUQZCMBIJMST-RBUKOAKNSA-N 2 2 366.465 3.429 20 30 FGEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000370235629 499200471 /nfs/dbraw/zinc/20/04/71/499200471.db2.gz HITUQZCMBIJMST-RBUKOAKNSA-N 2 2 366.465 3.429 20 30 FGEDLP COc1cc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)ccc1C#N ZINC000369206230 499377202 /nfs/dbraw/zinc/37/72/02/499377202.db2.gz UZFYNZXHMBEUQV-UHFFFAOYSA-N 2 2 367.415 3.462 20 30 FGEDLP C[N@@H+]1CCC[C@H](C[NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000375469185 499522981 /nfs/dbraw/zinc/52/29/81/499522981.db2.gz LNZLDGDCCPUQND-DENIHFKCSA-N 2 2 362.477 3.169 20 30 FGEDLP C[N@H+]1CCC[C@H](C[NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000375469185 499522983 /nfs/dbraw/zinc/52/29/83/499522983.db2.gz LNZLDGDCCPUQND-DENIHFKCSA-N 2 2 362.477 3.169 20 30 FGEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(F)c1 ZINC000390910721 499556362 /nfs/dbraw/zinc/55/63/62/499556362.db2.gz WOZCKCLLSUGJRL-FQEVSTJZSA-N 2 2 353.441 3.078 20 30 FGEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(F)c1 ZINC000390910721 499556363 /nfs/dbraw/zinc/55/63/63/499556363.db2.gz WOZCKCLLSUGJRL-FQEVSTJZSA-N 2 2 353.441 3.078 20 30 FGEDLP C[C@@H](C#N)Oc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000377903960 499746912 /nfs/dbraw/zinc/74/69/12/499746912.db2.gz FEMCMHMNZXBTKX-SFHVURJKSA-N 2 2 364.493 3.469 20 30 FGEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000377903960 499746914 /nfs/dbraw/zinc/74/69/14/499746914.db2.gz FEMCMHMNZXBTKX-SFHVURJKSA-N 2 2 364.493 3.469 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@@H](C)[NH2+]CC)cc1OC ZINC000414967577 499849843 /nfs/dbraw/zinc/84/98/43/499849843.db2.gz XRDIEGQDTIZGSP-GFCCVEGCSA-N 2 2 357.292 3.110 20 30 FGEDLP C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000439437039 500897011 /nfs/dbraw/zinc/89/70/11/500897011.db2.gz JRLBHYADZOAPBH-NRFANRHFSA-N 2 2 369.896 3.280 20 30 FGEDLP C[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000439437039 500897013 /nfs/dbraw/zinc/89/70/13/500897013.db2.gz JRLBHYADZOAPBH-NRFANRHFSA-N 2 2 369.896 3.280 20 30 FGEDLP C[NH+](Cc1ccc(C#N)cc1Cl)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000439437039 500897015 /nfs/dbraw/zinc/89/70/15/500897015.db2.gz JRLBHYADZOAPBH-NRFANRHFSA-N 2 2 369.896 3.280 20 30 FGEDLP C[NH+](Cc1ccc(C#N)cc1Cl)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000439437039 500897017 /nfs/dbraw/zinc/89/70/17/500897017.db2.gz JRLBHYADZOAPBH-NRFANRHFSA-N 2 2 369.896 3.280 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441389752 501132175 /nfs/dbraw/zinc/13/21/75/501132175.db2.gz VPFHHHQSLWAFAV-TZIWHRDSSA-N 2 2 366.509 3.420 20 30 FGEDLP COc1cc(C#N)ccc1C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452115574 501437864 /nfs/dbraw/zinc/43/78/64/501437864.db2.gz KQIOLEVNDYLEQD-UHFFFAOYSA-N 2 2 355.404 3.415 20 30 FGEDLP COc1cc(C#N)ccc1C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452115574 501437866 /nfs/dbraw/zinc/43/78/66/501437866.db2.gz KQIOLEVNDYLEQD-UHFFFAOYSA-N 2 2 355.404 3.415 20 30 FGEDLP COc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000459703604 501701373 /nfs/dbraw/zinc/70/13/73/501701373.db2.gz PBBTVQHJFGGADS-NRFANRHFSA-N 2 2 361.489 3.288 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000478032932 501860241 /nfs/dbraw/zinc/86/02/41/501860241.db2.gz YTANUBGYJDALBV-QZTJIDSGSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000478032932 501860244 /nfs/dbraw/zinc/86/02/44/501860244.db2.gz YTANUBGYJDALBV-QZTJIDSGSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000478032932 501860249 /nfs/dbraw/zinc/86/02/49/501860249.db2.gz YTANUBGYJDALBV-QZTJIDSGSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000478032932 501860251 /nfs/dbraw/zinc/86/02/51/501860251.db2.gz YTANUBGYJDALBV-QZTJIDSGSA-N 2 2 363.571 3.315 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000468487316 502077639 /nfs/dbraw/zinc/07/76/39/502077639.db2.gz HHDFEQQYNZEMMF-OAHLLOKOSA-N 2 2 359.433 3.407 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000468487316 502077644 /nfs/dbraw/zinc/07/76/44/502077644.db2.gz HHDFEQQYNZEMMF-OAHLLOKOSA-N 2 2 359.433 3.407 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469740796 502527207 /nfs/dbraw/zinc/52/72/07/502527207.db2.gz ANTPLKONFRCBJJ-GUYCJALGSA-N 2 2 370.840 3.087 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469740796 502527209 /nfs/dbraw/zinc/52/72/09/502527209.db2.gz ANTPLKONFRCBJJ-GUYCJALGSA-N 2 2 370.840 3.087 20 30 FGEDLP C=CCOc1ccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)cc1 ZINC000505751730 502978299 /nfs/dbraw/zinc/97/82/99/502978299.db2.gz WGVIHUGKVNYLDS-UHFFFAOYSA-N 2 2 358.405 3.387 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000498358838 503167203 /nfs/dbraw/zinc/16/72/03/503167203.db2.gz HXLALTJGGDUTTK-HXUWFJFHSA-N 2 2 352.482 3.301 20 30 FGEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)cc1F ZINC000512668880 503607965 /nfs/dbraw/zinc/60/79/65/503607965.db2.gz WZIJRBYJNMCFTH-DKZVUGQWSA-N 2 2 367.468 3.231 20 30 FGEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)cc1F ZINC000512668880 503607967 /nfs/dbraw/zinc/60/79/67/503607967.db2.gz WZIJRBYJNMCFTH-DKZVUGQWSA-N 2 2 367.468 3.231 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccn(-c4ccccc4)n3)CC2)cc1 ZINC000537296041 503871983 /nfs/dbraw/zinc/87/19/83/503871983.db2.gz QWWQLZSVUPSZIA-UHFFFAOYSA-N 2 2 371.488 3.498 20 30 FGEDLP N#Cc1ccc(-c2nnc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)o2)cc1 ZINC000535574492 504475444 /nfs/dbraw/zinc/47/54/44/504475444.db2.gz ACOMSLDLCQQQKG-UHFFFAOYSA-N 2 2 360.421 3.080 20 30 FGEDLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000599662094 506563274 /nfs/dbraw/zinc/56/32/74/506563274.db2.gz YGIROEYALSMKFA-NRFANRHFSA-N 2 2 365.477 3.356 20 30 FGEDLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000599662094 506563279 /nfs/dbraw/zinc/56/32/79/506563279.db2.gz YGIROEYALSMKFA-NRFANRHFSA-N 2 2 365.477 3.356 20 30 FGEDLP N#CCc1cccc2c1CC[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000599676920 506572602 /nfs/dbraw/zinc/57/26/02/506572602.db2.gz CSAMOCOTVPPYGU-UHFFFAOYSA-N 2 2 361.489 3.143 20 30 FGEDLP N#CCc1cccc2c1CC[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000599676920 506572606 /nfs/dbraw/zinc/57/26/06/506572606.db2.gz CSAMOCOTVPPYGU-UHFFFAOYSA-N 2 2 361.489 3.143 20 30 FGEDLP N#Cc1ccsc1NC(=O)CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000583104724 506591474 /nfs/dbraw/zinc/59/14/74/506591474.db2.gz CPWVXFWVASFSAW-UHFFFAOYSA-N 2 2 371.510 3.337 20 30 FGEDLP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]2CCCO[C@H]21 ZINC000593721418 506747360 /nfs/dbraw/zinc/74/73/60/506747360.db2.gz LRDZIMDTXPDSLF-NJDAHSKKSA-N 2 2 353.510 3.316 20 30 FGEDLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(C(C)(C)C#N)cc3)[nH+]c2)C1 ZINC000593945448 506841911 /nfs/dbraw/zinc/84/19/11/506841911.db2.gz NEIOJXDTHIJFRS-HXUWFJFHSA-N 2 2 363.509 3.057 20 30 FGEDLP CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000597242878 506856491 /nfs/dbraw/zinc/85/64/91/506856491.db2.gz XFLMHPVJQDWSLS-UNMCSNQZSA-N 2 2 369.509 3.234 20 30 FGEDLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000600722507 507082003 /nfs/dbraw/zinc/08/20/03/507082003.db2.gz QRTJMOPEEAABNB-XLIONFOSSA-N 2 2 367.493 3.017 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccc4c[nH]nc4c3)CC2)cc1 ZINC000585765585 507620458 /nfs/dbraw/zinc/62/04/58/507620458.db2.gz XHALXADVJMYIDC-UHFFFAOYSA-N 2 2 359.477 3.231 20 30 FGEDLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000595904939 507735962 /nfs/dbraw/zinc/73/59/62/507735962.db2.gz GRGKJTLLGHKSNX-MRXNPFEDSA-N 2 2 355.404 3.120 20 30 FGEDLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000595904939 507735967 /nfs/dbraw/zinc/73/59/67/507735967.db2.gz GRGKJTLLGHKSNX-MRXNPFEDSA-N 2 2 355.404 3.120 20 30 FGEDLP C#CCOc1ccc(Br)cc1C[NH2+]CCC[NH+](CC)CC ZINC000041635124 695764870 /nfs/dbraw/zinc/76/48/70/695764870.db2.gz NLANZCRFDPOGNQ-UHFFFAOYSA-N 2 2 353.304 3.283 20 30 FGEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NCc1ccccc1OC)c1ccsc1 ZINC000170912861 705366217 /nfs/dbraw/zinc/36/62/17/705366217.db2.gz HXBLSSYCDSKCMX-QGZVFWFLSA-N 2 2 360.527 3.244 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000635000160 717139219 /nfs/dbraw/zinc/13/92/19/717139219.db2.gz IEWPJWMNBVJJFR-TZMCWYRMSA-N 2 2 369.303 3.049 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000635000160 717139223 /nfs/dbraw/zinc/13/92/23/717139223.db2.gz IEWPJWMNBVJJFR-TZMCWYRMSA-N 2 2 369.303 3.049 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+](C)CC(C)C)c1=S ZINC000744151464 722573927 /nfs/dbraw/zinc/57/39/27/722573927.db2.gz DBOUFFNOFOPCMS-UHFFFAOYSA-N 2 2 351.564 3.174 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+](C)CC(C)C)c1=S ZINC000744151464 722573928 /nfs/dbraw/zinc/57/39/28/722573928.db2.gz DBOUFFNOFOPCMS-UHFFFAOYSA-N 2 2 351.564 3.174 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000834571420 729815295 /nfs/dbraw/zinc/81/52/95/729815295.db2.gz SVVUXKCRZGCZGP-QZTJIDSGSA-N 2 2 351.535 3.405 20 30 FGEDLP C[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328654505 210124059 /nfs/dbraw/zinc/12/40/59/210124059.db2.gz XNBTWEMECSESAC-LKUPVBHCSA-N 2 2 351.498 3.368 20 30 FGEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328654505 210124063 /nfs/dbraw/zinc/12/40/63/210124063.db2.gz XNBTWEMECSESAC-LKUPVBHCSA-N 2 2 351.498 3.368 20 30 FGEDLP C[C@H](c1ccc(C#N)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328654505 210124066 /nfs/dbraw/zinc/12/40/66/210124066.db2.gz XNBTWEMECSESAC-LKUPVBHCSA-N 2 2 351.498 3.368 20 30 FGEDLP C[C@H](c1ccc(C#N)cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328654505 210124069 /nfs/dbraw/zinc/12/40/69/210124069.db2.gz XNBTWEMECSESAC-LKUPVBHCSA-N 2 2 351.498 3.368 20 30 FGEDLP C=CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Cl)s1 ZINC000064507943 494130041 /nfs/dbraw/zinc/13/00/41/494130041.db2.gz BMWNMBQICVLUHB-UHFFFAOYSA-N 2 2 367.946 3.133 20 30 FGEDLP C=CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Cl)s1 ZINC000064507943 494130042 /nfs/dbraw/zinc/13/00/42/494130042.db2.gz BMWNMBQICVLUHB-UHFFFAOYSA-N 2 2 367.946 3.133 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)C(C)C ZINC000106533187 495463784 /nfs/dbraw/zinc/46/37/84/495463784.db2.gz YWQNZJCUEUZOOT-QZTJIDSGSA-N 2 2 359.518 3.345 20 30 FGEDLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)CC1 ZINC000154735617 495711185 /nfs/dbraw/zinc/71/11/85/495711185.db2.gz CNHJJKSLKHWIQX-HXUWFJFHSA-N 2 2 374.573 3.115 20 30 FGEDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)CC1 ZINC000154735617 495711191 /nfs/dbraw/zinc/71/11/91/495711191.db2.gz CNHJJKSLKHWIQX-HXUWFJFHSA-N 2 2 374.573 3.115 20 30 FGEDLP C[N@H+](CC#Cc1ccc(F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000155718881 496046464 /nfs/dbraw/zinc/04/64/64/496046464.db2.gz CVLDDEQONNZMQM-UHFFFAOYSA-N 2 2 351.469 3.211 20 30 FGEDLP C[N@@H+](CC#Cc1ccc(F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000155718881 496046471 /nfs/dbraw/zinc/04/64/71/496046471.db2.gz CVLDDEQONNZMQM-UHFFFAOYSA-N 2 2 351.469 3.211 20 30 FGEDLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000181612979 496470788 /nfs/dbraw/zinc/47/07/88/496470788.db2.gz KCOHJXUDBDVONN-GOSISDBHSA-N 2 2 365.477 3.120 20 30 FGEDLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(C#N)cc1 ZINC000181612675 496470921 /nfs/dbraw/zinc/47/09/21/496470921.db2.gz GBQKOEFHIOBNBJ-SFHVURJKSA-N 2 2 365.477 3.120 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC(=O)Nc3ccccc3)CC2)cc1 ZINC000181745146 496526869 /nfs/dbraw/zinc/52/68/69/496526869.db2.gz YUKRTCISMSYEQC-UHFFFAOYSA-N 2 2 362.477 3.141 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOc3ccc(Cl)cn3)CC2)cc1 ZINC000182016975 496636538 /nfs/dbraw/zinc/63/65/38/496636538.db2.gz RRNINXJNAMRMCB-UHFFFAOYSA-N 2 2 370.884 3.240 20 30 FGEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247088186 496776457 /nfs/dbraw/zinc/77/64/57/496776457.db2.gz NTNPXWIGFZFGJP-QHCGNWPDSA-N 2 2 374.573 3.256 20 30 FGEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247088186 496776461 /nfs/dbraw/zinc/77/64/61/496776461.db2.gz NTNPXWIGFZFGJP-QHCGNWPDSA-N 2 2 374.573 3.256 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000247151494 496793195 /nfs/dbraw/zinc/79/31/95/496793195.db2.gz XPOSXOKMQTVLGB-UXHICEINSA-N 2 2 370.541 3.212 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000247151494 496793200 /nfs/dbraw/zinc/79/32/00/496793200.db2.gz XPOSXOKMQTVLGB-UXHICEINSA-N 2 2 370.541 3.212 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000247151494 496793202 /nfs/dbraw/zinc/79/32/02/496793202.db2.gz XPOSXOKMQTVLGB-UXHICEINSA-N 2 2 370.541 3.212 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000247151494 496793206 /nfs/dbraw/zinc/79/32/06/496793206.db2.gz XPOSXOKMQTVLGB-UXHICEINSA-N 2 2 370.541 3.212 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3CCCC[N@@H+]3C3CC3)CC2)cc1 ZINC000278445161 497116384 /nfs/dbraw/zinc/11/63/84/497116384.db2.gz KUOHKXCCRKBOIR-JOCHJYFZSA-N 2 2 352.526 3.129 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3CCCC[N@H+]3C3CC3)CC2)cc1 ZINC000278445161 497116390 /nfs/dbraw/zinc/11/63/90/497116390.db2.gz KUOHKXCCRKBOIR-JOCHJYFZSA-N 2 2 352.526 3.129 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(CO)CC4(CCC4)C3)CC2)cc1 ZINC000278587221 497158147 /nfs/dbraw/zinc/15/81/47/497158147.db2.gz AIEWXYZALGGJEQ-UHFFFAOYSA-N 2 2 353.510 3.055 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245563659 497458690 /nfs/dbraw/zinc/45/86/90/497458690.db2.gz CZAXIDLGIZUVQB-VGEYWCCESA-N 2 2 371.529 3.085 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245563659 497458693 /nfs/dbraw/zinc/45/86/93/497458693.db2.gz CZAXIDLGIZUVQB-VGEYWCCESA-N 2 2 371.529 3.085 20 30 FGEDLP C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245923915 497572566 /nfs/dbraw/zinc/57/25/66/497572566.db2.gz HJPNRZYLPSLHCX-OXJNMPFZSA-N 2 2 360.465 3.238 20 30 FGEDLP C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000245923915 497572569 /nfs/dbraw/zinc/57/25/69/497572569.db2.gz HJPNRZYLPSLHCX-OXJNMPFZSA-N 2 2 360.465 3.238 20 30 FGEDLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](CC(=O)NC2CCCCCC2)C1 ZINC000329660044 497860273 /nfs/dbraw/zinc/86/02/73/497860273.db2.gz HZSICHDUMPMBLK-KRWDZBQOSA-N 2 2 360.502 3.280 20 30 FGEDLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](CC(=O)NC2CCCCCC2)C1 ZINC000329660044 497860278 /nfs/dbraw/zinc/86/02/78/497860278.db2.gz HZSICHDUMPMBLK-KRWDZBQOSA-N 2 2 360.502 3.280 20 30 FGEDLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000329761091 497892531 /nfs/dbraw/zinc/89/25/31/497892531.db2.gz RAXINCRXFTZUMQ-UHFFFAOYSA-N 2 2 356.426 3.039 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292996293 498227551 /nfs/dbraw/zinc/22/75/51/498227551.db2.gz OLDDESHXHJLEJN-UGKGYDQZSA-N 2 2 368.525 3.048 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292996293 498227561 /nfs/dbraw/zinc/22/75/61/498227561.db2.gz OLDDESHXHJLEJN-UGKGYDQZSA-N 2 2 368.525 3.048 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292996293 498227569 /nfs/dbraw/zinc/22/75/69/498227569.db2.gz OLDDESHXHJLEJN-UGKGYDQZSA-N 2 2 368.525 3.048 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292996293 498227576 /nfs/dbraw/zinc/22/75/76/498227576.db2.gz OLDDESHXHJLEJN-UGKGYDQZSA-N 2 2 368.525 3.048 20 30 FGEDLP COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282203260 498421733 /nfs/dbraw/zinc/42/17/33/498421733.db2.gz XJHZTISSZNGBFX-GOSISDBHSA-N 2 2 350.466 3.479 20 30 FGEDLP COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282203260 498421735 /nfs/dbraw/zinc/42/17/35/498421735.db2.gz XJHZTISSZNGBFX-GOSISDBHSA-N 2 2 350.466 3.479 20 30 FGEDLP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)c2)C[C@H](C)O1 ZINC000328933731 498990623 /nfs/dbraw/zinc/99/06/23/498990623.db2.gz DYQCVZBBBHNGGI-JZXOWHBKSA-N 2 2 368.481 3.343 20 30 FGEDLP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)c2)C[C@H](C)O1 ZINC000328933731 498990630 /nfs/dbraw/zinc/99/06/30/498990630.db2.gz DYQCVZBBBHNGGI-JZXOWHBKSA-N 2 2 368.481 3.343 20 30 FGEDLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(C)nn(C)c2C)C1 ZINC000329182027 499065680 /nfs/dbraw/zinc/06/56/80/499065680.db2.gz OWASKONVTLMHNM-CVEARBPZSA-N 2 2 358.490 3.109 20 30 FGEDLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)nn(C)c2C)C1 ZINC000329182027 499065686 /nfs/dbraw/zinc/06/56/86/499065686.db2.gz OWASKONVTLMHNM-CVEARBPZSA-N 2 2 358.490 3.109 20 30 FGEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000329459274 499124452 /nfs/dbraw/zinc/12/44/52/499124452.db2.gz OSYCXXHVHRBCKL-UHFFFAOYSA-N 2 2 367.497 3.237 20 30 FGEDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000329516061 499128759 /nfs/dbraw/zinc/12/87/59/499128759.db2.gz OUFVDXHQAGDTIN-PMACEKPBSA-N 2 2 374.573 3.258 20 30 FGEDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000329516061 499128760 /nfs/dbraw/zinc/12/87/60/499128760.db2.gz OUFVDXHQAGDTIN-PMACEKPBSA-N 2 2 374.573 3.258 20 30 FGEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000329516061 499128761 /nfs/dbraw/zinc/12/87/61/499128761.db2.gz OUFVDXHQAGDTIN-PMACEKPBSA-N 2 2 374.573 3.258 20 30 FGEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000329516061 499128762 /nfs/dbraw/zinc/12/87/62/499128762.db2.gz OUFVDXHQAGDTIN-PMACEKPBSA-N 2 2 374.573 3.258 20 30 FGEDLP N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]Cc2ccccc2Cn2cc[nH+]c2)O1 ZINC000378455407 499518760 /nfs/dbraw/zinc/51/87/60/499518760.db2.gz MWRYGNRNLXRCSA-CGXNFDGLSA-N 2 2 350.466 3.261 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@H](C[NH3+])CC(C)C)cc1OC ZINC000414837206 499836262 /nfs/dbraw/zinc/83/62/62/499836262.db2.gz JCAUOLZJFRDKAO-AWEZNQCLSA-N 2 2 371.319 3.486 20 30 FGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000602575693 506221595 /nfs/dbraw/zinc/22/15/95/506221595.db2.gz WRFHZVZFKPVDFO-ROUUACIJSA-N 2 2 356.514 3.296 20 30 FGEDLP C=CC(C)(C)CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000458988009 501572085 /nfs/dbraw/zinc/57/20/85/501572085.db2.gz NNKNGZUCPXNOSQ-RTBURBONSA-N 2 2 364.578 3.177 20 30 FGEDLP C=CC(C)(C)CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000458988009 501572088 /nfs/dbraw/zinc/57/20/88/501572088.db2.gz NNKNGZUCPXNOSQ-RTBURBONSA-N 2 2 364.578 3.177 20 30 FGEDLP N#C[C@H](c1cccc(Cl)c1)N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000471023430 501895038 /nfs/dbraw/zinc/89/50/38/501895038.db2.gz UWMWWGDJODPPIR-HXUWFJFHSA-N 2 2 360.933 3.398 20 30 FGEDLP CN(C(=O)CCCCCC#N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000588655869 506294053 /nfs/dbraw/zinc/29/40/53/506294053.db2.gz LGMQVFCFHCIZQM-PMACEKPBSA-N 2 2 362.562 3.256 20 30 FGEDLP CN(C(=O)CCCCCC#N)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000588655869 506294059 /nfs/dbraw/zinc/29/40/59/506294059.db2.gz LGMQVFCFHCIZQM-PMACEKPBSA-N 2 2 362.562 3.256 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1)C(C)C ZINC000476029513 502363302 /nfs/dbraw/zinc/36/33/02/502363302.db2.gz FVSWDLAURQLOJV-FQEVSTJZSA-N 2 2 354.498 3.310 20 30 FGEDLP C=CCCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000474077336 502800726 /nfs/dbraw/zinc/80/07/26/502800726.db2.gz FSXBNVBRBFQWAK-VQTJNVASSA-N 2 2 364.578 3.321 20 30 FGEDLP C=CCCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000474077336 502800729 /nfs/dbraw/zinc/80/07/29/502800729.db2.gz FSXBNVBRBFQWAK-VQTJNVASSA-N 2 2 364.578 3.321 20 30 FGEDLP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(C#N)cc1F ZINC000512671197 503608824 /nfs/dbraw/zinc/60/88/24/503608824.db2.gz DSUHYBYHJLAUIW-QGZVFWFLSA-N 2 2 366.484 3.296 20 30 FGEDLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(C#N)cc1F ZINC000512671197 503608825 /nfs/dbraw/zinc/60/88/25/503608825.db2.gz DSUHYBYHJLAUIW-QGZVFWFLSA-N 2 2 366.484 3.296 20 30 FGEDLP COC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1C#N ZINC000541599460 504194458 /nfs/dbraw/zinc/19/44/58/504194458.db2.gz NCPXDYAXJFGYTF-NVXWUHKLSA-N 2 2 355.482 3.087 20 30 FGEDLP COC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C#N ZINC000541599460 504194463 /nfs/dbraw/zinc/19/44/63/504194463.db2.gz NCPXDYAXJFGYTF-NVXWUHKLSA-N 2 2 355.482 3.087 20 30 FGEDLP C=CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000538954843 504428511 /nfs/dbraw/zinc/42/85/11/504428511.db2.gz UIHWYZQNVRDVTN-IBGZPJMESA-N 2 2 361.917 3.244 20 30 FGEDLP C=CC[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000538954843 504428516 /nfs/dbraw/zinc/42/85/16/504428516.db2.gz UIHWYZQNVRDVTN-IBGZPJMESA-N 2 2 361.917 3.244 20 30 FGEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1Cl ZINC000520208414 504436006 /nfs/dbraw/zinc/43/60/06/504436006.db2.gz SPQWEVREINRDSA-QGZVFWFLSA-N 2 2 352.906 3.351 20 30 FGEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1Cl ZINC000520208414 504436012 /nfs/dbraw/zinc/43/60/12/504436012.db2.gz SPQWEVREINRDSA-QGZVFWFLSA-N 2 2 352.906 3.351 20 30 FGEDLP Cc1nn(C(C)C)cc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593692567 506733905 /nfs/dbraw/zinc/73/39/05/506733905.db2.gz GAWLICXROFTQOQ-UHFFFAOYSA-N 2 2 351.498 3.398 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000594518519 507168013 /nfs/dbraw/zinc/16/80/13/507168013.db2.gz HFROKPQRPVMMRD-VXKWHMMOSA-N 2 2 352.526 3.129 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000594518519 507168017 /nfs/dbraw/zinc/16/80/17/507168017.db2.gz HFROKPQRPVMMRD-VXKWHMMOSA-N 2 2 352.526 3.129 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)c1 ZINC000601284611 507321559 /nfs/dbraw/zinc/32/15/59/507321559.db2.gz LJVSCBUVSBMEBI-ACRUOGEOSA-N 2 2 351.494 3.070 20 30 FGEDLP N#CCCn1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(-c2ccccc2)n1 ZINC000611268119 507592758 /nfs/dbraw/zinc/59/27/58/507592758.db2.gz OVOGWKVHGDFMTK-FQEVSTJZSA-N 2 2 360.465 3.497 20 30 FGEDLP N#CCCn1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(-c2ccccc2)n1 ZINC000611268119 507592763 /nfs/dbraw/zinc/59/27/63/507592763.db2.gz OVOGWKVHGDFMTK-FQEVSTJZSA-N 2 2 360.465 3.497 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000160504842 705254685 /nfs/dbraw/zinc/25/46/85/705254685.db2.gz ALAZGIATIFYCJE-FUHWJXTLSA-N 2 2 351.535 3.405 20 30 FGEDLP [NH2+]=C(NCCCNc1cccc[nH+]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000170905270 705365809 /nfs/dbraw/zinc/36/58/09/705365809.db2.gz ZKVXGAHBTSVSAS-UHFFFAOYSA-N 2 2 353.348 3.209 20 30 FGEDLP C[NH+]1CCC(CNc2nc(Cl)c(C#N)s2)([NH+]2CCCCC2)CC1 ZINC000804507957 724523809 /nfs/dbraw/zinc/52/38/09/724523809.db2.gz QAHVGDGWYYSAKH-UHFFFAOYSA-N 2 2 353.923 3.030 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)cc(OC)c2O)CC1 ZINC000848528178 731175490 /nfs/dbraw/zinc/17/54/90/731175490.db2.gz JOLCRGNPSXUWEH-LBPRGKRZSA-N 2 2 369.303 3.464 20 30 FGEDLP C=CC[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C ZINC000917069879 758173835 /nfs/dbraw/zinc/17/38/35/758173835.db2.gz ZALFDXWJUZTTSJ-LJQANCHMSA-N 2 2 363.933 3.490 20 30 FGEDLP C=CC[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C ZINC000917069879 758173849 /nfs/dbraw/zinc/17/38/49/758173849.db2.gz ZALFDXWJUZTTSJ-LJQANCHMSA-N 2 2 363.933 3.490 20 30 FGEDLP CCC[NH+]1CCC([N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000072630375 494220639 /nfs/dbraw/zinc/22/06/39/494220639.db2.gz LCOWLMJFYRBXMR-UHFFFAOYSA-N 2 2 370.541 3.356 20 30 FGEDLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 ZINC000072630375 494220642 /nfs/dbraw/zinc/22/06/42/494220642.db2.gz LCOWLMJFYRBXMR-UHFFFAOYSA-N 2 2 370.541 3.356 20 30 FGEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718251 494239455 /nfs/dbraw/zinc/23/94/55/494239455.db2.gz IDJHUDMIKLBAAS-QHCGNWPDSA-N 2 2 374.573 3.114 20 30 FGEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718251 494239458 /nfs/dbraw/zinc/23/94/58/494239458.db2.gz IDJHUDMIKLBAAS-QHCGNWPDSA-N 2 2 374.573 3.114 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244372 495053936 /nfs/dbraw/zinc/05/39/36/495053936.db2.gz XDIOVPYLSCDJJS-MRXNPFEDSA-N 2 2 358.511 3.185 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C(C)C ZINC000106533190 495464218 /nfs/dbraw/zinc/46/42/18/495464218.db2.gz YWQNZJCUEUZOOT-ROUUACIJSA-N 2 2 359.518 3.345 20 30 FGEDLP Cc1ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc1Oc1cc[nH+]cc1 ZINC000115345779 495493230 /nfs/dbraw/zinc/49/32/30/495493230.db2.gz CFYLCXRYDYWYPZ-UHFFFAOYSA-N 2 2 366.465 3.490 20 30 FGEDLP Cc1nnc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c(C#N)c1C ZINC000150877320 495665561 /nfs/dbraw/zinc/66/55/61/495665561.db2.gz FWSWMFLBSBGZBS-UHFFFAOYSA-N 2 2 364.497 3.487 20 30 FGEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180036308 495832755 /nfs/dbraw/zinc/83/27/55/495832755.db2.gz QSRNRKWZMVSGTP-UHFFFAOYSA-N 2 2 370.460 3.407 20 30 FGEDLP C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000180271853 495931200 /nfs/dbraw/zinc/93/12/00/495931200.db2.gz HJPNRZYLPSLHCX-JXFKEZNVSA-N 2 2 360.465 3.238 20 30 FGEDLP C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000180271853 495931204 /nfs/dbraw/zinc/93/12/04/495931204.db2.gz HJPNRZYLPSLHCX-JXFKEZNVSA-N 2 2 360.465 3.238 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000181429588 496391803 /nfs/dbraw/zinc/39/18/03/496391803.db2.gz YCLXBOWVRXBDCV-NRFANRHFSA-N 2 2 369.896 3.499 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3n3cccn3)CC2)cc1 ZINC000181846938 496569564 /nfs/dbraw/zinc/56/95/64/496569564.db2.gz WMKSEFSINQFMFA-FGZHOGPDSA-N 2 2 363.509 3.493 20 30 FGEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000191492965 496781860 /nfs/dbraw/zinc/78/18/60/496781860.db2.gz FSOYBDGOKUGVHM-UHFFFAOYSA-N 2 2 373.526 3.346 20 30 FGEDLP C[N@H+](Cc1ccc(C#N)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000192060293 496980912 /nfs/dbraw/zinc/98/09/12/496980912.db2.gz FRYOJLJPAFVJMJ-UHFFFAOYSA-N 2 2 352.457 3.231 20 30 FGEDLP C[N@@H+](Cc1ccc(C#N)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000192060293 496980916 /nfs/dbraw/zinc/98/09/16/496980916.db2.gz FRYOJLJPAFVJMJ-UHFFFAOYSA-N 2 2 352.457 3.231 20 30 FGEDLP CC1(C#N)CCC(Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)CC1 ZINC000578216865 505888884 /nfs/dbraw/zinc/88/88/84/505888884.db2.gz UFXBNNUOEYMTQT-UHFFFAOYSA-N 2 2 367.497 3.322 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266762917 497413733 /nfs/dbraw/zinc/41/37/33/497413733.db2.gz QPEIIRRAIHEFJV-HNNXBMFYSA-N 2 2 369.444 3.064 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245462608 497419149 /nfs/dbraw/zinc/41/91/49/497419149.db2.gz WZXYDFLIKVIVRR-UXHICEINSA-N 2 2 368.525 3.130 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245462608 497419152 /nfs/dbraw/zinc/41/91/52/497419152.db2.gz WZXYDFLIKVIVRR-UXHICEINSA-N 2 2 368.525 3.130 20 30 FGEDLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C#N)c(F)c1 ZINC000271911731 497486034 /nfs/dbraw/zinc/48/60/34/497486034.db2.gz DVYFJAIUHZHLQO-MRXNPFEDSA-N 2 2 353.441 3.380 20 30 FGEDLP [NH2+]=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)Nc1ccccn1 ZINC000262021089 497494415 /nfs/dbraw/zinc/49/44/15/497494415.db2.gz XUNCDVPPEFFZKL-OAHLLOKOSA-N 2 2 361.852 3.438 20 30 FGEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000245976940 497588532 /nfs/dbraw/zinc/58/85/32/497588532.db2.gz XESXODBTZDBJFK-FUHWJXTLSA-N 2 2 352.400 3.353 20 30 FGEDLP C[N@H+]1CCC[C@H]2C[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000245976940 497588534 /nfs/dbraw/zinc/58/85/34/497588534.db2.gz XESXODBTZDBJFK-FUHWJXTLSA-N 2 2 352.400 3.353 20 30 FGEDLP C[NH+]1CCC[C@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000245976940 497588537 /nfs/dbraw/zinc/58/85/37/497588537.db2.gz XESXODBTZDBJFK-FUHWJXTLSA-N 2 2 352.400 3.353 20 30 FGEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000245976940 497588541 /nfs/dbraw/zinc/58/85/41/497588541.db2.gz XESXODBTZDBJFK-FUHWJXTLSA-N 2 2 352.400 3.353 20 30 FGEDLP N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000246509880 497758755 /nfs/dbraw/zinc/75/87/55/497758755.db2.gz IETJMUXCZQZXND-HNAYVOBHSA-N 2 2 372.900 3.099 20 30 FGEDLP N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000246509880 497758759 /nfs/dbraw/zinc/75/87/59/497758759.db2.gz IETJMUXCZQZXND-HNAYVOBHSA-N 2 2 372.900 3.099 20 30 FGEDLP N#Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000246509880 497758763 /nfs/dbraw/zinc/75/87/63/497758763.db2.gz IETJMUXCZQZXND-HNAYVOBHSA-N 2 2 372.900 3.099 20 30 FGEDLP N#Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000246509880 497758770 /nfs/dbraw/zinc/75/87/70/497758770.db2.gz IETJMUXCZQZXND-HNAYVOBHSA-N 2 2 372.900 3.099 20 30 FGEDLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](CC(=O)NC2CCCCCC2)C1 ZINC000329660045 497860371 /nfs/dbraw/zinc/86/03/71/497860371.db2.gz HZSICHDUMPMBLK-QGZVFWFLSA-N 2 2 360.502 3.280 20 30 FGEDLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](CC(=O)NC2CCCCCC2)C1 ZINC000329660045 497860378 /nfs/dbraw/zinc/86/03/78/497860378.db2.gz HZSICHDUMPMBLK-QGZVFWFLSA-N 2 2 360.502 3.280 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285469952 498096747 /nfs/dbraw/zinc/09/67/47/498096747.db2.gz KJIHQRYTBCQHTF-SJPCQFCGSA-N 2 2 359.539 3.460 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285469952 498096769 /nfs/dbraw/zinc/09/67/69/498096769.db2.gz KJIHQRYTBCQHTF-SJPCQFCGSA-N 2 2 359.539 3.460 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285469952 498096743 /nfs/dbraw/zinc/09/67/43/498096743.db2.gz KJIHQRYTBCQHTF-SJPCQFCGSA-N 2 2 359.539 3.460 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285469952 498096759 /nfs/dbraw/zinc/09/67/59/498096759.db2.gz KJIHQRYTBCQHTF-SJPCQFCGSA-N 2 2 359.539 3.460 20 30 FGEDLP C[C@H](C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000330334785 498108652 /nfs/dbraw/zinc/10/86/52/498108652.db2.gz QZCULWQJQMOIDG-XFQXTVEOSA-N 2 2 368.481 3.044 20 30 FGEDLP C[C@H](C(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)[N@H+]1CCc2ccccc2C1 ZINC000330334785 498108660 /nfs/dbraw/zinc/10/86/60/498108660.db2.gz QZCULWQJQMOIDG-XFQXTVEOSA-N 2 2 368.481 3.044 20 30 FGEDLP N#CCOc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000362019910 498454250 /nfs/dbraw/zinc/45/42/50/498454250.db2.gz GHAYJPFFHGGZPI-UHFFFAOYSA-N 2 2 353.441 3.482 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3OCCc4ccccc43)CC2)cc1 ZINC000362041324 498456928 /nfs/dbraw/zinc/45/69/28/498456928.db2.gz RQTYATIGHGLLQN-QHCPKHFHSA-N 2 2 361.489 3.426 20 30 FGEDLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[NH+](CC3CCCCC3)CC1)CCC2 ZINC000328655165 498891527 /nfs/dbraw/zinc/89/15/27/498891527.db2.gz MNNDMGLEVBPWKM-LJQANCHMSA-N 2 2 373.545 3.181 20 30 FGEDLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)ccc1C#N ZINC000366928217 499117655 /nfs/dbraw/zinc/11/76/55/499117655.db2.gz RXQZWLSIVYVASU-LIRRHRJNSA-N 2 2 370.522 3.332 20 30 FGEDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2C)ccc1C#N ZINC000366928217 499117658 /nfs/dbraw/zinc/11/76/58/499117658.db2.gz RXQZWLSIVYVASU-LIRRHRJNSA-N 2 2 370.522 3.332 20 30 FGEDLP C[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[NH+]1CCOCC1 ZINC000329432882 499120859 /nfs/dbraw/zinc/12/08/59/499120859.db2.gz IUXDXSMYNYXAFZ-AEFFLSMTSA-N 2 2 374.529 3.170 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCOc3ccc(C#N)cc3)[C@H](C)C2)s1 ZINC000372732737 499167669 /nfs/dbraw/zinc/16/76/69/499167669.db2.gz RHCXQADNBHJAJT-QRWLVFNGSA-N 2 2 370.522 3.202 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCOc3ccc(C#N)cc3)[C@H](C)C2)s1 ZINC000372732737 499167672 /nfs/dbraw/zinc/16/76/72/499167672.db2.gz RHCXQADNBHJAJT-QRWLVFNGSA-N 2 2 370.522 3.202 20 30 FGEDLP Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)c(C#N)c1C ZINC000369042603 499359749 /nfs/dbraw/zinc/35/97/49/499359749.db2.gz UPQWJTFNDSERRG-MRXNPFEDSA-N 2 2 369.469 3.364 20 30 FGEDLP Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)c(C#N)c1C ZINC000369042603 499359750 /nfs/dbraw/zinc/35/97/50/499359750.db2.gz UPQWJTFNDSERRG-MRXNPFEDSA-N 2 2 369.469 3.364 20 30 FGEDLP COc1cc(C#N)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375516178 499527479 /nfs/dbraw/zinc/52/74/79/499527479.db2.gz YMRBOCQDNXIBBF-IFXJQAMLSA-N 2 2 370.522 3.332 20 30 FGEDLP COc1cc(C#N)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375516178 499527481 /nfs/dbraw/zinc/52/74/81/499527481.db2.gz YMRBOCQDNXIBBF-IFXJQAMLSA-N 2 2 370.522 3.332 20 30 FGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000423523351 500381714 /nfs/dbraw/zinc/38/17/14/500381714.db2.gz IIAKBCXBNWZGOR-JOCHJYFZSA-N 3 2 360.505 3.129 20 30 FGEDLP C[C@H](CC1(C#N)CCOCC1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000602568332 506219772 /nfs/dbraw/zinc/21/97/72/506219772.db2.gz JTWSINMZYGMRTN-QGZVFWFLSA-N 2 2 371.529 3.123 20 30 FGEDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H](C#N)C3)CC2)cc1 ZINC000449521794 501023870 /nfs/dbraw/zinc/02/38/70/501023870.db2.gz HPAJLBSEDZOQGG-GHTZIAJQSA-N 2 2 354.498 3.281 20 30 FGEDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C#N)s3)CC2)cc1 ZINC000449523627 501024592 /nfs/dbraw/zinc/02/45/92/501024592.db2.gz MDVADEONBFVGRN-UHFFFAOYSA-N 2 2 368.506 3.332 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000464777742 502090244 /nfs/dbraw/zinc/09/02/44/502090244.db2.gz PBZYMGVOAQZVTN-QZTJIDSGSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000464777742 502090251 /nfs/dbraw/zinc/09/02/51/502090251.db2.gz PBZYMGVOAQZVTN-QZTJIDSGSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000464777744 502090719 /nfs/dbraw/zinc/09/07/19/502090719.db2.gz PBZYMGVOAQZVTN-ROUUACIJSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000464777744 502090722 /nfs/dbraw/zinc/09/07/22/502090722.db2.gz PBZYMGVOAQZVTN-ROUUACIJSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000472125661 502241147 /nfs/dbraw/zinc/24/11/47/502241147.db2.gz GOPRSEYFLGAXGH-KRWDZBQOSA-N 2 2 369.509 3.081 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483514143 502416941 /nfs/dbraw/zinc/41/69/41/502416941.db2.gz QSBIFYCVIUARFS-FGZHOGPDSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483514143 502416942 /nfs/dbraw/zinc/41/69/42/502416942.db2.gz QSBIFYCVIUARFS-FGZHOGPDSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483514143 502416949 /nfs/dbraw/zinc/41/69/49/502416949.db2.gz QSBIFYCVIUARFS-FGZHOGPDSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483514143 502416955 /nfs/dbraw/zinc/41/69/55/502416955.db2.gz QSBIFYCVIUARFS-FGZHOGPDSA-N 2 2 367.537 3.174 20 30 FGEDLP CC1(C)CCC[C@](O)(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000463274485 502742412 /nfs/dbraw/zinc/74/24/12/502742412.db2.gz FNKHSHKNEYTBEB-JOCHJYFZSA-N 2 2 355.526 3.444 20 30 FGEDLP C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000489451862 502962656 /nfs/dbraw/zinc/96/26/56/502962656.db2.gz ZSIJPDPMPQAMIZ-LJQANCHMSA-N 2 2 359.539 3.214 20 30 FGEDLP C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000489451862 502962660 /nfs/dbraw/zinc/96/26/60/502962660.db2.gz ZSIJPDPMPQAMIZ-LJQANCHMSA-N 2 2 359.539 3.214 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512287267 503510139 /nfs/dbraw/zinc/51/01/39/503510139.db2.gz SBTHGWIVRNTGHY-NFBKMPQASA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512287267 503510143 /nfs/dbraw/zinc/51/01/43/503510143.db2.gz SBTHGWIVRNTGHY-NFBKMPQASA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512287267 503510150 /nfs/dbraw/zinc/51/01/50/503510150.db2.gz SBTHGWIVRNTGHY-NFBKMPQASA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512287267 503510154 /nfs/dbraw/zinc/51/01/54/503510154.db2.gz SBTHGWIVRNTGHY-NFBKMPQASA-N 2 2 369.553 3.398 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000533295901 503794581 /nfs/dbraw/zinc/79/45/81/503794581.db2.gz NDKHOHANLKFGBS-IAGOWNOFSA-N 2 2 374.554 3.150 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000533295901 503794586 /nfs/dbraw/zinc/79/45/86/503794586.db2.gz NDKHOHANLKFGBS-IAGOWNOFSA-N 2 2 374.554 3.150 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000533295901 503794589 /nfs/dbraw/zinc/79/45/89/503794589.db2.gz NDKHOHANLKFGBS-IAGOWNOFSA-N 2 2 374.554 3.150 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000533295901 503794593 /nfs/dbraw/zinc/79/45/93/503794593.db2.gz NDKHOHANLKFGBS-IAGOWNOFSA-N 2 2 374.554 3.150 20 30 FGEDLP CSc1cc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000540595597 503827834 /nfs/dbraw/zinc/82/78/34/503827834.db2.gz CCCIDJAZUWXIAD-UHFFFAOYSA-N 2 2 352.507 3.429 20 30 FGEDLP C[C@H](c1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1)[NH+]1CCOCC1 ZINC000535835785 504560514 /nfs/dbraw/zinc/56/05/14/504560514.db2.gz ORHLJYJXDWRFIJ-MRXNPFEDSA-N 2 2 361.449 3.211 20 30 FGEDLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593323600 506541950 /nfs/dbraw/zinc/54/19/50/506541950.db2.gz QWKUQDYXFYFRKY-MRXNPFEDSA-N 3 2 363.509 3.036 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](C3CC3)[C@@H]3CCCCO3)CC2)cc1 ZINC000594507471 507161133 /nfs/dbraw/zinc/16/11/33/507161133.db2.gz CYDXZXMRSJYXHL-VXKWHMMOSA-N 2 2 353.510 3.460 20 30 FGEDLP C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000602004354 507549667 /nfs/dbraw/zinc/54/96/67/507549667.db2.gz UYBSJMPVRMBIKU-HNNXBMFYSA-N 2 2 370.447 3.439 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000160504575 705254867 /nfs/dbraw/zinc/25/48/67/705254867.db2.gz ALAZGIATIFYCJE-WMZOPIPTSA-N 2 2 351.535 3.405 20 30 FGEDLP COc1ccc(NC(=[NH2+])NC[C@@H](c2cccs2)[NH+](C)C)cc1Cl ZINC000303777566 713788440 /nfs/dbraw/zinc/78/84/40/713788440.db2.gz IYCBZFKIWFOCTL-ZDUSSCGKSA-N 2 2 352.891 3.440 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000525695873 714368468 /nfs/dbraw/zinc/36/84/68/714368468.db2.gz ICUZZGKBPBLLNW-UHFFFAOYSA-N 2 2 354.397 3.147 20 30 FGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000815652154 727088828 /nfs/dbraw/zinc/08/88/28/727088828.db2.gz RDWYBOLPZLQJCW-QGZVFWFLSA-N 2 2 362.539 3.009 20 30 FGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000815652154 727088832 /nfs/dbraw/zinc/08/88/32/727088832.db2.gz RDWYBOLPZLQJCW-QGZVFWFLSA-N 2 2 362.539 3.009 20 30 FGEDLP COc1ccc(C#N)cc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328648448 533268462 /nfs/dbraw/zinc/26/84/62/533268462.db2.gz UOJCFVCOBCUZNR-RXVVDRJESA-N 2 2 350.466 3.087 20 30 FGEDLP COc1ccc(C#N)cc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328648448 533268466 /nfs/dbraw/zinc/26/84/66/533268466.db2.gz UOJCFVCOBCUZNR-RXVVDRJESA-N 2 2 350.466 3.087 20 30 FGEDLP COc1ccc(C#N)cc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328648448 533268472 /nfs/dbraw/zinc/26/84/72/533268472.db2.gz UOJCFVCOBCUZNR-RXVVDRJESA-N 2 2 350.466 3.087 20 30 FGEDLP COc1ccc(C#N)cc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328648448 533268477 /nfs/dbraw/zinc/26/84/77/533268477.db2.gz UOJCFVCOBCUZNR-RXVVDRJESA-N 2 2 350.466 3.087 20 30 FGEDLP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1C#N ZINC000328637514 533540319 /nfs/dbraw/zinc/54/03/19/533540319.db2.gz ORCMMNNIMUUXQL-RXVVDRJESA-N 2 2 350.466 3.087 20 30 FGEDLP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1C#N ZINC000328637514 533540323 /nfs/dbraw/zinc/54/03/23/533540323.db2.gz ORCMMNNIMUUXQL-RXVVDRJESA-N 2 2 350.466 3.087 20 30 FGEDLP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1C#N ZINC000328637514 533540326 /nfs/dbraw/zinc/54/03/26/533540326.db2.gz ORCMMNNIMUUXQL-RXVVDRJESA-N 2 2 350.466 3.087 20 30 FGEDLP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1C#N ZINC000328637514 533540328 /nfs/dbraw/zinc/54/03/28/533540328.db2.gz ORCMMNNIMUUXQL-RXVVDRJESA-N 2 2 350.466 3.087 20 30 FGEDLP N#Cc1cccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000052713465 494056306 /nfs/dbraw/zinc/05/63/06/494056306.db2.gz PCYGIRUBSVSSGX-UHFFFAOYSA-N 2 2 354.498 3.085 20 30 FGEDLP C[NH+]1CCN(c2ccc(NCc3cccc(OCCCC#N)c3)[nH+]c2)CC1 ZINC000131586139 494666011 /nfs/dbraw/zinc/66/60/11/494666011.db2.gz BDHARHQTLGKTGS-UHFFFAOYSA-N 2 2 365.481 3.128 20 30 FGEDLP N#CCCn1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(-c2ccccc2)n1 ZINC000092648418 494693837 /nfs/dbraw/zinc/69/38/37/494693837.db2.gz JGBVAXYOCQJGTM-UHFFFAOYSA-N 2 2 360.465 3.497 20 30 FGEDLP COc1ccc(C[NH+]2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)cc1C#N ZINC000134975582 495233508 /nfs/dbraw/zinc/23/35/08/495233508.db2.gz LTIWNDBZSMILTC-UHFFFAOYSA-N 2 2 365.481 3.111 20 30 FGEDLP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129745970 495289638 /nfs/dbraw/zinc/28/96/38/495289638.db2.gz UEZBIDCFYQTEPW-KDOFPFPSSA-N 2 2 371.872 3.320 20 30 FGEDLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129745970 495289640 /nfs/dbraw/zinc/28/96/40/495289640.db2.gz UEZBIDCFYQTEPW-KDOFPFPSSA-N 2 2 371.872 3.320 20 30 FGEDLP Cn1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(-c2ccc(C#N)cc2)n1 ZINC000180122355 495867480 /nfs/dbraw/zinc/86/74/80/495867480.db2.gz QAZAGLNXJDBCSI-UHFFFAOYSA-N 2 2 368.444 3.434 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157023488 496388843 /nfs/dbraw/zinc/38/88/43/496388843.db2.gz AVNFYRRCKFDVOX-CTNGQTDRSA-N 2 2 357.542 3.396 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157023488 496388848 /nfs/dbraw/zinc/38/88/48/496388848.db2.gz AVNFYRRCKFDVOX-CTNGQTDRSA-N 2 2 357.542 3.396 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157023488 496388852 /nfs/dbraw/zinc/38/88/52/496388852.db2.gz AVNFYRRCKFDVOX-CTNGQTDRSA-N 2 2 357.542 3.396 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157023488 496388855 /nfs/dbraw/zinc/38/88/55/496388855.db2.gz AVNFYRRCKFDVOX-CTNGQTDRSA-N 2 2 357.542 3.396 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157454099 496480052 /nfs/dbraw/zinc/48/00/52/496480052.db2.gz VFKDEEYZSROHQC-PMACEKPBSA-N 2 2 368.525 3.272 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157454099 496480055 /nfs/dbraw/zinc/48/00/55/496480055.db2.gz VFKDEEYZSROHQC-PMACEKPBSA-N 2 2 368.525 3.272 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCCNc3cccc[nH+]3)CC2)cc1 ZINC000181672504 496497187 /nfs/dbraw/zinc/49/71/87/496497187.db2.gz AVOUKBQRUNMCRG-UHFFFAOYSA-N 3 2 363.509 3.400 20 30 FGEDLP N#Cc1ccc(CN2CCC([NH2+]CCCCNc3cccc[nH+]3)CC2)cc1 ZINC000181672504 496497189 /nfs/dbraw/zinc/49/71/89/496497189.db2.gz AVOUKBQRUNMCRG-UHFFFAOYSA-N 2 2 363.509 3.400 20 30 FGEDLP C[C@H](CCc1cccn1C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181824335 496560025 /nfs/dbraw/zinc/56/00/25/496560025.db2.gz OYWAXQDINRTBBT-GOSISDBHSA-N 2 2 350.510 3.472 20 30 FGEDLP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000182082159 496662335 /nfs/dbraw/zinc/66/23/35/496662335.db2.gz OITKUIXQNXKUOA-QFIPXVFZSA-N 2 2 367.468 3.159 20 30 FGEDLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000247243335 496814379 /nfs/dbraw/zinc/81/43/79/496814379.db2.gz DODIPSBPFOOYKJ-QZTJIDSGSA-N 2 2 374.504 3.125 20 30 FGEDLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000247243335 496814386 /nfs/dbraw/zinc/81/43/86/496814386.db2.gz DODIPSBPFOOYKJ-QZTJIDSGSA-N 2 2 374.504 3.125 20 30 FGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1CO)CC2 ZINC000569175500 505869549 /nfs/dbraw/zinc/86/95/49/505869549.db2.gz NPORLZOLEXTOLI-YMPZKCBVSA-N 2 2 361.489 3.018 20 30 FGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1CO)CC2 ZINC000569175500 505869551 /nfs/dbraw/zinc/86/95/51/505869551.db2.gz NPORLZOLEXTOLI-YMPZKCBVSA-N 2 2 361.489 3.018 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266953195 497455017 /nfs/dbraw/zinc/45/50/17/497455017.db2.gz VAJYUQRTLSELCJ-ROUUACIJSA-N 2 2 365.481 3.233 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266953195 497455020 /nfs/dbraw/zinc/45/50/20/497455020.db2.gz VAJYUQRTLSELCJ-ROUUACIJSA-N 2 2 365.481 3.233 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246765986 497809173 /nfs/dbraw/zinc/80/91/73/497809173.db2.gz NXYCMJLHGZRNFC-GVDBMIGSSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246765986 497809174 /nfs/dbraw/zinc/80/91/74/497809174.db2.gz NXYCMJLHGZRNFC-GVDBMIGSSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246765986 497809175 /nfs/dbraw/zinc/80/91/75/497809175.db2.gz NXYCMJLHGZRNFC-GVDBMIGSSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246765986 497809176 /nfs/dbraw/zinc/80/91/76/497809176.db2.gz NXYCMJLHGZRNFC-GVDBMIGSSA-N 2 2 374.554 3.434 20 30 FGEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246936361 497821166 /nfs/dbraw/zinc/82/11/66/497821166.db2.gz INFIAYZFRHQGIV-AUSIDOKSSA-N 2 2 363.505 3.484 20 30 FGEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246936361 497821167 /nfs/dbraw/zinc/82/11/67/497821167.db2.gz INFIAYZFRHQGIV-AUSIDOKSSA-N 2 2 363.505 3.484 20 30 FGEDLP C[C@H]([NH2+]CC(=O)Nc1nc2c(s1)CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329673355 497865076 /nfs/dbraw/zinc/86/50/76/497865076.db2.gz NZXDUALLJFPTQY-KBPBESRZSA-N 2 2 362.543 3.462 20 30 FGEDLP C[C@H]([NH2+]CC(=O)Nc1nc2c(s1)CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329673355 497865080 /nfs/dbraw/zinc/86/50/80/497865080.db2.gz NZXDUALLJFPTQY-KBPBESRZSA-N 2 2 362.543 3.462 20 30 FGEDLP Cc1cc(N2CCC([N@H+](C)Cc3cc(C#N)n(C)c3)CC2)nc(C(C)C)[nH+]1 ZINC000364327898 497902313 /nfs/dbraw/zinc/90/23/13/497902313.db2.gz BJSFCTYHRNYRQM-UHFFFAOYSA-N 2 2 366.513 3.219 20 30 FGEDLP Cc1cc(N2CCC([N@@H+](C)Cc3cc(C#N)n(C)c3)CC2)nc(C(C)C)[nH+]1 ZINC000364327898 497902318 /nfs/dbraw/zinc/90/23/18/497902318.db2.gz BJSFCTYHRNYRQM-UHFFFAOYSA-N 2 2 366.513 3.219 20 30 FGEDLP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)CC1 ZINC000364350863 497914285 /nfs/dbraw/zinc/91/42/85/497914285.db2.gz DTWJRQIZVSBIAY-UHFFFAOYSA-N 2 2 360.933 3.061 20 30 FGEDLP C[NH+]1CCC[C@@H]1C(=O)Nc1cc(NC(=O)[C@@H]2CCC[N@H+]2C)c(F)cc1F ZINC000329946144 497965111 /nfs/dbraw/zinc/96/51/11/497965111.db2.gz JLUPKLLTLSJKDO-IYBDPMFKSA-N 2 2 366.412 3.329 20 30 FGEDLP C[NH+]1CCC[C@@H]1C(=O)Nc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C)c(F)cc1F ZINC000329946144 497965119 /nfs/dbraw/zinc/96/51/19/497965119.db2.gz JLUPKLLTLSJKDO-IYBDPMFKSA-N 2 2 366.412 3.329 20 30 FGEDLP C[NH+]1CCC[C@H]1C(=O)Nc1cc(NC(=O)[C@H]2CCC[N@@H+]2C)c(F)cc1F ZINC000329946144 497965129 /nfs/dbraw/zinc/96/51/29/497965129.db2.gz JLUPKLLTLSJKDO-IYBDPMFKSA-N 2 2 366.412 3.329 20 30 FGEDLP C[NH+]1CCC[C@H]1C(=O)Nc1cc(NC(=O)[C@H]2CCC[N@H+]2C)c(F)cc1F ZINC000329946144 497965134 /nfs/dbraw/zinc/96/51/34/497965134.db2.gz JLUPKLLTLSJKDO-IYBDPMFKSA-N 2 2 366.412 3.329 20 30 FGEDLP C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000330250213 498079464 /nfs/dbraw/zinc/07/94/64/498079464.db2.gz MWCSPBJYKNTIKR-PXAZEXFGSA-N 2 2 367.396 3.012 20 30 FGEDLP C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000330250213 498079468 /nfs/dbraw/zinc/07/94/68/498079468.db2.gz MWCSPBJYKNTIKR-PXAZEXFGSA-N 2 2 367.396 3.012 20 30 FGEDLP C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000330250213 498079473 /nfs/dbraw/zinc/07/94/73/498079473.db2.gz MWCSPBJYKNTIKR-PXAZEXFGSA-N 2 2 367.396 3.012 20 30 FGEDLP C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000330250213 498079476 /nfs/dbraw/zinc/07/94/76/498079476.db2.gz MWCSPBJYKNTIKR-PXAZEXFGSA-N 2 2 367.396 3.012 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)[C@H](C)C2)s1 ZINC000365323404 498405787 /nfs/dbraw/zinc/40/57/87/498405787.db2.gz KWLNBDUTTARQBE-YJYMSZOUSA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)[C@H](C)C2)s1 ZINC000365323404 498405794 /nfs/dbraw/zinc/40/57/94/498405794.db2.gz KWLNBDUTTARQBE-YJYMSZOUSA-N 2 2 358.486 3.463 20 30 FGEDLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000365476980 498486658 /nfs/dbraw/zinc/48/66/58/498486658.db2.gz NJARFHPSOOBRHX-XUWXXGDYSA-N 2 2 365.880 3.330 20 30 FGEDLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000365476980 498486664 /nfs/dbraw/zinc/48/66/64/498486664.db2.gz NJARFHPSOOBRHX-XUWXXGDYSA-N 2 2 365.880 3.330 20 30 FGEDLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)cc1C#N ZINC000363526021 498861149 /nfs/dbraw/zinc/86/11/49/498861149.db2.gz BHIUCNMFCIYKNQ-KUHUBIRLSA-N 2 2 370.522 3.332 20 30 FGEDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2C)cc1C#N ZINC000363526021 498861160 /nfs/dbraw/zinc/86/11/60/498861160.db2.gz BHIUCNMFCIYKNQ-KUHUBIRLSA-N 2 2 370.522 3.332 20 30 FGEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(F)ccc1C#N ZINC000372743953 499169400 /nfs/dbraw/zinc/16/94/00/499169400.db2.gz FKPFYRXXPHYMER-UHFFFAOYSA-N 3 2 372.532 3.325 20 30 FGEDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(F)ccc1C#N ZINC000372743953 499169403 /nfs/dbraw/zinc/16/94/03/499169403.db2.gz FKPFYRXXPHYMER-UHFFFAOYSA-N 3 2 372.532 3.325 20 30 FGEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(F)cc2C#N)[C@@H]1c1cnn(C)c1 ZINC000375276055 499501962 /nfs/dbraw/zinc/50/19/62/499501962.db2.gz QYPYFDWYCGLXBN-LAUBAEHRSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(F)cc2C#N)[C@@H]1c1cnn(C)c1 ZINC000375276055 499501963 /nfs/dbraw/zinc/50/19/63/499501963.db2.gz QYPYFDWYCGLXBN-LAUBAEHRSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(F)cc2C#N)[C@@H]1c1cnn(C)c1 ZINC000375276055 499501965 /nfs/dbraw/zinc/50/19/65/499501965.db2.gz QYPYFDWYCGLXBN-LAUBAEHRSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(F)cc2C#N)[C@@H]1c1cnn(C)c1 ZINC000375276055 499501968 /nfs/dbraw/zinc/50/19/68/499501968.db2.gz QYPYFDWYCGLXBN-LAUBAEHRSA-N 2 2 369.488 3.336 20 30 FGEDLP C[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000378496382 499524484 /nfs/dbraw/zinc/52/44/84/499524484.db2.gz NKUJGQVXFOJOQG-KRWDZBQOSA-N 2 2 363.509 3.407 20 30 FGEDLP C[C@H]1CCC[N@H+]1C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000378496382 499524485 /nfs/dbraw/zinc/52/44/85/499524485.db2.gz NKUJGQVXFOJOQG-KRWDZBQOSA-N 2 2 363.509 3.407 20 30 FGEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000375785278 499555494 /nfs/dbraw/zinc/55/54/94/499555494.db2.gz BCKJMWRBHFCVBO-ROUUACIJSA-N 2 2 371.529 3.375 20 30 FGEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000375785278 499555496 /nfs/dbraw/zinc/55/54/96/499555496.db2.gz BCKJMWRBHFCVBO-ROUUACIJSA-N 2 2 371.529 3.375 20 30 FGEDLP C=C(C)C[NH+]1CCC(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000425168976 500035805 /nfs/dbraw/zinc/03/58/05/500035805.db2.gz MWSIWMLNTLJFOP-IBGZPJMESA-N 2 2 352.482 3.088 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000429538198 500096393 /nfs/dbraw/zinc/09/63/93/500096393.db2.gz GVLLOYNXXWBLRL-PMACEKPBSA-N 2 2 370.541 3.355 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000429538198 500096395 /nfs/dbraw/zinc/09/63/95/500096395.db2.gz GVLLOYNXXWBLRL-PMACEKPBSA-N 2 2 370.541 3.355 20 30 FGEDLP C[N@H+](CC#Cc1ccccc1Cl)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940634 500214221 /nfs/dbraw/zinc/21/42/21/500214221.db2.gz XIUSHQLWTOWDTM-QFIPXVFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C[N@@H+](CC#Cc1ccccc1Cl)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940634 500214223 /nfs/dbraw/zinc/21/42/23/500214223.db2.gz XIUSHQLWTOWDTM-QFIPXVFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C[NH+](CC#Cc1ccccc1Cl)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425940634 500214225 /nfs/dbraw/zinc/21/42/25/500214225.db2.gz XIUSHQLWTOWDTM-QFIPXVFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C[NH+](CC#Cc1ccccc1Cl)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425940634 500214228 /nfs/dbraw/zinc/21/42/28/500214228.db2.gz XIUSHQLWTOWDTM-QFIPXVFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C=CCOc1cccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000428441794 500510565 /nfs/dbraw/zinc/51/05/65/500510565.db2.gz XNFGJMQZYQOEJI-QHCPKHFHSA-N 2 2 366.505 3.320 20 30 FGEDLP C=CCOc1cccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000428441794 500510567 /nfs/dbraw/zinc/51/05/67/500510567.db2.gz XNFGJMQZYQOEJI-QHCPKHFHSA-N 2 2 366.505 3.320 20 30 FGEDLP C=CCOc1cccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000428441794 500510571 /nfs/dbraw/zinc/51/05/71/500510571.db2.gz XNFGJMQZYQOEJI-QHCPKHFHSA-N 2 2 366.505 3.320 20 30 FGEDLP C=CCOc1cccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000428441794 500510575 /nfs/dbraw/zinc/51/05/75/500510575.db2.gz XNFGJMQZYQOEJI-QHCPKHFHSA-N 2 2 366.505 3.320 20 30 FGEDLP C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000489451861 502962506 /nfs/dbraw/zinc/96/25/06/502962506.db2.gz ZSIJPDPMPQAMIZ-IBGZPJMESA-N 2 2 359.539 3.214 20 30 FGEDLP C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000489451861 502962512 /nfs/dbraw/zinc/96/25/12/502962512.db2.gz ZSIJPDPMPQAMIZ-IBGZPJMESA-N 2 2 359.539 3.214 20 30 FGEDLP N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000513754502 503017022 /nfs/dbraw/zinc/01/70/22/503017022.db2.gz LRVLRCNSQFPAKA-JOCHJYFZSA-N 2 2 360.505 3.391 20 30 FGEDLP N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000513754502 503017025 /nfs/dbraw/zinc/01/70/25/503017025.db2.gz LRVLRCNSQFPAKA-JOCHJYFZSA-N 2 2 360.505 3.391 20 30 FGEDLP N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000492788060 503385130 /nfs/dbraw/zinc/38/51/30/503385130.db2.gz HLRBJBACEWZHKP-INIZCTEOSA-N 2 2 358.239 3.369 20 30 FGEDLP N#Cc1ccc(Br)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000492788060 503385133 /nfs/dbraw/zinc/38/51/33/503385133.db2.gz HLRBJBACEWZHKP-INIZCTEOSA-N 2 2 358.239 3.369 20 30 FGEDLP C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000554885481 505289807 /nfs/dbraw/zinc/28/98/07/505289807.db2.gz CCMFWWJDPGURCU-UHFFFAOYSA-N 2 2 352.463 3.454 20 30 FGEDLP C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000554885481 505289809 /nfs/dbraw/zinc/28/98/09/505289809.db2.gz CCMFWWJDPGURCU-UHFFFAOYSA-N 2 2 352.463 3.454 20 30 FGEDLP COc1cccc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593701915 506739529 /nfs/dbraw/zinc/73/95/29/506739529.db2.gz HLBROUZKRAEWKF-QGZVFWFLSA-N 2 2 364.493 3.147 20 30 FGEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1(C(=O)OC)CCC1 ZINC000593720580 506746855 /nfs/dbraw/zinc/74/68/55/506746855.db2.gz HWZOYPVYVHGTLC-HXUWFJFHSA-N 2 2 369.509 3.234 20 30 FGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cc2n(n1)CCCC2 ZINC000593725126 506748251 /nfs/dbraw/zinc/74/82/51/506748251.db2.gz KTISJPOENASGGQ-QGZVFWFLSA-N 2 2 363.509 3.406 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCc4cccnc4CC3)CC2)c1 ZINC000593724712 506748459 /nfs/dbraw/zinc/74/84/59/506748459.db2.gz HFZZLDSJTDHERG-OAQYLSRUSA-N 2 2 360.505 3.455 20 30 FGEDLP CC[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000609047640 506768729 /nfs/dbraw/zinc/76/87/29/506768729.db2.gz WMOSEKSFGCIFKT-XMSQKQJNSA-N 2 2 351.494 3.434 20 30 FGEDLP CC[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000609047640 506768733 /nfs/dbraw/zinc/76/87/33/506768733.db2.gz WMOSEKSFGCIFKT-XMSQKQJNSA-N 2 2 351.494 3.434 20 30 FGEDLP CC[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000609047640 506768740 /nfs/dbraw/zinc/76/87/40/506768740.db2.gz WMOSEKSFGCIFKT-XMSQKQJNSA-N 2 2 351.494 3.434 20 30 FGEDLP CC[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000609047640 506768745 /nfs/dbraw/zinc/76/87/45/506768745.db2.gz WMOSEKSFGCIFKT-XMSQKQJNSA-N 2 2 351.494 3.434 20 30 FGEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCc4cc(C#N)ccc43)c2cc1C ZINC000591763882 507352771 /nfs/dbraw/zinc/35/27/71/507352771.db2.gz PDYRVOXMCOIDMH-UYAOXDASSA-N 2 2 360.461 3.163 20 30 FGEDLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000611245240 507577323 /nfs/dbraw/zinc/57/73/23/507577323.db2.gz FTTPPRSMZMQMSS-HSZRJFAPSA-N 2 2 361.489 3.140 20 30 FGEDLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000611245240 507577330 /nfs/dbraw/zinc/57/73/30/507577330.db2.gz FTTPPRSMZMQMSS-HSZRJFAPSA-N 2 2 361.489 3.140 20 30 FGEDLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000611245240 507577335 /nfs/dbraw/zinc/57/73/35/507577335.db2.gz FTTPPRSMZMQMSS-HSZRJFAPSA-N 2 2 361.489 3.140 20 30 FGEDLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000611245240 507577343 /nfs/dbraw/zinc/57/73/43/507577343.db2.gz FTTPPRSMZMQMSS-HSZRJFAPSA-N 2 2 361.489 3.140 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676476979 721806749 /nfs/dbraw/zinc/80/67/49/721806749.db2.gz DFCXZUBSZRSRAE-SJORKVTESA-N 2 2 358.511 3.185 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676476979 721806750 /nfs/dbraw/zinc/80/67/50/721806750.db2.gz DFCXZUBSZRSRAE-SJORKVTESA-N 2 2 358.511 3.185 20 30 FGEDLP CC(C)[NH+]1CCN(C2CC[NH+](CC#Cc3ccccc3Cl)CC2)CC1 ZINC000677738121 721913338 /nfs/dbraw/zinc/91/33/38/721913338.db2.gz MHKWUUXNWITZEG-UHFFFAOYSA-N 2 2 359.945 3.182 20 30 FGEDLP C#CC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000766244358 723564272 /nfs/dbraw/zinc/56/42/72/723564272.db2.gz USKSNWBENWXOJK-KRWDZBQOSA-N 2 2 374.282 3.413 20 30 FGEDLP C#CC[N@H+](CCn1cc[nH+]c1C)[C@H]1CCOc2ccc(Br)cc21 ZINC000766244358 723564276 /nfs/dbraw/zinc/56/42/76/723564276.db2.gz USKSNWBENWXOJK-KRWDZBQOSA-N 2 2 374.282 3.413 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)CC2)cc1 ZINC000776168549 724115225 /nfs/dbraw/zinc/11/52/25/724115225.db2.gz CQMUETJEWOJMOL-AABGKKOBSA-N 2 2 373.591 3.492 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)CC2)cc1 ZINC000776168608 724115265 /nfs/dbraw/zinc/11/52/65/724115265.db2.gz CQMUETJEWOJMOL-VAMGGRTRSA-N 2 2 373.591 3.492 20 30 FGEDLP C[NH+]=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)NC1CC1 ZINC000849050525 731224227 /nfs/dbraw/zinc/22/42/27/731224227.db2.gz VZMDQPRATRGSDY-SFHVURJKSA-N 2 2 354.523 3.175 20 30 FGEDLP C[NH+]=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)NC1CC1 ZINC000849050525 731224229 /nfs/dbraw/zinc/22/42/29/731224229.db2.gz VZMDQPRATRGSDY-SFHVURJKSA-N 2 2 354.523 3.175 20 30 FGEDLP C=C(Br)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856598204 732040582 /nfs/dbraw/zinc/04/05/82/732040582.db2.gz GJNKUPFBDNAPBI-KRWDZBQOSA-N 2 2 368.319 3.284 20 30 FGEDLP C=C(Br)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856598204 732040585 /nfs/dbraw/zinc/04/05/85/732040585.db2.gz GJNKUPFBDNAPBI-KRWDZBQOSA-N 2 2 368.319 3.284 20 30 FGEDLP C=C(Br)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856598204 732040591 /nfs/dbraw/zinc/04/05/91/732040591.db2.gz GJNKUPFBDNAPBI-KRWDZBQOSA-N 2 2 368.319 3.284 20 30 FGEDLP C=C(Br)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856598204 732040593 /nfs/dbraw/zinc/04/05/93/732040593.db2.gz GJNKUPFBDNAPBI-KRWDZBQOSA-N 2 2 368.319 3.284 20 30 FGEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1csc(C#N)c1 ZINC000892149652 739970718 /nfs/dbraw/zinc/97/07/18/739970718.db2.gz FRROPYLTTWBYPJ-UHFFFAOYSA-N 3 2 360.571 3.248 20 30 FGEDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1csc(C#N)c1 ZINC000892149652 739970720 /nfs/dbraw/zinc/97/07/20/739970720.db2.gz FRROPYLTTWBYPJ-UHFFFAOYSA-N 3 2 360.571 3.248 20 30 FGEDLP FC1(F)[C@H]2C[N@H+](CCC[NH2+]C3CC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923531437 759142964 /nfs/dbraw/zinc/14/29/64/759142964.db2.gz QAWMRKRKGYKDIK-AOOOYVTPSA-N 2 2 366.296 3.231 20 30 FGEDLP FC1(F)[C@H]2C[N@@H+](CCC[NH2+]C3CC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923531437 759142971 /nfs/dbraw/zinc/14/29/71/759142971.db2.gz QAWMRKRKGYKDIK-AOOOYVTPSA-N 2 2 366.296 3.231 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000576863560 505611517 /nfs/dbraw/zinc/61/15/17/505611517.db2.gz KNASSQKBMCATMM-SFHVURJKSA-N 2 2 363.571 3.235 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000576863560 505611520 /nfs/dbraw/zinc/61/15/20/505611520.db2.gz KNASSQKBMCATMM-SFHVURJKSA-N 2 2 363.571 3.235 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000576863560 505611524 /nfs/dbraw/zinc/61/15/24/505611524.db2.gz KNASSQKBMCATMM-SFHVURJKSA-N 2 2 363.571 3.235 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000576863560 505611525 /nfs/dbraw/zinc/61/15/25/505611525.db2.gz KNASSQKBMCATMM-SFHVURJKSA-N 2 2 363.571 3.235 20 30 FGEDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000092587941 494680896 /nfs/dbraw/zinc/68/08/96/494680896.db2.gz WCGANNXXQDMZPO-IEBWSBKVSA-N 2 2 351.498 3.292 20 30 FGEDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000092587941 494680900 /nfs/dbraw/zinc/68/09/00/494680900.db2.gz WCGANNXXQDMZPO-IEBWSBKVSA-N 2 2 351.498 3.292 20 30 FGEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000092587941 494680910 /nfs/dbraw/zinc/68/09/10/494680910.db2.gz WCGANNXXQDMZPO-IEBWSBKVSA-N 2 2 351.498 3.292 20 30 FGEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000092587941 494680915 /nfs/dbraw/zinc/68/09/15/494680915.db2.gz WCGANNXXQDMZPO-IEBWSBKVSA-N 2 2 351.498 3.292 20 30 FGEDLP N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000134936597 495226369 /nfs/dbraw/zinc/22/63/69/495226369.db2.gz KHKNITCNWFXFPY-MJGOQNOKSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000134936597 495226372 /nfs/dbraw/zinc/22/63/72/495226372.db2.gz KHKNITCNWFXFPY-MJGOQNOKSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1ccc(-c2nnc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000134936597 495226376 /nfs/dbraw/zinc/22/63/76/495226376.db2.gz KHKNITCNWFXFPY-MJGOQNOKSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1ccc(-c2nnc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000134936597 495226381 /nfs/dbraw/zinc/22/63/81/495226381.db2.gz KHKNITCNWFXFPY-MJGOQNOKSA-N 2 2 363.465 3.057 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](CN2CCOCC2)c2ccc(CC)cc2)CC1 ZINC000183563121 496032588 /nfs/dbraw/zinc/03/25/88/496032588.db2.gz KFYQVYUEGMJFCT-QHCPKHFHSA-N 2 2 371.569 3.252 20 30 FGEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2Br)C1 ZINC000181132830 496281494 /nfs/dbraw/zinc/28/14/94/496281494.db2.gz FKXCXYIJRVTWDV-HNNXBMFYSA-N 2 2 350.304 3.484 20 30 FGEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2Br)C1 ZINC000181132830 496281499 /nfs/dbraw/zinc/28/14/99/496281499.db2.gz FKXCXYIJRVTWDV-HNNXBMFYSA-N 2 2 350.304 3.484 20 30 FGEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181132830 496281505 /nfs/dbraw/zinc/28/15/05/496281505.db2.gz FKXCXYIJRVTWDV-HNNXBMFYSA-N 2 2 350.304 3.484 20 30 FGEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181132830 496281508 /nfs/dbraw/zinc/28/15/08/496281508.db2.gz FKXCXYIJRVTWDV-HNNXBMFYSA-N 2 2 350.304 3.484 20 30 FGEDLP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000182082142 496661879 /nfs/dbraw/zinc/66/18/79/496661879.db2.gz OITKUIXQNXKUOA-JOCHJYFZSA-N 2 2 367.468 3.159 20 30 FGEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)c1ccco1 ZINC000264094728 496811059 /nfs/dbraw/zinc/81/10/59/496811059.db2.gz MCIBEWKOXQXXCY-OAHLLOKOSA-N 2 2 360.458 3.107 20 30 FGEDLP Cc1ccccc1C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000191564782 496813867 /nfs/dbraw/zinc/81/38/67/496813867.db2.gz YWTQIUXDKPCFCW-HSZRJFAPSA-N 2 2 363.505 3.024 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000248453517 497016790 /nfs/dbraw/zinc/01/67/90/497016790.db2.gz QJXWFTGAEPYIAQ-PWRODBHTSA-N 2 2 351.494 3.070 20 30 FGEDLP N#CCCn1cc(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc21 ZINC000265500934 497129804 /nfs/dbraw/zinc/12/98/04/497129804.db2.gz PGLNNIAMFGIGQZ-UHFFFAOYSA-N 2 2 361.449 3.340 20 30 FGEDLP Cc1sc(NC(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c(C)c1C ZINC000267011978 497468131 /nfs/dbraw/zinc/46/81/31/497468131.db2.gz MTYYOYVKAVIFHD-UHFFFAOYSA-N 2 2 374.510 3.011 20 30 FGEDLP [NH2+]=C(NCc1cn2c([nH+]1)CCCC2)Nc1ccc(OC(F)(F)F)cc1 ZINC000262020145 497494193 /nfs/dbraw/zinc/49/41/93/497494193.db2.gz XPAGRHFWYGXZKJ-UHFFFAOYSA-N 2 2 353.348 3.045 20 30 FGEDLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(OCC#N)cc1 ZINC000272272685 497583300 /nfs/dbraw/zinc/58/33/00/497583300.db2.gz NOGFCVZHVYJJGL-QFBILLFUSA-N 2 2 365.481 3.297 20 30 FGEDLP [NH2+]=C(NCc1cn2c([nH+]1)CCCC2)Nc1ccccc1OC(F)(F)F ZINC000262765031 497616470 /nfs/dbraw/zinc/61/64/70/497616470.db2.gz GEZKUNSXIAIWMY-UHFFFAOYSA-N 2 2 353.348 3.045 20 30 FGEDLP C[C@@H]1C(=O)CC[C@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000329928373 497956633 /nfs/dbraw/zinc/95/66/33/497956633.db2.gz MITJGBWOUKHWTI-CRAIPNDOSA-N 2 2 363.546 3.143 20 30 FGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000330288904 498095141 /nfs/dbraw/zinc/09/51/41/498095141.db2.gz DJWXMXYHSPARSH-MSOLQXFVSA-N 2 2 361.534 3.322 20 30 FGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000330288904 498095147 /nfs/dbraw/zinc/09/51/47/498095147.db2.gz DJWXMXYHSPARSH-MSOLQXFVSA-N 2 2 361.534 3.322 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000361666834 498417339 /nfs/dbraw/zinc/41/73/39/498417339.db2.gz KVUBKGHTNIFCKK-FUHWJXTLSA-N 2 2 365.481 3.370 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000361666834 498417345 /nfs/dbraw/zinc/41/73/45/498417345.db2.gz KVUBKGHTNIFCKK-FUHWJXTLSA-N 2 2 365.481 3.370 20 30 FGEDLP C[NH+]1CCC(Oc2ccc(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc2)CC1 ZINC000329160641 499059289 /nfs/dbraw/zinc/05/92/89/499059289.db2.gz YIXJKXFNVUXULG-QGZVFWFLSA-N 2 2 368.481 3.075 20 30 FGEDLP C[NH+]1CCC(Oc2ccc(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2)CC1 ZINC000329160639 499059499 /nfs/dbraw/zinc/05/94/99/499059499.db2.gz YIXJKXFNVUXULG-KRWDZBQOSA-N 2 2 368.481 3.075 20 30 FGEDLP CC[C@@H]1C[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC(=O)N1 ZINC000329368300 499109795 /nfs/dbraw/zinc/10/97/95/499109795.db2.gz ABZWEGIVGRJTKC-IAGOWNOFSA-N 2 2 364.534 3.038 20 30 FGEDLP COc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccncc3)CC2)cc1C#N ZINC000367399985 499194932 /nfs/dbraw/zinc/19/49/32/499194932.db2.gz BVLVWRCTNRKGLV-UHFFFAOYSA-N 2 2 350.466 3.058 20 30 FGEDLP COc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccncc3)CC2)cc1C#N ZINC000367399985 499194934 /nfs/dbraw/zinc/19/49/34/499194934.db2.gz BVLVWRCTNRKGLV-UHFFFAOYSA-N 2 2 350.466 3.058 20 30 FGEDLP C[N@H+](Cc1ccc(F)c(C#N)c1Cl)C1CC[NH+](C2CCOCC2)CC1 ZINC000375412038 499515866 /nfs/dbraw/zinc/51/58/66/499515866.db2.gz BTNXONZKUAQPAR-UHFFFAOYSA-N 2 2 365.880 3.426 20 30 FGEDLP C[N@@H+](Cc1ccc(F)c(C#N)c1Cl)C1CC[NH+](C2CCOCC2)CC1 ZINC000375412038 499515867 /nfs/dbraw/zinc/51/58/67/499515867.db2.gz BTNXONZKUAQPAR-UHFFFAOYSA-N 2 2 365.880 3.426 20 30 FGEDLP COc1ccc([C@@H]([NH2+]CCOc2ccc(C#N)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422992053 500328322 /nfs/dbraw/zinc/32/83/22/500328322.db2.gz QNJOWLBZPDUFMV-LEWJYISDSA-N 2 2 351.450 3.029 20 30 FGEDLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1 ZINC000447533726 500618381 /nfs/dbraw/zinc/61/83/81/500618381.db2.gz YUALZNASHXQYSD-QFIPXVFZSA-N 3 2 363.509 3.206 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(I)cc2)CC1 ZINC000449119767 500929493 /nfs/dbraw/zinc/92/94/93/500929493.db2.gz AURRNZZNLBVWDJ-UHFFFAOYSA-N 2 2 356.251 3.031 20 30 FGEDLP N#CCc1ccc(C[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)cc1 ZINC000451029041 501240325 /nfs/dbraw/zinc/24/03/25/501240325.db2.gz QEZCHTBJZRJERQ-FQEVSTJZSA-N 2 2 362.477 3.401 20 30 FGEDLP N#CCc1ccc(C[N@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)cc1 ZINC000451029041 501240326 /nfs/dbraw/zinc/24/03/26/501240326.db2.gz QEZCHTBJZRJERQ-FQEVSTJZSA-N 2 2 362.477 3.401 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464840324 502115041 /nfs/dbraw/zinc/11/50/41/502115041.db2.gz SMJGQXXADDDTOJ-TZIWHRDSSA-N 2 2 357.542 3.253 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464840324 502115042 /nfs/dbraw/zinc/11/50/42/502115042.db2.gz SMJGQXXADDDTOJ-TZIWHRDSSA-N 2 2 357.542 3.253 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464840324 502115045 /nfs/dbraw/zinc/11/50/45/502115045.db2.gz SMJGQXXADDDTOJ-TZIWHRDSSA-N 2 2 357.542 3.253 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464840324 502115049 /nfs/dbraw/zinc/11/50/49/502115049.db2.gz SMJGQXXADDDTOJ-TZIWHRDSSA-N 2 2 357.542 3.253 20 30 FGEDLP C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466378795 502553282 /nfs/dbraw/zinc/55/32/82/502553282.db2.gz SECYROWFURQWST-SXLOBPIMSA-N 2 2 364.578 3.320 20 30 FGEDLP C=CC[C@H](CC)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466378795 502553288 /nfs/dbraw/zinc/55/32/88/502553288.db2.gz SECYROWFURQWST-SXLOBPIMSA-N 2 2 364.578 3.320 20 30 FGEDLP C[C@@H]1CN(c2cc(C#N)ccc2C(F)(F)F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000505708351 502970874 /nfs/dbraw/zinc/97/08/74/502970874.db2.gz YYWYSMJLDZEYEZ-CQSZACIVSA-N 2 2 366.431 3.182 20 30 FGEDLP C[C@@H]1CN(c2cc(C#N)ccc2C(F)(F)F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000505708351 502970875 /nfs/dbraw/zinc/97/08/75/502970875.db2.gz YYWYSMJLDZEYEZ-CQSZACIVSA-N 2 2 366.431 3.182 20 30 FGEDLP N#Cc1ccccc1-c1ccc(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000510224179 503074443 /nfs/dbraw/zinc/07/44/43/503074443.db2.gz SPEIPKGGNDESCJ-UHFFFAOYSA-N 2 2 357.461 3.266 20 30 FGEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000500086638 503549621 /nfs/dbraw/zinc/54/96/21/503549621.db2.gz JXAVJBDFAOTTFL-ATKRNPRHSA-N 2 2 355.526 3.337 20 30 FGEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000500086638 503549627 /nfs/dbraw/zinc/54/96/27/503549627.db2.gz JXAVJBDFAOTTFL-ATKRNPRHSA-N 2 2 355.526 3.337 20 30 FGEDLP N#Cc1cccc(-c2nnc(C[NH+]3CCC(Nc4cccc[nH+]4)CC3)o2)c1 ZINC000535574661 504475288 /nfs/dbraw/zinc/47/52/88/504475288.db2.gz BHWZVGMLORHLBV-UHFFFAOYSA-N 2 2 360.421 3.080 20 30 FGEDLP Cc1oc(NC(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(C#N)c1C ZINC000564047185 505310023 /nfs/dbraw/zinc/31/00/23/505310023.db2.gz HWEMGLJGOVIZEX-UHFFFAOYSA-N 2 2 369.469 3.096 20 30 FGEDLP COc1ccc(F)c(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593693192 506734023 /nfs/dbraw/zinc/73/40/23/506734023.db2.gz RZTZYJSCIINEQV-UHFFFAOYSA-N 2 2 353.441 3.460 20 30 FGEDLP N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000591083607 507105595 /nfs/dbraw/zinc/10/55/95/507105595.db2.gz ZTHKLOJXTCNJIW-KRWDZBQOSA-N 2 2 361.449 3.271 20 30 FGEDLP N#CCCn1cc(C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c2ccccc21 ZINC000591083607 507105604 /nfs/dbraw/zinc/10/56/04/507105604.db2.gz ZTHKLOJXTCNJIW-KRWDZBQOSA-N 2 2 361.449 3.271 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCc4ccccc4NC3=O)CC2)cc1 ZINC000594511831 507163297 /nfs/dbraw/zinc/16/32/97/507163297.db2.gz QODFCERRSBWQPC-QFIPXVFZSA-N 2 2 374.488 3.066 20 30 FGEDLP CC(C)OC(=O)C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000594625234 507215733 /nfs/dbraw/zinc/21/57/33/507215733.db2.gz SXPSOYPDCDESPW-NRFANRHFSA-N 2 2 371.525 3.479 20 30 FGEDLP COc1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)ccc1C#N ZINC000594738785 507262960 /nfs/dbraw/zinc/26/29/60/507262960.db2.gz NHJAWCVWDMTQRW-VQIMIIECSA-N 2 2 357.404 3.080 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](C3CCC3)[C@H]3CCCO3)CC2)cc1 ZINC000601156642 507281369 /nfs/dbraw/zinc/28/13/69/507281369.db2.gz UQSAXTJJTMXBCE-FGZHOGPDSA-N 2 2 353.510 3.460 20 30 FGEDLP CC(C)(CCC#N)CNc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000610910712 507439999 /nfs/dbraw/zinc/43/99/99/507439999.db2.gz RACDPAPSGIDVCC-UHFFFAOYSA-N 2 2 355.486 3.179 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602539337 507743275 /nfs/dbraw/zinc/74/32/75/507743275.db2.gz JWRQQKSUKZBORX-UHFFFAOYSA-N 2 2 360.277 3.159 20 30 FGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1OC ZINC000629657428 716332121 /nfs/dbraw/zinc/33/21/21/716332121.db2.gz XSJXTYRYNFRYPM-CABCVRRESA-N 2 2 358.404 3.219 20 30 FGEDLP C=CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1OC ZINC000629657428 716332127 /nfs/dbraw/zinc/33/21/27/716332127.db2.gz XSJXTYRYNFRYPM-CABCVRRESA-N 2 2 358.404 3.219 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901155 718385122 /nfs/dbraw/zinc/38/51/22/718385122.db2.gz JPZGDHOHAUFMLI-JENIJYKNSA-N 2 2 361.555 3.115 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901155 718385123 /nfs/dbraw/zinc/38/51/23/718385123.db2.gz JPZGDHOHAUFMLI-JENIJYKNSA-N 2 2 361.555 3.115 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CCC[C@H]2CC)c1=S ZINC000727824766 722447728 /nfs/dbraw/zinc/44/77/28/722447728.db2.gz REYCGVWPHABBFS-QGZVFWFLSA-N 2 2 363.575 3.460 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CCC[C@H]2CC)c1=S ZINC000727824766 722447729 /nfs/dbraw/zinc/44/77/29/722447729.db2.gz REYCGVWPHABBFS-QGZVFWFLSA-N 2 2 363.575 3.460 20 30 FGEDLP C#CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000766244297 723564312 /nfs/dbraw/zinc/56/43/12/723564312.db2.gz UAMJOSCYNCTOMC-INIZCTEOSA-N 2 2 360.255 3.105 20 30 FGEDLP C#CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000766244297 723564314 /nfs/dbraw/zinc/56/43/14/723564314.db2.gz UAMJOSCYNCTOMC-INIZCTEOSA-N 2 2 360.255 3.105 20 30 FGEDLP C[NH+](CC#CC[N@@H+](C)Cc1ccc(Cl)nc1)Cc1ccc(Cl)nc1 ZINC000788483194 725067220 /nfs/dbraw/zinc/06/72/20/725067220.db2.gz SXADTBWPAVEACX-UHFFFAOYSA-N 2 2 363.292 3.351 20 30 FGEDLP C[NH+](CC#CC[N@H+](C)Cc1ccc(Cl)nc1)Cc1ccc(Cl)nc1 ZINC000788483194 725067223 /nfs/dbraw/zinc/06/72/23/725067223.db2.gz SXADTBWPAVEACX-UHFFFAOYSA-N 2 2 363.292 3.351 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)CC1 ZINC000892880793 740054601 /nfs/dbraw/zinc/05/46/01/740054601.db2.gz JNEFIDPSZKOIJQ-PMPSAXMXSA-N 2 2 362.436 3.137 20 30 FGEDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000092587942 494679785 /nfs/dbraw/zinc/67/97/85/494679785.db2.gz WCGANNXXQDMZPO-PKOBYXMFSA-N 2 2 351.498 3.292 20 30 FGEDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000092587942 494679789 /nfs/dbraw/zinc/67/97/89/494679789.db2.gz WCGANNXXQDMZPO-PKOBYXMFSA-N 2 2 351.498 3.292 20 30 FGEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000092587942 494679794 /nfs/dbraw/zinc/67/97/94/494679794.db2.gz WCGANNXXQDMZPO-PKOBYXMFSA-N 2 2 351.498 3.292 20 30 FGEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000092587942 494679799 /nfs/dbraw/zinc/67/97/99/494679799.db2.gz WCGANNXXQDMZPO-PKOBYXMFSA-N 2 2 351.498 3.292 20 30 FGEDLP CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000092669052 494705785 /nfs/dbraw/zinc/70/57/85/494705785.db2.gz JRXAVHPNVAZACZ-FQEVSTJZSA-N 2 2 369.557 3.246 20 30 FGEDLP CC(C)(CCC#N)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000092669052 494705793 /nfs/dbraw/zinc/70/57/93/494705793.db2.gz JRXAVHPNVAZACZ-FQEVSTJZSA-N 2 2 369.557 3.246 20 30 FGEDLP COc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1C#N ZINC000135129941 495254197 /nfs/dbraw/zinc/25/41/97/495254197.db2.gz ZLPPHTAZKSNHHS-UHFFFAOYSA-N 2 2 364.493 3.101 20 30 FGEDLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1C#N ZINC000135129941 495254200 /nfs/dbraw/zinc/25/42/00/495254200.db2.gz ZLPPHTAZKSNHHS-UHFFFAOYSA-N 2 2 364.493 3.101 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152337510 496121177 /nfs/dbraw/zinc/12/11/77/496121177.db2.gz VTXATVDPWYCQLJ-DLBZAZTESA-N 2 2 374.554 3.293 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152337510 496121182 /nfs/dbraw/zinc/12/11/82/496121182.db2.gz VTXATVDPWYCQLJ-DLBZAZTESA-N 2 2 374.554 3.293 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152337510 496121187 /nfs/dbraw/zinc/12/11/87/496121187.db2.gz VTXATVDPWYCQLJ-DLBZAZTESA-N 2 2 374.554 3.293 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152337510 496121188 /nfs/dbraw/zinc/12/11/88/496121188.db2.gz VTXATVDPWYCQLJ-DLBZAZTESA-N 2 2 374.554 3.293 20 30 FGEDLP Cc1cc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nc(-c2ccncc2)[nH+]1 ZINC000161929735 496264502 /nfs/dbraw/zinc/26/45/02/496264502.db2.gz MVQROOOXTVJZEM-UHFFFAOYSA-N 2 2 372.476 3.287 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181101181 496270364 /nfs/dbraw/zinc/27/03/64/496270364.db2.gz BYKRMQZTZYBJNF-LJQANCHMSA-N 2 2 367.497 3.157 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000181101181 496270371 /nfs/dbraw/zinc/27/03/71/496270371.db2.gz BYKRMQZTZYBJNF-LJQANCHMSA-N 2 2 367.497 3.157 20 30 FGEDLP C[NH+](C)[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000181402768 496379978 /nfs/dbraw/zinc/37/99/78/496379978.db2.gz HDTZIUJYDIZDMW-FQEVSTJZSA-N 2 2 368.550 3.477 20 30 FGEDLP CN(C)[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000181402768 496379979 /nfs/dbraw/zinc/37/99/79/496379979.db2.gz HDTZIUJYDIZDMW-FQEVSTJZSA-N 2 2 368.550 3.477 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157026781 496388551 /nfs/dbraw/zinc/38/85/51/496388551.db2.gz IVTYNHVWSDWYNQ-VCOUNFBDSA-N 2 2 370.541 3.026 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157026781 496388557 /nfs/dbraw/zinc/38/85/57/496388557.db2.gz IVTYNHVWSDWYNQ-VCOUNFBDSA-N 2 2 370.541 3.026 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157026781 496388560 /nfs/dbraw/zinc/38/85/60/496388560.db2.gz IVTYNHVWSDWYNQ-VCOUNFBDSA-N 2 2 370.541 3.026 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157026781 496388564 /nfs/dbraw/zinc/38/85/64/496388564.db2.gz IVTYNHVWSDWYNQ-VCOUNFBDSA-N 2 2 370.541 3.026 20 30 FGEDLP CC[NH+]1CCC(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181823138 496560306 /nfs/dbraw/zinc/56/03/06/496560306.db2.gz QFACGJUKLCMCFU-UHFFFAOYSA-N 3 2 354.542 3.234 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@@]4(CCSC4)C3)CC2)cc1 ZINC000182037495 496644083 /nfs/dbraw/zinc/64/40/83/496644083.db2.gz CNJODVOXOFXFQB-SFTDATJTSA-N 2 2 371.550 3.167 20 30 FGEDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000191515056 496793184 /nfs/dbraw/zinc/79/31/84/496793184.db2.gz AGWCTTQFWHNKTK-UHFFFAOYSA-N 2 2 364.453 3.279 20 30 FGEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000191515056 496793191 /nfs/dbraw/zinc/79/31/91/496793191.db2.gz AGWCTTQFWHNKTK-UHFFFAOYSA-N 2 2 364.453 3.279 20 30 FGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC[C@H]21 ZINC000248181993 496968856 /nfs/dbraw/zinc/96/88/56/496968856.db2.gz WOCYWQAONHIQKI-VQIMIIECSA-N 2 2 374.916 3.003 20 30 FGEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC[C@H]21 ZINC000248181993 496968857 /nfs/dbraw/zinc/96/88/57/496968857.db2.gz WOCYWQAONHIQKI-VQIMIIECSA-N 2 2 374.916 3.003 20 30 FGEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC[C@H]21 ZINC000248181993 496968858 /nfs/dbraw/zinc/96/88/58/496968858.db2.gz WOCYWQAONHIQKI-VQIMIIECSA-N 2 2 374.916 3.003 20 30 FGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC[C@H]21 ZINC000248181993 496968859 /nfs/dbraw/zinc/96/88/59/496968859.db2.gz WOCYWQAONHIQKI-VQIMIIECSA-N 2 2 374.916 3.003 20 30 FGEDLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(Cl)cc3C#N)CC2)CC1 ZINC000274849587 497180869 /nfs/dbraw/zinc/18/08/69/497180869.db2.gz QSLCUHKBLUDQIS-UHFFFAOYSA-N 2 2 360.933 3.202 20 30 FGEDLP CN(C)[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccsc1 ZINC000271822260 497460813 /nfs/dbraw/zinc/46/08/13/497460813.db2.gz CLIJBIPLZHDFCJ-OAQYLSRUSA-N 2 2 368.550 3.477 20 30 FGEDLP C[NH+](C)[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccsc1 ZINC000271822260 497460817 /nfs/dbraw/zinc/46/08/17/497460817.db2.gz CLIJBIPLZHDFCJ-OAQYLSRUSA-N 2 2 368.550 3.477 20 30 FGEDLP CN(CCC#N)c1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000194060559 497560702 /nfs/dbraw/zinc/56/07/02/497560702.db2.gz NGVIEVPMJSLRAU-UHFFFAOYSA-N 2 2 363.509 3.186 20 30 FGEDLP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000297486549 498466598 /nfs/dbraw/zinc/46/65/98/498466598.db2.gz AKGVETFATILGHT-LJQANCHMSA-N 2 2 367.497 3.181 20 30 FGEDLP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000297486546 498466753 /nfs/dbraw/zinc/46/67/53/498466753.db2.gz AKGVETFATILGHT-IBGZPJMESA-N 2 2 367.497 3.181 20 30 FGEDLP CCC[N@H+](Cc1nc(C#N)cs1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000579048387 506081838 /nfs/dbraw/zinc/08/18/38/506081838.db2.gz YIGDPKRTZZYNAS-UHFFFAOYSA-N 2 2 370.526 3.303 20 30 FGEDLP CCC[N@@H+](Cc1nc(C#N)cs1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000579048387 506081841 /nfs/dbraw/zinc/08/18/41/506081841.db2.gz YIGDPKRTZZYNAS-UHFFFAOYSA-N 2 2 370.526 3.303 20 30 FGEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCO1 ZINC000328746312 498924308 /nfs/dbraw/zinc/92/43/08/498924308.db2.gz AMEGCRZLFZBBQA-SUMDDJOVSA-N 2 2 360.502 3.394 20 30 FGEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCO1 ZINC000328746312 498924315 /nfs/dbraw/zinc/92/43/15/498924315.db2.gz AMEGCRZLFZBBQA-SUMDDJOVSA-N 2 2 360.502 3.394 20 30 FGEDLP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329442445 499122129 /nfs/dbraw/zinc/12/21/29/499122129.db2.gz LEMJTGZFZSFQQD-OALUTQOASA-N 2 2 352.482 3.457 20 30 FGEDLP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329442445 499122132 /nfs/dbraw/zinc/12/21/32/499122132.db2.gz LEMJTGZFZSFQQD-OALUTQOASA-N 2 2 352.482 3.457 20 30 FGEDLP Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)c(C#N)c1C ZINC000372090806 499398199 /nfs/dbraw/zinc/39/81/99/499398199.db2.gz QSNDFSZEZOJPNQ-INIZCTEOSA-N 2 2 369.469 3.191 20 30 FGEDLP Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)c(C#N)c1C ZINC000372090806 499398200 /nfs/dbraw/zinc/39/82/00/499398200.db2.gz QSNDFSZEZOJPNQ-INIZCTEOSA-N 2 2 369.469 3.191 20 30 FGEDLP N#Cc1c(F)ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1Cl ZINC000372992928 499446380 /nfs/dbraw/zinc/44/63/80/499446380.db2.gz MKXOZXIKKINAFJ-UHFFFAOYSA-N 2 2 358.848 3.500 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1OCC ZINC000414786894 499831083 /nfs/dbraw/zinc/83/10/83/499831083.db2.gz BROCWCWOOGQUEY-OAHLLOKOSA-N 2 2 371.319 3.486 20 30 FGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000435739948 501021046 /nfs/dbraw/zinc/02/10/46/501021046.db2.gz ZGOCDDYWSKSHJI-CJNGLKHVSA-N 2 2 364.287 3.476 20 30 FGEDLP COc1ccc(C#N)cc1C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107150 501436514 /nfs/dbraw/zinc/43/65/14/501436514.db2.gz ALIOSXCJUYYUNS-UHFFFAOYSA-N 2 2 355.404 3.415 20 30 FGEDLP COc1ccc(C#N)cc1C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107150 501436516 /nfs/dbraw/zinc/43/65/16/501436516.db2.gz ALIOSXCJUYYUNS-UHFFFAOYSA-N 2 2 355.404 3.415 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000602708756 506268442 /nfs/dbraw/zinc/26/84/42/506268442.db2.gz XTELPWZEFPMOIT-UHFFFAOYSA-N 2 2 364.449 3.263 20 30 FGEDLP C=CCSc1ccccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000485469230 501830007 /nfs/dbraw/zinc/83/00/07/501830007.db2.gz UJECIDZMSAWZQG-UHFFFAOYSA-N 2 2 373.566 3.253 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000464777740 502090774 /nfs/dbraw/zinc/09/07/74/502090774.db2.gz PBZYMGVOAQZVTN-MSOLQXFVSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000464777740 502090776 /nfs/dbraw/zinc/09/07/76/502090776.db2.gz PBZYMGVOAQZVTN-MSOLQXFVSA-N 2 2 363.571 3.315 20 30 FGEDLP C=C(C)COc1cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)ccc1OC ZINC000508486951 503503894 /nfs/dbraw/zinc/50/38/94/503503894.db2.gz JPIGITOSNKCWHZ-UHFFFAOYSA-N 2 2 364.449 3.324 20 30 FGEDLP C=CCC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000540430186 503769370 /nfs/dbraw/zinc/76/93/70/503769370.db2.gz NDVOTINQKBGYEC-KRWDZBQOSA-N 2 2 369.431 3.076 20 30 FGEDLP COC(=O)c1cccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1C#N ZINC000541599461 504194642 /nfs/dbraw/zinc/19/46/42/504194642.db2.gz NCPXDYAXJFGYTF-RDJZCZTQSA-N 2 2 355.482 3.087 20 30 FGEDLP COC(=O)c1cccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1C#N ZINC000541599461 504194647 /nfs/dbraw/zinc/19/46/47/504194647.db2.gz NCPXDYAXJFGYTF-RDJZCZTQSA-N 2 2 355.482 3.087 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3COc4ccc(F)cc4C3)CC2)cc1 ZINC000564152161 505338934 /nfs/dbraw/zinc/33/89/34/505338934.db2.gz LACRCROTIIAOPI-NRFANRHFSA-N 2 2 365.452 3.255 20 30 FGEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000567271641 505414879 /nfs/dbraw/zinc/41/48/79/505414879.db2.gz CJNGLELIEAQPAB-UTKZUKDTSA-N 2 2 374.492 3.086 20 30 FGEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)CC[N@H+]1Cc1ccccc1 ZINC000567271641 505414884 /nfs/dbraw/zinc/41/48/84/505414884.db2.gz CJNGLELIEAQPAB-UTKZUKDTSA-N 2 2 374.492 3.086 20 30 FGEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc3c(C#N)cnn3c2)CC[NH+]1Cc1ccccc1 ZINC000567271641 505414890 /nfs/dbraw/zinc/41/48/90/505414890.db2.gz CJNGLELIEAQPAB-UTKZUKDTSA-N 2 2 374.492 3.086 20 30 FGEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)CC[NH+]1Cc1ccccc1 ZINC000567271641 505414896 /nfs/dbraw/zinc/41/48/96/505414896.db2.gz CJNGLELIEAQPAB-UTKZUKDTSA-N 2 2 374.492 3.086 20 30 FGEDLP N#CCc1cccc2c1CC[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000599677020 506572896 /nfs/dbraw/zinc/57/28/96/506572896.db2.gz DNEDBVZCRGGZLO-UHFFFAOYSA-N 2 2 361.489 3.143 20 30 FGEDLP N#CCc1cccc2c1CC[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000599677020 506572900 /nfs/dbraw/zinc/57/29/00/506572900.db2.gz DNEDBVZCRGGZLO-UHFFFAOYSA-N 2 2 361.489 3.143 20 30 FGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000590003962 506704005 /nfs/dbraw/zinc/70/40/05/506704005.db2.gz XOWIVVIWISEQIG-FQEVSTJZSA-N 2 2 359.433 3.101 20 30 FGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000590003962 506704008 /nfs/dbraw/zinc/70/40/08/506704008.db2.gz XOWIVVIWISEQIG-FQEVSTJZSA-N 2 2 359.433 3.101 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccc(-n4cccn4)c3)CC2)c1 ZINC000593693062 506734658 /nfs/dbraw/zinc/73/46/58/506734658.db2.gz NSTYTVBVJNAGBQ-UHFFFAOYSA-N 2 2 371.488 3.498 20 30 FGEDLP COC(=O)c1coc([C@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000593720495 506746965 /nfs/dbraw/zinc/74/69/65/506746965.db2.gz GEFBGIUTRWKYBH-HNNXBMFYSA-N 2 2 367.449 3.253 20 30 FGEDLP N#Cc1csc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000595000939 507348662 /nfs/dbraw/zinc/34/86/62/507348662.db2.gz QSEXIKGFIWVSIH-QGZVFWFLSA-N 2 2 352.507 3.407 20 30 FGEDLP N#Cc1csc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000595000939 507348668 /nfs/dbraw/zinc/34/86/68/507348668.db2.gz QSEXIKGFIWVSIH-QGZVFWFLSA-N 2 2 352.507 3.407 20 30 FGEDLP COc1cc(C[NH+]2CC[C@](C)(C#N)C2)cc(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595840364 507710184 /nfs/dbraw/zinc/71/01/84/507710184.db2.gz AEKUXZFVIFMSON-NHCUHLMSSA-N 2 2 352.482 3.166 20 30 FGEDLP COc1cc(C[NH+]2CC[C@](C)(C#N)C2)cc(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595840364 507710187 /nfs/dbraw/zinc/71/01/87/507710187.db2.gz AEKUXZFVIFMSON-NHCUHLMSSA-N 2 2 352.482 3.166 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)CC1 ZINC000638524385 717453901 /nfs/dbraw/zinc/45/39/01/717453901.db2.gz NDDMMOZYSFWGJH-UHFFFAOYSA-N 2 2 356.436 3.368 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000834571422 729815319 /nfs/dbraw/zinc/81/53/19/729815319.db2.gz SVVUXKCRZGCZGP-ZWKOTPCHSA-N 2 2 351.535 3.405 20 30 FGEDLP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(C#N)cc1F ZINC000580350633 505738640 /nfs/dbraw/zinc/73/86/40/505738640.db2.gz ANAORUGJCRVXDS-VGSWGCGISA-N 2 2 366.484 3.337 20 30 FGEDLP C=CCC[C@H](CCC)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119061270 495083262 /nfs/dbraw/zinc/08/32/62/495083262.db2.gz SWCXPASIDMPEGW-RBUKOAKNSA-N 2 2 373.545 3.007 20 30 FGEDLP C=C[C@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000179569949 495644217 /nfs/dbraw/zinc/64/42/17/495644217.db2.gz XDDRLWMEPUMVCU-VMSMKEMKSA-N 2 2 367.537 3.116 20 30 FGEDLP C=C[C@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000179569949 495644224 /nfs/dbraw/zinc/64/42/24/495644224.db2.gz XDDRLWMEPUMVCU-VMSMKEMKSA-N 2 2 367.537 3.116 20 30 FGEDLP N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000182803461 495708886 /nfs/dbraw/zinc/70/88/86/495708886.db2.gz FQMZCLVPFORKRG-PZJWPPBQSA-N 2 2 366.509 3.004 20 30 FGEDLP N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000182803461 495708892 /nfs/dbraw/zinc/70/88/92/495708892.db2.gz FQMZCLVPFORKRG-PZJWPPBQSA-N 2 2 366.509 3.004 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173951153 495760055 /nfs/dbraw/zinc/76/00/55/495760055.db2.gz JGVIACBCQFVXCT-MJGOQNOKSA-N 2 2 374.504 3.267 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173951153 495760061 /nfs/dbraw/zinc/76/00/61/495760061.db2.gz JGVIACBCQFVXCT-MJGOQNOKSA-N 2 2 374.504 3.267 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173951153 495760066 /nfs/dbraw/zinc/76/00/66/495760066.db2.gz JGVIACBCQFVXCT-MJGOQNOKSA-N 2 2 374.504 3.267 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173951153 495760073 /nfs/dbraw/zinc/76/00/73/495760073.db2.gz JGVIACBCQFVXCT-MJGOQNOKSA-N 2 2 374.504 3.267 20 30 FGEDLP N#CCSc1ccccc1NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171671710 495982862 /nfs/dbraw/zinc/98/28/62/495982862.db2.gz NSBWZUTXOPLMFY-UHFFFAOYSA-N 2 2 372.538 3.049 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2nnn(-c3ccc(F)cc3)c2C)CC1 ZINC000153004328 496322704 /nfs/dbraw/zinc/32/27/04/496322704.db2.gz WJYWCIPRYRJYJX-OAHLLOKOSA-N 2 2 357.477 3.406 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](CCO)c3ccccc3)CC2)cc1 ZINC000181795064 496547535 /nfs/dbraw/zinc/54/75/35/496547535.db2.gz ZSGXYPJPAKDBTR-QFIPXVFZSA-N 2 2 363.505 3.278 20 30 FGEDLP Cc1cc(N2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000264084641 496808895 /nfs/dbraw/zinc/80/88/95/496808895.db2.gz DRBQJCAEDDDHHL-UHFFFAOYSA-N 2 2 365.481 3.133 20 30 FGEDLP N#Cc1ccc(N2CCC(Nc3ccc(Cn4cc[nH+]c4)c[nH+]3)CC2)cc1 ZINC000580919582 505868547 /nfs/dbraw/zinc/86/85/47/505868547.db2.gz UEHHQCVFWGPFBD-UHFFFAOYSA-N 2 2 358.449 3.279 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245458626 497416338 /nfs/dbraw/zinc/41/63/38/497416338.db2.gz UXNIOKFJAMRRRK-QZTJIDSGSA-N 2 2 363.571 3.457 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245458626 497416341 /nfs/dbraw/zinc/41/63/41/497416341.db2.gz UXNIOKFJAMRRRK-QZTJIDSGSA-N 2 2 363.571 3.457 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245458626 497416346 /nfs/dbraw/zinc/41/63/46/497416346.db2.gz UXNIOKFJAMRRRK-QZTJIDSGSA-N 2 2 363.571 3.457 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245458626 497416350 /nfs/dbraw/zinc/41/63/50/497416350.db2.gz UXNIOKFJAMRRRK-QZTJIDSGSA-N 2 2 363.571 3.457 20 30 FGEDLP CC(C)(C#N)CCC[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000266904479 497443576 /nfs/dbraw/zinc/44/35/76/497443576.db2.gz JIGXKVIMXWVESZ-FQEVSTJZSA-N 2 2 369.557 3.246 20 30 FGEDLP CC(C)(C#N)CCC[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000266904479 497443583 /nfs/dbraw/zinc/44/35/83/497443583.db2.gz JIGXKVIMXWVESZ-FQEVSTJZSA-N 2 2 369.557 3.246 20 30 FGEDLP COc1ccc(OC)c(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000271837928 497465301 /nfs/dbraw/zinc/46/53/01/497465301.db2.gz GGGUWRDBNYQCQG-UHFFFAOYSA-N 2 2 365.477 3.330 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000271841006 497465917 /nfs/dbraw/zinc/46/59/17/497465917.db2.gz GSHIRNDDSFYJFW-UHFFFAOYSA-N 2 2 364.449 3.263 20 30 FGEDLP C[NH+](C)C1CC[NH+](CCNc2c(C#N)cnc3ccc(Cl)cc32)CC1 ZINC000267148953 497493391 /nfs/dbraw/zinc/49/33/91/497493391.db2.gz BVDXLCLKUFUYDL-UHFFFAOYSA-N 2 2 357.889 3.198 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000365928826 498702385 /nfs/dbraw/zinc/70/23/85/498702385.db2.gz PSZLZEPSIBBPME-GOSISDBHSA-N 2 2 357.498 3.280 20 30 FGEDLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@H]1n1cc[nH+]c1 ZINC000329164356 499060282 /nfs/dbraw/zinc/06/02/82/499060282.db2.gz GUJWIZXAYKODIT-NVXWUHKLSA-N 2 2 370.453 3.216 20 30 FGEDLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@H]1n1cc[nH+]c1 ZINC000329164356 499060287 /nfs/dbraw/zinc/06/02/87/499060287.db2.gz GUJWIZXAYKODIT-NVXWUHKLSA-N 2 2 370.453 3.216 20 30 FGEDLP Cc1cc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c[nH+]c1N1CCCC[C@H]1C ZINC000329335447 499102653 /nfs/dbraw/zinc/10/26/53/499102653.db2.gz LGAGZVAUJUZXHM-AOIWGVFYSA-N 2 2 371.529 3.340 20 30 FGEDLP Cc1cc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c[nH+]c1N1CCCC[C@H]1C ZINC000329335447 499102657 /nfs/dbraw/zinc/10/26/57/499102657.db2.gz LGAGZVAUJUZXHM-AOIWGVFYSA-N 2 2 371.529 3.340 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCOc3ccc(C#N)cc3)[C@H](C)C2)s1 ZINC000372732735 499167795 /nfs/dbraw/zinc/16/77/95/499167795.db2.gz RHCXQADNBHJAJT-FOIQADDNSA-N 2 2 370.522 3.202 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCOc3ccc(C#N)cc3)[C@H](C)C2)s1 ZINC000372732735 499167796 /nfs/dbraw/zinc/16/77/96/499167796.db2.gz RHCXQADNBHJAJT-FOIQADDNSA-N 2 2 370.522 3.202 20 30 FGEDLP C[N@H+](CCCC1(C#N)CCOCC1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000369065449 499362090 /nfs/dbraw/zinc/36/20/90/499362090.db2.gz OVRZPGCNZHQOQN-UHFFFAOYSA-N 2 2 370.541 3.121 20 30 FGEDLP C[N@@H+](CCCC1(C#N)CCOCC1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000369065449 499362092 /nfs/dbraw/zinc/36/20/92/499362092.db2.gz OVRZPGCNZHQOQN-UHFFFAOYSA-N 2 2 370.541 3.121 20 30 FGEDLP COc1cc(C[NH2+][C@@H]2CCC[C@H]2C#N)cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000459482070 501661099 /nfs/dbraw/zinc/66/10/99/501661099.db2.gz QUPROWXBBVHZMA-KOUHRCEDSA-N 2 2 352.482 3.259 20 30 FGEDLP C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000463657025 501786944 /nfs/dbraw/zinc/78/69/44/501786944.db2.gz HAIYGFKDYMDFRN-CQSZACIVSA-N 2 2 366.431 3.182 20 30 FGEDLP C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000463657025 501786950 /nfs/dbraw/zinc/78/69/50/501786950.db2.gz HAIYGFKDYMDFRN-CQSZACIVSA-N 2 2 366.431 3.182 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475727639 502267745 /nfs/dbraw/zinc/26/77/45/502267745.db2.gz GRSLOBYFWGKTPC-HSZRJFAPSA-N 2 2 369.553 3.399 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475727639 502267752 /nfs/dbraw/zinc/26/77/52/502267752.db2.gz GRSLOBYFWGKTPC-HSZRJFAPSA-N 2 2 369.553 3.399 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475727639 502267758 /nfs/dbraw/zinc/26/77/58/502267758.db2.gz GRSLOBYFWGKTPC-HSZRJFAPSA-N 2 2 369.553 3.399 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475727639 502267762 /nfs/dbraw/zinc/26/77/62/502267762.db2.gz GRSLOBYFWGKTPC-HSZRJFAPSA-N 2 2 369.553 3.399 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483514145 502417713 /nfs/dbraw/zinc/41/77/13/502417713.db2.gz QSBIFYCVIUARFS-YADHBBJMSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483514145 502417716 /nfs/dbraw/zinc/41/77/16/502417716.db2.gz QSBIFYCVIUARFS-YADHBBJMSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483514145 502417719 /nfs/dbraw/zinc/41/77/19/502417719.db2.gz QSBIFYCVIUARFS-YADHBBJMSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483514145 502417720 /nfs/dbraw/zinc/41/77/20/502417720.db2.gz QSBIFYCVIUARFS-YADHBBJMSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCn1cccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000488790379 502810581 /nfs/dbraw/zinc/81/05/81/502810581.db2.gz WNVXPGZASXVBIY-WOJBJXKFSA-N 2 2 372.557 3.083 20 30 FGEDLP C=CCn1cccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000488790379 502810584 /nfs/dbraw/zinc/81/05/84/502810584.db2.gz WNVXPGZASXVBIY-WOJBJXKFSA-N 2 2 372.557 3.083 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](CNc1cc(C)[nH+]c(-c2cccnc2)n1)C(C)C ZINC000515582347 503368567 /nfs/dbraw/zinc/36/85/67/503368567.db2.gz AWGLMFUKTSZXOC-IBGZPJMESA-N 2 2 351.498 3.379 20 30 FGEDLP C[N@H+](Cc1cccc(C#N)c1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512427439 503546744 /nfs/dbraw/zinc/54/67/44/503546744.db2.gz LPIOKBNIHMSXQD-UHFFFAOYSA-N 2 2 352.457 3.231 20 30 FGEDLP C[N@@H+](Cc1cccc(C#N)c1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000512427439 503546749 /nfs/dbraw/zinc/54/67/49/503546749.db2.gz LPIOKBNIHMSXQD-UHFFFAOYSA-N 2 2 352.457 3.231 20 30 FGEDLP C=CC[C@H](CO)C[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000540328834 503738161 /nfs/dbraw/zinc/73/81/61/503738161.db2.gz UYSWBKSNUMSURY-IBGZPJMESA-N 2 2 365.477 3.496 20 30 FGEDLP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1OCCCC#N ZINC000527804932 503952435 /nfs/dbraw/zinc/95/24/35/503952435.db2.gz CWSITJJAFNURKO-LJQANCHMSA-N 2 2 357.498 3.484 20 30 FGEDLP COc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1OCCCC#N ZINC000527804932 503952436 /nfs/dbraw/zinc/95/24/36/503952436.db2.gz CWSITJJAFNURKO-LJQANCHMSA-N 2 2 357.498 3.484 20 30 FGEDLP N#Cc1csc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000589316846 506514721 /nfs/dbraw/zinc/51/47/21/506514721.db2.gz GLQCNKXKAIKLGK-QXAKKESOSA-N 2 2 352.507 3.405 20 30 FGEDLP N#Cc1csc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000589316846 506514725 /nfs/dbraw/zinc/51/47/25/506514725.db2.gz GLQCNKXKAIKLGK-QXAKKESOSA-N 2 2 352.507 3.405 20 30 FGEDLP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1ccc(C#N)cc1 ZINC000601099813 507260777 /nfs/dbraw/zinc/26/07/77/507260777.db2.gz ADVCODGQAHAUQC-SFHVURJKSA-N 2 2 365.477 3.120 20 30 FGEDLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000595104668 507394800 /nfs/dbraw/zinc/39/48/00/507394800.db2.gz AXGCVLQNPDIHFI-UWJYYQICSA-N 2 2 366.484 3.164 20 30 FGEDLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000595104668 507394807 /nfs/dbraw/zinc/39/48/07/507394807.db2.gz AXGCVLQNPDIHFI-UWJYYQICSA-N 2 2 366.484 3.164 20 30 FGEDLP C[C@H](c1ccccc1)[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611438899 507682981 /nfs/dbraw/zinc/68/29/81/507682981.db2.gz MAPWTXVYVCVLCX-JPYJTQIMSA-N 2 2 363.505 3.277 20 30 FGEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C#N)ccc2F)[C@@H]1c1cnn(C)c1 ZINC000328630329 529047181 /nfs/dbraw/zinc/04/71/81/529047181.db2.gz JGLRQSAHJMVQAH-LAUBAEHRSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C#N)ccc2F)[C@@H]1c1cnn(C)c1 ZINC000328630329 529047189 /nfs/dbraw/zinc/04/71/89/529047189.db2.gz JGLRQSAHJMVQAH-LAUBAEHRSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc(C#N)ccc2F)[C@@H]1c1cnn(C)c1 ZINC000328630329 529047192 /nfs/dbraw/zinc/04/71/92/529047192.db2.gz JGLRQSAHJMVQAH-LAUBAEHRSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc(C#N)ccc2F)[C@@H]1c1cnn(C)c1 ZINC000328630329 529047197 /nfs/dbraw/zinc/04/71/97/529047197.db2.gz JGLRQSAHJMVQAH-LAUBAEHRSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCc1ccccc1OC)c1ccsc1 ZINC000170912859 705366242 /nfs/dbraw/zinc/36/62/42/705366242.db2.gz HXBLSSYCDSKCMX-KRWDZBQOSA-N 2 2 360.527 3.244 20 30 FGEDLP C=CCc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc(OC)c1O ZINC000629657585 716332309 /nfs/dbraw/zinc/33/23/09/716332309.db2.gz ZZIXUKJIPHYFQA-LSDHHAIUSA-N 2 2 358.404 3.088 20 30 FGEDLP C=CCc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc(OC)c1O ZINC000629657585 716332312 /nfs/dbraw/zinc/33/23/12/716332312.db2.gz ZZIXUKJIPHYFQA-LSDHHAIUSA-N 2 2 358.404 3.088 20 30 FGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000765799679 723541867 /nfs/dbraw/zinc/54/18/67/723541867.db2.gz YDQKKXVUWAHUPR-KVSKMBFKSA-N 2 2 350.890 3.332 20 30 FGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000765799679 723541869 /nfs/dbraw/zinc/54/18/69/723541869.db2.gz YDQKKXVUWAHUPR-KVSKMBFKSA-N 2 2 350.890 3.332 20 30 FGEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000815652509 727088937 /nfs/dbraw/zinc/08/89/37/727088937.db2.gz GJJRSGGGJBYKMC-INIZCTEOSA-N 2 2 351.288 3.208 20 30 FGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000815652509 727088939 /nfs/dbraw/zinc/08/89/39/727088939.db2.gz GJJRSGGGJBYKMC-INIZCTEOSA-N 2 2 351.288 3.208 20 30 FGEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072859887 494268834 /nfs/dbraw/zinc/26/88/34/494268834.db2.gz VVJZRYNHKMQEGI-PMACEKPBSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072859887 494268837 /nfs/dbraw/zinc/26/88/37/494268837.db2.gz VVJZRYNHKMQEGI-PMACEKPBSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072859887 494268839 /nfs/dbraw/zinc/26/88/39/494268839.db2.gz VVJZRYNHKMQEGI-PMACEKPBSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000072859887 494268841 /nfs/dbraw/zinc/26/88/41/494268841.db2.gz VVJZRYNHKMQEGI-PMACEKPBSA-N 2 2 370.541 3.212 20 30 FGEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CC1 ZINC000066921386 494438588 /nfs/dbraw/zinc/43/85/88/494438588.db2.gz MZLMEXLMAJYNKS-UHFFFAOYSA-N 2 2 362.477 3.170 20 30 FGEDLP C=C(C)C[NH+]1CCC(NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000106039193 495406638 /nfs/dbraw/zinc/40/66/38/495406638.db2.gz CGQQSMSGDQJNTG-VMPITWQZSA-N 2 2 350.466 3.042 20 30 FGEDLP C=CCC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000130923328 495466721 /nfs/dbraw/zinc/46/67/21/495466721.db2.gz ZVEJOXUMYRDKTM-NRFANRHFSA-N 2 2 372.557 3.361 20 30 FGEDLP C=CCC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000130923328 495466724 /nfs/dbraw/zinc/46/67/24/495466724.db2.gz ZVEJOXUMYRDKTM-NRFANRHFSA-N 2 2 372.557 3.361 20 30 FGEDLP COc1ccc(C#N)cc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000155719926 496046180 /nfs/dbraw/zinc/04/61/80/496046180.db2.gz VYXKFUUNGWDPGV-UHFFFAOYSA-N 2 2 364.493 3.101 20 30 FGEDLP COc1ccc(C#N)cc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000155719926 496046186 /nfs/dbraw/zinc/04/61/86/496046186.db2.gz VYXKFUUNGWDPGV-UHFFFAOYSA-N 2 2 364.493 3.101 20 30 FGEDLP CC(C)Oc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000181517903 496429594 /nfs/dbraw/zinc/42/95/94/496429594.db2.gz QYGFCXBABTXHEB-UHFFFAOYSA-N 2 2 364.493 3.495 20 30 FGEDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000157606756 496514413 /nfs/dbraw/zinc/51/44/13/496514413.db2.gz GFAAIPUPLKPNAJ-RTBURBONSA-N 2 2 359.945 3.182 20 30 FGEDLP Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181818818 496558116 /nfs/dbraw/zinc/55/81/16/496558116.db2.gz HDUUDNHDZOCUCY-MRXNPFEDSA-N 2 2 365.525 3.094 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOc3ccc(F)cc3F)CC2)cc1 ZINC000181856177 496574737 /nfs/dbraw/zinc/57/47/37/496574737.db2.gz YYPFYIKWVNOBQE-UHFFFAOYSA-N 2 2 371.431 3.469 20 30 FGEDLP CC(C)(C)[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181920999 496600092 /nfs/dbraw/zinc/60/00/92/496600092.db2.gz XMERIBFMFVXOTJ-UHFFFAOYSA-N 3 2 354.542 3.375 20 30 FGEDLP Cc1cccn2cc(C[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)nc12 ZINC000181977639 496620207 /nfs/dbraw/zinc/62/02/07/496620207.db2.gz PNGTTWGVLLLRLF-UHFFFAOYSA-N 2 2 359.477 3.269 20 30 FGEDLP [NH2+]=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)Nc1ccccn1 ZINC000262021084 497493762 /nfs/dbraw/zinc/49/37/62/497493762.db2.gz XUNCDVPPEFFZKL-HNNXBMFYSA-N 2 2 361.852 3.438 20 30 FGEDLP CCC[NH+]1CCC(CNC(=O)N2CCCC[C@@H]2c2[nH+]ccn2CC)CC1 ZINC000330248840 498078328 /nfs/dbraw/zinc/07/83/28/498078328.db2.gz GKHFVTMGUFKTTO-GOSISDBHSA-N 2 2 361.534 3.466 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000572491298 505981955 /nfs/dbraw/zinc/98/19/55/505981955.db2.gz GNPABTJTKJEGTD-HXUWFJFHSA-N 2 2 355.526 3.077 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000572491298 505981956 /nfs/dbraw/zinc/98/19/56/505981956.db2.gz GNPABTJTKJEGTD-HXUWFJFHSA-N 2 2 355.526 3.077 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(Br)c(O)c(OCC)c2)CC1 ZINC000298264819 498713967 /nfs/dbraw/zinc/71/39/67/498713967.db2.gz GCBMLHRGGYZJEZ-UHFFFAOYSA-N 2 2 369.303 3.293 20 30 FGEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000332900722 498828976 /nfs/dbraw/zinc/82/89/76/498828976.db2.gz KZQJWLAOTDJSJZ-VAMGGRTRSA-N 2 2 374.573 3.304 20 30 FGEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000332900722 498828983 /nfs/dbraw/zinc/82/89/83/498828983.db2.gz KZQJWLAOTDJSJZ-VAMGGRTRSA-N 2 2 374.573 3.304 20 30 FGEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000332900722 498828988 /nfs/dbraw/zinc/82/89/88/498828988.db2.gz KZQJWLAOTDJSJZ-VAMGGRTRSA-N 2 2 374.573 3.304 20 30 FGEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000332900722 498828993 /nfs/dbraw/zinc/82/89/93/498828993.db2.gz KZQJWLAOTDJSJZ-VAMGGRTRSA-N 2 2 374.573 3.304 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000363565815 498882045 /nfs/dbraw/zinc/88/20/45/498882045.db2.gz IHWDVYZHUSOOQW-UHFFFAOYSA-N 2 2 361.917 3.185 20 30 FGEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000329461549 499124574 /nfs/dbraw/zinc/12/45/74/499124574.db2.gz PUTVRQBVHOCDDU-HXUWFJFHSA-N 2 2 367.497 3.237 20 30 FGEDLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000329486457 499127479 /nfs/dbraw/zinc/12/74/79/499127479.db2.gz RCLLNXNWBYFDCR-WRUMOOJNSA-N 2 2 355.482 3.460 20 30 FGEDLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000329486457 499127480 /nfs/dbraw/zinc/12/74/80/499127480.db2.gz RCLLNXNWBYFDCR-WRUMOOJNSA-N 2 2 355.482 3.460 20 30 FGEDLP C=CCOc1ccccc1C[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415136335 499869383 /nfs/dbraw/zinc/86/93/83/499869383.db2.gz RRXYAYBPOGCFJD-UHFFFAOYSA-N 3 2 365.521 3.335 20 30 FGEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000429715390 500129818 /nfs/dbraw/zinc/12/98/18/500129818.db2.gz IIDUMXZGOKIZBA-MRXNPFEDSA-N 2 2 364.449 3.132 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3COc4cc(F)ccc4C3)CC2)cc1 ZINC000573459772 506198511 /nfs/dbraw/zinc/19/85/11/506198511.db2.gz NZWDBLONURZDCM-OAQYLSRUSA-N 2 2 365.452 3.255 20 30 FGEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(F)c2C#N)[C@@H]1c1cnn(C)c1 ZINC000428432749 500509088 /nfs/dbraw/zinc/50/90/88/500509088.db2.gz QYRZRWGCCGEODY-LAUBAEHRSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cccc(F)c2C#N)[C@@H]1c1cnn(C)c1 ZINC000428432749 500509092 /nfs/dbraw/zinc/50/90/92/500509092.db2.gz QYRZRWGCCGEODY-LAUBAEHRSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cccc(F)c2C#N)[C@@H]1c1cnn(C)c1 ZINC000428432749 500509093 /nfs/dbraw/zinc/50/90/93/500509093.db2.gz QYRZRWGCCGEODY-LAUBAEHRSA-N 2 2 369.488 3.336 20 30 FGEDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439450477 500898677 /nfs/dbraw/zinc/89/86/77/500898677.db2.gz KWNBJELYFYODMM-IAGOWNOFSA-N 2 2 360.933 3.202 20 30 FGEDLP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000488267151 502674753 /nfs/dbraw/zinc/67/47/53/502674753.db2.gz LSXIYPVOPAPBCE-HNNXBMFYSA-N 2 2 360.502 3.149 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)Cn1c(C)[nH+]c2ccccc21)C(C)C ZINC000513020321 502832071 /nfs/dbraw/zinc/83/20/71/502832071.db2.gz ODCHRUUWCCBDDR-HXUWFJFHSA-N 2 2 354.498 3.160 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512287271 503510604 /nfs/dbraw/zinc/51/06/04/503510604.db2.gz SBTHGWIVRNTGHY-OFNKIYASSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512287271 503510607 /nfs/dbraw/zinc/51/06/07/503510607.db2.gz SBTHGWIVRNTGHY-OFNKIYASSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512287271 503510613 /nfs/dbraw/zinc/51/06/13/503510613.db2.gz SBTHGWIVRNTGHY-OFNKIYASSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512287271 503510617 /nfs/dbraw/zinc/51/06/17/503510617.db2.gz SBTHGWIVRNTGHY-OFNKIYASSA-N 2 2 369.553 3.398 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000534473628 504152191 /nfs/dbraw/zinc/15/21/91/504152191.db2.gz GOOCAWMGGNDCJZ-LJQANCHMSA-N 2 2 373.460 3.320 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000534473628 504152194 /nfs/dbraw/zinc/15/21/94/504152194.db2.gz GOOCAWMGGNDCJZ-LJQANCHMSA-N 2 2 373.460 3.320 20 30 FGEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000519768575 504332683 /nfs/dbraw/zinc/33/26/83/504332683.db2.gz HWAFFBZXULYSFY-UHFFFAOYSA-N 2 2 352.394 3.213 20 30 FGEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000542115661 504368199 /nfs/dbraw/zinc/36/81/99/504368199.db2.gz HXLBKTYXOWBMGP-UHFFFAOYSA-N 2 2 373.545 3.125 20 30 FGEDLP N#Cc1cccc(C2([NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000560165626 505008227 /nfs/dbraw/zinc/00/82/27/505008227.db2.gz GMUGIQRZMDVSMO-QFIPXVFZSA-N 2 2 361.489 3.428 20 30 FGEDLP N#Cc1cccc(C2([NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)c1 ZINC000560165626 505008231 /nfs/dbraw/zinc/00/82/31/505008231.db2.gz GMUGIQRZMDVSMO-QFIPXVFZSA-N 2 2 361.489 3.428 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](C3CC3)[C@H]3CCCCO3)CC2)cc1 ZINC000594507470 507161752 /nfs/dbraw/zinc/16/17/52/507161752.db2.gz CYDXZXMRSJYXHL-FGZHOGPDSA-N 2 2 353.510 3.460 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCN3Cc3ccccc3)CC2)cc1 ZINC000594997682 507346342 /nfs/dbraw/zinc/34/63/42/507346342.db2.gz AZOOZFNNWNZBAC-XMMPIXPASA-N 2 2 374.532 3.387 20 30 FGEDLP CC(C)[NH+]1CCC([NH+]2CCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)CC1 ZINC000595381395 507476054 /nfs/dbraw/zinc/47/60/54/507476054.db2.gz JPVVDDXLJDVIHE-FQEVSTJZSA-N 2 2 360.933 3.395 20 30 FGEDLP C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000598722138 507567536 /nfs/dbraw/zinc/56/75/36/507567536.db2.gz AELYJJOEXIDZSM-IIDMSEBBSA-N 2 2 367.896 3.362 20 30 FGEDLP C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000598722138 507567541 /nfs/dbraw/zinc/56/75/41/507567541.db2.gz AELYJJOEXIDZSM-IIDMSEBBSA-N 2 2 367.896 3.362 20 30 FGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000602545692 507743993 /nfs/dbraw/zinc/74/39/93/507743993.db2.gz NXXBQSRDGBTIGL-SFHVURJKSA-N 2 2 365.587 3.427 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CC[C@H](CC)C2)c1=S ZINC000119509560 700631421 /nfs/dbraw/zinc/63/14/21/700631421.db2.gz LNFUQWQVSCWUKX-KRWDZBQOSA-N 2 2 363.575 3.318 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CC[C@H](CC)C2)c1=S ZINC000119509560 700631423 /nfs/dbraw/zinc/63/14/23/700631423.db2.gz LNFUQWQVSCWUKX-KRWDZBQOSA-N 2 2 363.575 3.318 20 30 FGEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccc(Br)nc3)cc2)CC1 ZINC000771558939 723737550 /nfs/dbraw/zinc/73/75/50/723737550.db2.gz AGIBZXLSUYQPJF-UHFFFAOYSA-N 2 2 374.286 3.042 20 30 FGEDLP C#CCOc1cccc(Cl)c1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000778176708 724306990 /nfs/dbraw/zinc/30/69/90/724306990.db2.gz KSSAFAGVKVTKAC-UHFFFAOYSA-N 2 2 364.917 3.331 20 30 FGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000821212468 729069049 /nfs/dbraw/zinc/06/90/49/729069049.db2.gz FNZUMWOTZOCGIK-UHFFFAOYSA-N 2 2 357.885 3.359 20 30 FGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000821212468 729069050 /nfs/dbraw/zinc/06/90/50/729069050.db2.gz FNZUMWOTZOCGIK-UHFFFAOYSA-N 2 2 357.885 3.359 20 30 FGEDLP C[NH+]1CCN(c2cccc(Cl)c2C=[NH+]Nc2ccc(C#N)cc2)CC1 ZINC000915961904 758011911 /nfs/dbraw/zinc/01/19/11/758011911.db2.gz GJZQOWHXIMEFQG-UHFFFAOYSA-N 2 2 353.857 3.409 20 30 FGEDLP C#CC[NH+]1CCC(C(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)CC1 ZINC000066921499 494438538 /nfs/dbraw/zinc/43/85/38/494438538.db2.gz LTHYZEYUNUQCFU-UHFFFAOYSA-N 2 2 362.477 3.170 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000574221408 505723928 /nfs/dbraw/zinc/72/39/28/505723928.db2.gz DWOVBSHFMMPITM-FQEVSTJZSA-N 2 2 357.542 3.301 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000574221408 505723930 /nfs/dbraw/zinc/72/39/30/505723930.db2.gz DWOVBSHFMMPITM-FQEVSTJZSA-N 2 2 357.542 3.301 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3COC4(CCCCC4)O3)CC2)cc1 ZINC000126160578 494657969 /nfs/dbraw/zinc/65/79/69/494657969.db2.gz PSIQYDJBFKGLIA-OAQYLSRUSA-N 2 2 369.509 3.188 20 30 FGEDLP C=CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(Cl)s1 ZINC000114453902 495375831 /nfs/dbraw/zinc/37/58/31/495375831.db2.gz WUEYHGQYQRRTQP-UHFFFAOYSA-N 2 2 369.962 3.379 20 30 FGEDLP C=CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(Cl)s1 ZINC000114453902 495375836 /nfs/dbraw/zinc/37/58/36/495375836.db2.gz WUEYHGQYQRRTQP-UHFFFAOYSA-N 2 2 369.962 3.379 20 30 FGEDLP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000155229771 495883753 /nfs/dbraw/zinc/88/37/53/495883753.db2.gz IWGHLJNONLWOSJ-PMACEKPBSA-N 2 2 369.509 3.251 20 30 FGEDLP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000155229771 495883754 /nfs/dbraw/zinc/88/37/54/495883754.db2.gz IWGHLJNONLWOSJ-PMACEKPBSA-N 2 2 369.509 3.251 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000177911598 496248161 /nfs/dbraw/zinc/24/81/61/496248161.db2.gz VGUNILBZYZLOQA-QGZVFWFLSA-N 2 2 354.498 3.241 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3cn4ccccc4n3)CC2)cc1 ZINC000181456751 496403689 /nfs/dbraw/zinc/40/36/89/496403689.db2.gz LPORQRRBQZNNJF-UHFFFAOYSA-N 2 2 359.477 3.003 20 30 FGEDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000157606607 496514700 /nfs/dbraw/zinc/51/47/00/496514700.db2.gz GFAAIPUPLKPNAJ-OALUTQOASA-N 2 2 359.945 3.182 20 30 FGEDLP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000181813673 496555654 /nfs/dbraw/zinc/55/56/54/496555654.db2.gz ZWGYCYBQEPNWLA-SFTDATJTSA-N 2 2 353.510 3.460 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)CC2)cc1 ZINC000182037473 496644826 /nfs/dbraw/zinc/64/48/26/496644826.db2.gz CNJODVOXOFXFQB-RTWAWAEBSA-N 2 2 371.550 3.167 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000270346543 497106220 /nfs/dbraw/zinc/10/62/20/497106220.db2.gz OYFVWEBXFNQWRG-KNQAVFIVSA-N 2 2 360.461 3.414 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000270346543 497106223 /nfs/dbraw/zinc/10/62/23/497106223.db2.gz OYFVWEBXFNQWRG-KNQAVFIVSA-N 2 2 360.461 3.414 20 30 FGEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000274834506 497178136 /nfs/dbraw/zinc/17/81/36/497178136.db2.gz NDMXTRHURPNOSK-YJBOKZPZSA-N 2 2 368.506 3.058 20 30 FGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000274834506 497178137 /nfs/dbraw/zinc/17/81/37/497178137.db2.gz NDMXTRHURPNOSK-YJBOKZPZSA-N 2 2 368.506 3.058 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(OC)ccc2OCc2ccccn2)CC1 ZINC000237433044 497237071 /nfs/dbraw/zinc/23/70/71/497237071.db2.gz FZNXKHMEVSUSAT-UHFFFAOYSA-N 2 2 367.493 3.409 20 30 FGEDLP N#CCCn1cc(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000266917180 497445400 /nfs/dbraw/zinc/44/54/00/497445400.db2.gz LAWSDPUDVAZOAF-MRXNPFEDSA-N 2 2 361.449 3.340 20 30 FGEDLP N#CCCn1cc(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc21 ZINC000266917180 497445405 /nfs/dbraw/zinc/44/54/05/497445405.db2.gz LAWSDPUDVAZOAF-MRXNPFEDSA-N 2 2 361.449 3.340 20 30 FGEDLP CC[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261985183 497487810 /nfs/dbraw/zinc/48/78/10/497487810.db2.gz PWUSJQMTOVTFIU-VKJFTORMSA-N 2 2 372.517 3.140 20 30 FGEDLP COc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1OCCCC#N ZINC000267612602 497587473 /nfs/dbraw/zinc/58/74/73/497587473.db2.gz OFTPDVVONMGQOR-UHFFFAOYSA-N 2 2 354.454 3.365 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)CCc3ccccc3)CC2)cc1 ZINC000273136691 497802818 /nfs/dbraw/zinc/80/28/18/497802818.db2.gz CYZGPFAFFILLDX-HSZRJFAPSA-N 2 2 363.505 3.106 20 30 FGEDLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000578426761 505936582 /nfs/dbraw/zinc/93/65/82/505936582.db2.gz DQFNRGMCIGMFIG-CYBMUJFWSA-N 2 2 372.538 3.042 20 30 FGEDLP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000329700153 497873154 /nfs/dbraw/zinc/87/31/54/497873154.db2.gz ZOKFGRKZHFQCEH-WBVHZDCISA-N 2 2 360.502 3.278 20 30 FGEDLP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000329700153 497873160 /nfs/dbraw/zinc/87/31/60/497873160.db2.gz ZOKFGRKZHFQCEH-WBVHZDCISA-N 2 2 360.502 3.278 20 30 FGEDLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000329789400 497901761 /nfs/dbraw/zinc/90/17/61/497901761.db2.gz BXQBAVJVKQGPTG-MOPGFXCFSA-N 2 2 371.529 3.045 20 30 FGEDLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000329789400 497901767 /nfs/dbraw/zinc/90/17/67/497901767.db2.gz BXQBAVJVKQGPTG-MOPGFXCFSA-N 2 2 371.529 3.045 20 30 FGEDLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000329840045 497921713 /nfs/dbraw/zinc/92/17/13/497921713.db2.gz WFIPJVRHXFOZPY-JKSUJKDBSA-N 2 2 367.497 3.456 20 30 FGEDLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000329840045 497921719 /nfs/dbraw/zinc/92/17/19/497921719.db2.gz WFIPJVRHXFOZPY-JKSUJKDBSA-N 2 2 367.497 3.456 20 30 FGEDLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000329840044 497921772 /nfs/dbraw/zinc/92/17/72/497921772.db2.gz WFIPJVRHXFOZPY-HZPDHXFCSA-N 2 2 367.497 3.456 20 30 FGEDLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000329840044 497921777 /nfs/dbraw/zinc/92/17/77/497921777.db2.gz WFIPJVRHXFOZPY-HZPDHXFCSA-N 2 2 367.497 3.456 20 30 FGEDLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000329921292 497954177 /nfs/dbraw/zinc/95/41/77/497954177.db2.gz FNVJIAWWDGHMCW-LLVKDONJSA-N 2 2 364.352 3.199 20 30 FGEDLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000329921292 497954182 /nfs/dbraw/zinc/95/41/82/497954182.db2.gz FNVJIAWWDGHMCW-LLVKDONJSA-N 2 2 364.352 3.199 20 30 FGEDLP Cc1cc(C)c(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)[nH+]1 ZINC000332529200 498715274 /nfs/dbraw/zinc/71/52/74/498715274.db2.gz FBVWBQSZCJEBPI-UHFFFAOYSA-N 2 2 363.465 3.228 20 30 FGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000332826718 498805282 /nfs/dbraw/zinc/80/52/82/498805282.db2.gz AJZBSDQHTHFOQV-VQTJNVASSA-N 2 2 374.573 3.161 20 30 FGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000332826718 498805286 /nfs/dbraw/zinc/80/52/86/498805286.db2.gz AJZBSDQHTHFOQV-VQTJNVASSA-N 2 2 374.573 3.161 20 30 FGEDLP Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c[nH+]c1N1CCCC[C@H]1C ZINC000329262979 499086984 /nfs/dbraw/zinc/08/69/84/499086984.db2.gz BJBOPBABORRUGL-QRQLOZEOSA-N 2 2 371.529 3.483 20 30 FGEDLP Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c[nH+]c1N1CCCC[C@H]1C ZINC000329262979 499086986 /nfs/dbraw/zinc/08/69/86/499086986.db2.gz BJBOPBABORRUGL-QRQLOZEOSA-N 2 2 371.529 3.483 20 30 FGEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@H]1C ZINC000329438359 499121949 /nfs/dbraw/zinc/12/19/49/499121949.db2.gz APWWJQIWNZUPME-SJORKVTESA-N 2 2 372.513 3.206 20 30 FGEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@H]1C ZINC000329438359 499121950 /nfs/dbraw/zinc/12/19/50/499121950.db2.gz APWWJQIWNZUPME-SJORKVTESA-N 2 2 372.513 3.206 20 30 FGEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@H]1C ZINC000329438359 499121951 /nfs/dbraw/zinc/12/19/51/499121951.db2.gz APWWJQIWNZUPME-SJORKVTESA-N 2 2 372.513 3.206 20 30 FGEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@H]1C ZINC000329438359 499121952 /nfs/dbraw/zinc/12/19/52/499121952.db2.gz APWWJQIWNZUPME-SJORKVTESA-N 2 2 372.513 3.206 20 30 FGEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000329461548 499124779 /nfs/dbraw/zinc/12/47/79/499124779.db2.gz PUTVRQBVHOCDDU-FQEVSTJZSA-N 2 2 367.497 3.237 20 30 FGEDLP C[C@H](COCC(F)(F)F)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000369844800 499137601 /nfs/dbraw/zinc/13/76/01/499137601.db2.gz FUHZJEOVTDRKCN-CQSZACIVSA-N 2 2 355.404 3.080 20 30 FGEDLP C[N@H+](CCCOc1ccc(C#N)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372570668 499147138 /nfs/dbraw/zinc/14/71/38/499147138.db2.gz FFPNXKYPDIVNFR-UNMCSNQZSA-N 2 2 364.493 3.347 20 30 FGEDLP C[N@@H+](CCCOc1ccc(C#N)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372570668 499147141 /nfs/dbraw/zinc/14/71/41/499147141.db2.gz FFPNXKYPDIVNFR-UNMCSNQZSA-N 2 2 364.493 3.347 20 30 FGEDLP C[NH+](CCCOc1ccc(C#N)cc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372570668 499147143 /nfs/dbraw/zinc/14/71/43/499147143.db2.gz FFPNXKYPDIVNFR-UNMCSNQZSA-N 2 2 364.493 3.347 20 30 FGEDLP C[NH+](CCCOc1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372570668 499147144 /nfs/dbraw/zinc/14/71/44/499147144.db2.gz FFPNXKYPDIVNFR-UNMCSNQZSA-N 2 2 364.493 3.347 20 30 FGEDLP Cc1ccc2ncc(C#N)c(N3CC[N@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)c2c1 ZINC000368184635 499272465 /nfs/dbraw/zinc/27/24/65/499272465.db2.gz KTXFKVFJKBKVGS-KRWDZBQOSA-N 2 2 363.509 3.020 20 30 FGEDLP Cc1ccc2ncc(C#N)c(N3CC[N@@H+](C4CC[NH+](C)CC4)[C@@H](C)C3)c2c1 ZINC000368184635 499272467 /nfs/dbraw/zinc/27/24/67/499272467.db2.gz KTXFKVFJKBKVGS-KRWDZBQOSA-N 2 2 363.509 3.020 20 30 FGEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000372090886 499398224 /nfs/dbraw/zinc/39/82/24/499398224.db2.gz SHPNUSXAHTUFKX-RBUKOAKNSA-N 2 2 366.465 3.257 20 30 FGEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000372090886 499398226 /nfs/dbraw/zinc/39/82/26/499398226.db2.gz SHPNUSXAHTUFKX-RBUKOAKNSA-N 2 2 366.465 3.257 20 30 FGEDLP C[N@H+](CCCOc1ccc(C#N)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000372376373 499426111 /nfs/dbraw/zinc/42/61/11/499426111.db2.gz ZAWYEOGMRUZNNV-UHFFFAOYSA-N 2 2 364.493 3.319 20 30 FGEDLP C[N@@H+](CCCOc1ccc(C#N)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000372376373 499426112 /nfs/dbraw/zinc/42/61/12/499426112.db2.gz ZAWYEOGMRUZNNV-UHFFFAOYSA-N 2 2 364.493 3.319 20 30 FGEDLP N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]Cc2ccccc2Cn2cc[nH+]c2)O1 ZINC000378455419 499519069 /nfs/dbraw/zinc/51/90/69/499519069.db2.gz MWRYGNRNLXRCSA-XRXFAXGQSA-N 2 2 350.466 3.261 20 30 FGEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1 ZINC000375828516 499559660 /nfs/dbraw/zinc/55/96/60/499559660.db2.gz FOZWIMGJEOJLSO-LQBOVUBWSA-N 2 2 366.509 3.166 20 30 FGEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1 ZINC000375828516 499559661 /nfs/dbraw/zinc/55/96/61/499559661.db2.gz FOZWIMGJEOJLSO-LQBOVUBWSA-N 2 2 366.509 3.166 20 30 FGEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc1 ZINC000375828515 499559833 /nfs/dbraw/zinc/55/98/33/499559833.db2.gz FOZWIMGJEOJLSO-KPLVRAHFSA-N 2 2 366.509 3.166 20 30 FGEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc1 ZINC000375828515 499559834 /nfs/dbraw/zinc/55/98/34/499559834.db2.gz FOZWIMGJEOJLSO-KPLVRAHFSA-N 2 2 366.509 3.166 20 30 FGEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(C#N)c2F)[C@@H]1c1cnn(C)c1 ZINC000434750641 500889088 /nfs/dbraw/zinc/88/90/88/500889088.db2.gz XUUADEYFWURXIU-GHTZIAJQSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(C#N)c2F)[C@@H]1c1cnn(C)c1 ZINC000434750641 500889089 /nfs/dbraw/zinc/88/90/89/500889089.db2.gz XUUADEYFWURXIU-GHTZIAJQSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cccc(C#N)c2F)[C@@H]1c1cnn(C)c1 ZINC000434750641 500889093 /nfs/dbraw/zinc/88/90/93/500889093.db2.gz XUUADEYFWURXIU-GHTZIAJQSA-N 2 2 369.488 3.336 20 30 FGEDLP CC(C)[NH+]1CCC(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000441065594 501082271 /nfs/dbraw/zinc/08/22/71/501082271.db2.gz JFDMLEFYYRHPOS-UHFFFAOYSA-N 2 2 359.945 3.182 20 30 FGEDLP C(#CC[N@@H+]1CCC=C(c2cccnc2)C1)C[NH+]1CCC=C(c2cccnc2)C1 ZINC000451025322 501240141 /nfs/dbraw/zinc/24/01/41/501240141.db2.gz JWCWHAKKBKKHLG-UHFFFAOYSA-N 2 2 370.500 3.358 20 30 FGEDLP C(#CC[N@H+]1CCC=C(c2cccnc2)C1)C[NH+]1CCC=C(c2cccnc2)C1 ZINC000451025322 501240142 /nfs/dbraw/zinc/24/01/42/501240142.db2.gz JWCWHAKKBKKHLG-UHFFFAOYSA-N 2 2 370.500 3.358 20 30 FGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000602648142 506244210 /nfs/dbraw/zinc/24/42/10/506244210.db2.gz MBVFPJUTYMOHRB-ODIFPOPNSA-N 2 2 373.463 3.480 20 30 FGEDLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000459537715 501672413 /nfs/dbraw/zinc/67/24/13/501672413.db2.gz MXZWQXNUZCXPHW-UHFFFAOYSA-N 2 2 362.543 3.147 20 30 FGEDLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C#N)cc1F ZINC000512631987 503600025 /nfs/dbraw/zinc/60/00/25/503600025.db2.gz VNQUSXDWPQCMAN-INIZCTEOSA-N 2 2 353.441 3.380 20 30 FGEDLP C=CCC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)c1ccccc1 ZINC000537155213 503819867 /nfs/dbraw/zinc/81/98/67/503819867.db2.gz ANGCIBLQTAFFLK-NRFANRHFSA-N 2 2 367.493 3.221 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1cn2c(cccc2C)[nH+]1)C(C)C ZINC000537595946 503967498 /nfs/dbraw/zinc/96/74/98/503967498.db2.gz DZXBMGFCETUJFB-IBGZPJMESA-N 2 2 369.513 3.141 20 30 FGEDLP Cn1cc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C(C)(C)C)n1 ZINC000593692564 506734099 /nfs/dbraw/zinc/73/40/99/506734099.db2.gz FUPMBYOUBXAFDL-UHFFFAOYSA-N 2 2 365.525 3.343 20 30 FGEDLP COc1ccc(F)cc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593691588 506734948 /nfs/dbraw/zinc/73/49/48/506734948.db2.gz DWSAVUZQRDSALI-UHFFFAOYSA-N 2 2 353.441 3.460 20 30 FGEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)s1 ZINC000583573166 506857665 /nfs/dbraw/zinc/85/76/65/506857665.db2.gz MJVWIDXVDFKYOE-HNNXBMFYSA-N 2 2 354.479 3.268 20 30 FGEDLP N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)s1 ZINC000583573166 506857670 /nfs/dbraw/zinc/85/76/70/506857670.db2.gz MJVWIDXVDFKYOE-HNNXBMFYSA-N 2 2 354.479 3.268 20 30 FGEDLP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000600731634 507089313 /nfs/dbraw/zinc/08/93/13/507089313.db2.gz NNZXIVZSBZTBNL-VKJFTORMSA-N 2 2 365.880 3.116 20 30 FGEDLP C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000600731634 507089320 /nfs/dbraw/zinc/08/93/20/507089320.db2.gz NNZXIVZSBZTBNL-VKJFTORMSA-N 2 2 365.880 3.116 20 30 FGEDLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3ccc(C#N)c(Cl)c3)c2cc1C ZINC000591765833 507352262 /nfs/dbraw/zinc/35/22/62/507352262.db2.gz KPZVIANCCMQYQX-QGZVFWFLSA-N 2 2 368.868 3.329 20 30 FGEDLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(CC#N)cc[nH+]3)C[C@H]21 ZINC001165028327 721819124 /nfs/dbraw/zinc/81/91/24/721819124.db2.gz XNWKRTZPHBIHLD-CEWLAPEOSA-N 2 2 361.493 3.280 20 30 FGEDLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(CC#N)cc[nH+]3)C[C@H]21 ZINC001165028327 721819125 /nfs/dbraw/zinc/81/91/25/721819125.db2.gz XNWKRTZPHBIHLD-CEWLAPEOSA-N 2 2 361.493 3.280 20 30 FGEDLP COc1cccc(SCCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000853674275 731740688 /nfs/dbraw/zinc/74/06/88/731740688.db2.gz VQWSRCKKJUZVJW-UHFFFAOYSA-N 2 2 359.495 3.186 20 30 FGEDLP C=C(Br)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856598205 732041007 /nfs/dbraw/zinc/04/10/07/732041007.db2.gz GJNKUPFBDNAPBI-QGZVFWFLSA-N 2 2 368.319 3.284 20 30 FGEDLP C=C(Br)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856598205 732041012 /nfs/dbraw/zinc/04/10/12/732041012.db2.gz GJNKUPFBDNAPBI-QGZVFWFLSA-N 2 2 368.319 3.284 20 30 FGEDLP C=C(Br)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856598205 732041021 /nfs/dbraw/zinc/04/10/21/732041021.db2.gz GJNKUPFBDNAPBI-QGZVFWFLSA-N 2 2 368.319 3.284 20 30 FGEDLP C=C(Br)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856598205 732041025 /nfs/dbraw/zinc/04/10/25/732041025.db2.gz GJNKUPFBDNAPBI-QGZVFWFLSA-N 2 2 368.319 3.284 20 30 FGEDLP N#Cc1ccc2ncc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)n2c1 ZINC000093016641 494809574 /nfs/dbraw/zinc/80/95/74/494809574.db2.gz LOTQEQMKKYKJCC-LJQANCHMSA-N 2 2 351.498 3.294 20 30 FGEDLP N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)n2c1 ZINC000093016641 494809585 /nfs/dbraw/zinc/80/95/85/494809585.db2.gz LOTQEQMKKYKJCC-LJQANCHMSA-N 2 2 351.498 3.294 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109792756 494919227 /nfs/dbraw/zinc/91/92/27/494919227.db2.gz LPDNTEAZRLQKNN-UHFFFAOYSA-N 2 2 365.481 3.084 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129672555 495278978 /nfs/dbraw/zinc/27/89/78/495278978.db2.gz GJFOXJWEVBPMCC-AOIWGVFYSA-N 2 2 372.538 3.431 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129672555 495278980 /nfs/dbraw/zinc/27/89/80/495278980.db2.gz GJFOXJWEVBPMCC-AOIWGVFYSA-N 2 2 372.538 3.431 20 30 FGEDLP N#Cc1c(F)cccc1N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000170643326 495543606 /nfs/dbraw/zinc/54/36/06/495543606.db2.gz MTKPIQOOTOIHDR-UHFFFAOYSA-N 2 2 361.424 3.205 20 30 FGEDLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)CC1 ZINC000177686165 496159065 /nfs/dbraw/zinc/15/90/65/496159065.db2.gz MGKXEMLVSDTEJE-UHFFFAOYSA-N 2 2 354.523 3.047 20 30 FGEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000157606461 496514499 /nfs/dbraw/zinc/51/44/99/496514499.db2.gz GFAAIPUPLKPNAJ-KDURUIRLSA-N 2 2 359.945 3.182 20 30 FGEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000157606461 496514508 /nfs/dbraw/zinc/51/45/08/496514508.db2.gz GFAAIPUPLKPNAJ-KDURUIRLSA-N 2 2 359.945 3.182 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181717194 496514879 /nfs/dbraw/zinc/51/48/79/496514879.db2.gz SQZMDIRACFIGED-UHFFFAOYSA-N 3 2 352.526 3.153 20 30 FGEDLP Cc1cc([C@](C)(O)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)o1 ZINC000181807469 496553238 /nfs/dbraw/zinc/55/32/38/496553238.db2.gz AHESCXXZKXWWOX-JOCHJYFZSA-N 2 2 367.493 3.230 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOc3ccc(F)c(F)c3)CC2)cc1 ZINC000181941929 496606964 /nfs/dbraw/zinc/60/69/64/496606964.db2.gz SPRXYNLQYTWACM-UHFFFAOYSA-N 2 2 371.431 3.469 20 30 FGEDLP C=CCCCCCN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000176105210 496685682 /nfs/dbraw/zinc/68/56/82/496685682.db2.gz XNMDIHHGIRXVTN-UHFFFAOYSA-N 2 2 364.578 3.325 20 30 FGEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000247007362 496750602 /nfs/dbraw/zinc/75/06/02/496750602.db2.gz IVTYNHVWSDWYNQ-SYYKKAFVSA-N 2 2 370.541 3.026 20 30 FGEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000247007362 496750603 /nfs/dbraw/zinc/75/06/03/496750603.db2.gz IVTYNHVWSDWYNQ-SYYKKAFVSA-N 2 2 370.541 3.026 20 30 FGEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247007362 496750604 /nfs/dbraw/zinc/75/06/04/496750604.db2.gz IVTYNHVWSDWYNQ-SYYKKAFVSA-N 2 2 370.541 3.026 20 30 FGEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247007362 496750607 /nfs/dbraw/zinc/75/06/07/496750607.db2.gz IVTYNHVWSDWYNQ-SYYKKAFVSA-N 2 2 370.541 3.026 20 30 FGEDLP N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)c1 ZINC000271724971 497430393 /nfs/dbraw/zinc/43/03/93/497430393.db2.gz LCIRYSILOQBBTP-UHFFFAOYSA-N 2 2 359.433 3.057 20 30 FGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](O)c1cccc(F)c1 ZINC000271845473 497468557 /nfs/dbraw/zinc/46/85/57/497468557.db2.gz HNHUEDBWBNXSIV-AOMKIAJQSA-N 2 2 367.468 3.373 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCc4[nH]c(=O)ccc43)CC2)cc1 ZINC000271899362 497482801 /nfs/dbraw/zinc/48/28/01/497482801.db2.gz VFCWHEPKYMAEGY-FQEVSTJZSA-N 2 2 362.477 3.290 20 30 FGEDLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C#N)c(F)c1 ZINC000272162830 497552859 /nfs/dbraw/zinc/55/28/59/497552859.db2.gz BXXZSICPUOJPQJ-KBXCAEBGSA-N 2 2 353.445 3.406 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)[C@@H](C)C2)s1 ZINC000364469304 497973266 /nfs/dbraw/zinc/97/32/66/497973266.db2.gz UREORYQXXZVPTK-DJJJIMSYSA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)[C@@H](C)C2)s1 ZINC000364469304 497973270 /nfs/dbraw/zinc/97/32/70/497973270.db2.gz UREORYQXXZVPTK-DJJJIMSYSA-N 2 2 358.486 3.463 20 30 FGEDLP C[NH+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285549837 498125666 /nfs/dbraw/zinc/12/56/66/498125666.db2.gz QRZBTRZCIOQJEN-JJTKIYQPSA-N 2 2 374.916 3.144 20 30 FGEDLP C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285549837 498125654 /nfs/dbraw/zinc/12/56/54/498125654.db2.gz QRZBTRZCIOQJEN-JJTKIYQPSA-N 2 2 374.916 3.144 20 30 FGEDLP C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285549837 498125659 /nfs/dbraw/zinc/12/56/59/498125659.db2.gz QRZBTRZCIOQJEN-JJTKIYQPSA-N 2 2 374.916 3.144 20 30 FGEDLP C[NH+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285549837 498125670 /nfs/dbraw/zinc/12/56/70/498125670.db2.gz QRZBTRZCIOQJEN-JJTKIYQPSA-N 2 2 374.916 3.144 20 30 FGEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2[nH+]ccn2CC)CC1 ZINC000281716820 498246764 /nfs/dbraw/zinc/24/67/64/498246764.db2.gz QJZDZLUJZSQDIM-SFHVURJKSA-N 2 2 359.518 3.180 20 30 FGEDLP Cc1[nH+]c2n(c1CN1CC[NH+](CCCCC(C)(C)C#N)CC1)CCCC2 ZINC000365227058 498361928 /nfs/dbraw/zinc/36/19/28/498361928.db2.gz LDCNUWHGXWUYFR-UHFFFAOYSA-N 2 2 357.546 3.366 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000361666277 498417063 /nfs/dbraw/zinc/41/70/63/498417063.db2.gz DLBBBPYZJLKFGN-ROUUACIJSA-N 2 2 371.529 3.202 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000361666277 498417069 /nfs/dbraw/zinc/41/70/69/498417069.db2.gz DLBBBPYZJLKFGN-ROUUACIJSA-N 2 2 371.529 3.202 20 30 FGEDLP C#Cc1ccc(C[NH2+]C2(c3noc(C[NH+](CC)CC)n3)CCCC2)cc1 ZINC000290198043 498461293 /nfs/dbraw/zinc/46/12/93/498461293.db2.gz XCFZGLWMJMGPKV-UHFFFAOYSA-N 2 2 352.482 3.452 20 30 FGEDLP Cc1cc(C#N)nc(Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000287355471 498727786 /nfs/dbraw/zinc/72/77/86/498727786.db2.gz POPJEUOMHPQWCN-UHFFFAOYSA-N 2 2 350.470 3.178 20 30 FGEDLP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328610345 498874583 /nfs/dbraw/zinc/87/45/83/498874583.db2.gz NQEQPBQBAFWMTA-GOSISDBHSA-N 2 2 359.518 3.300 20 30 FGEDLP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328610345 498874590 /nfs/dbraw/zinc/87/45/90/498874590.db2.gz NQEQPBQBAFWMTA-GOSISDBHSA-N 2 2 359.518 3.300 20 30 FGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000328889085 498975776 /nfs/dbraw/zinc/97/57/76/498975776.db2.gz QOMSKTAIBMLOSO-QRQLOZEOSA-N 2 2 367.497 3.339 20 30 FGEDLP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1c1ccc(F)c(F)c1 ZINC000329044535 499024534 /nfs/dbraw/zinc/02/45/34/499024534.db2.gz UJQUGUMIIPHGQK-JEBQAFNWSA-N 2 2 360.408 3.126 20 30 FGEDLP C[C@@H]1CC[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000329181902 499065573 /nfs/dbraw/zinc/06/55/73/499065573.db2.gz NOLXINWJUVJYIN-UKRRQHHQSA-N 2 2 359.499 3.390 20 30 FGEDLP C[C@@H]1CC[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000329181902 499065576 /nfs/dbraw/zinc/06/55/76/499065576.db2.gz NOLXINWJUVJYIN-UKRRQHHQSA-N 2 2 359.499 3.390 20 30 FGEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)CNC(=O)C3CCCCC3)CC2)CC1 ZINC000329265116 499087004 /nfs/dbraw/zinc/08/70/04/499087004.db2.gz FCYURZSULFPKAH-UHFFFAOYSA-N 2 2 364.534 3.038 20 30 FGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000369218957 499378732 /nfs/dbraw/zinc/37/87/32/499378732.db2.gz BBSBKTFJVVDFHR-RXVVDRJESA-N 2 2 364.493 3.374 20 30 FGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000369218957 499378734 /nfs/dbraw/zinc/37/87/34/499378734.db2.gz BBSBKTFJVVDFHR-RXVVDRJESA-N 2 2 364.493 3.374 20 30 FGEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000375785271 499555482 /nfs/dbraw/zinc/55/54/82/499555482.db2.gz BCKJMWRBHFCVBO-MSOLQXFVSA-N 2 2 371.529 3.375 20 30 FGEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000375785271 499555484 /nfs/dbraw/zinc/55/54/84/499555484.db2.gz BCKJMWRBHFCVBO-MSOLQXFVSA-N 2 2 371.529 3.375 20 30 FGEDLP N#CC1(CCC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCOCC1 ZINC000376593947 499621326 /nfs/dbraw/zinc/62/13/26/499621326.db2.gz BQVBGEXUPUXYKG-GOSISDBHSA-N 2 2 356.514 3.499 20 30 FGEDLP N#CC1(CCC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCOCC1 ZINC000376593947 499621327 /nfs/dbraw/zinc/62/13/27/499621327.db2.gz BQVBGEXUPUXYKG-GOSISDBHSA-N 2 2 356.514 3.499 20 30 FGEDLP COc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1OCCCC#N ZINC000377230986 499672379 /nfs/dbraw/zinc/67/23/79/499672379.db2.gz HPOYMHVIBXYFPE-UHFFFAOYSA-N 2 2 354.454 3.480 20 30 FGEDLP COc1cc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)ccc1C#N ZINC000414716408 499822463 /nfs/dbraw/zinc/82/24/63/499822463.db2.gz OPEUWYXAGOOEFS-HXUWFJFHSA-N 2 2 350.466 3.106 20 30 FGEDLP COc1cc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)ccc1C#N ZINC000414716408 499822464 /nfs/dbraw/zinc/82/24/64/499822464.db2.gz OPEUWYXAGOOEFS-HXUWFJFHSA-N 2 2 350.466 3.106 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1OC ZINC000415037964 499856860 /nfs/dbraw/zinc/85/68/60/499856860.db2.gz LPWXBGMGMXKRKZ-HNNXBMFYSA-N 2 2 369.303 3.253 20 30 FGEDLP C=CCOc1cccc(C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000415138373 499869000 /nfs/dbraw/zinc/86/90/00/499869000.db2.gz UYWFXCWLIMWQNZ-UHFFFAOYSA-N 3 2 365.521 3.335 20 30 FGEDLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)cc1 ZINC000447540509 500620363 /nfs/dbraw/zinc/62/03/63/500620363.db2.gz JIAQWCGPSJWRAP-XPWALMASSA-N 2 2 363.505 3.482 20 30 FGEDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)cc1 ZINC000447540509 500620365 /nfs/dbraw/zinc/62/03/65/500620365.db2.gz JIAQWCGPSJWRAP-XPWALMASSA-N 2 2 363.505 3.482 20 30 FGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)C[C@@H]1C ZINC000444229932 500820673 /nfs/dbraw/zinc/82/06/73/500820673.db2.gz XVLXKYCXKLHKQP-JKSUJKDBSA-N 2 2 360.527 3.045 20 30 FGEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)C[C@@H]1C ZINC000444229932 500820676 /nfs/dbraw/zinc/82/06/76/500820676.db2.gz XVLXKYCXKLHKQP-JKSUJKDBSA-N 2 2 360.527 3.045 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)C[C@@H]1C ZINC000444229932 500820679 /nfs/dbraw/zinc/82/06/79/500820679.db2.gz XVLXKYCXKLHKQP-JKSUJKDBSA-N 2 2 360.527 3.045 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C[C@@H]1C ZINC000444229932 500820682 /nfs/dbraw/zinc/82/06/82/500820682.db2.gz XVLXKYCXKLHKQP-JKSUJKDBSA-N 2 2 360.527 3.045 20 30 FGEDLP N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000459437042 501653893 /nfs/dbraw/zinc/65/38/93/501653893.db2.gz RHSPEGLRACFZRT-INIZCTEOSA-N 2 2 365.437 3.379 20 30 FGEDLP N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000459437042 501653895 /nfs/dbraw/zinc/65/38/95/501653895.db2.gz RHSPEGLRACFZRT-INIZCTEOSA-N 2 2 365.437 3.379 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21)C(C)C ZINC000502632662 503242318 /nfs/dbraw/zinc/24/23/18/503242318.db2.gz WLTZIHVFZQHQON-MOPGFXCFSA-N 2 2 373.545 3.067 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3OC)nc2)CC1 ZINC000490894542 503242442 /nfs/dbraw/zinc/24/24/42/503242442.db2.gz NHYATPGJCYUMKR-UHFFFAOYSA-N 2 2 352.482 3.282 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21)C(C)C ZINC000502632665 503242599 /nfs/dbraw/zinc/24/25/99/503242599.db2.gz WLTZIHVFZQHQON-RTBURBONSA-N 2 2 373.545 3.067 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378725 503398082 /nfs/dbraw/zinc/39/80/82/503398082.db2.gz UDHWGCBGOFDYKL-QZTJIDSGSA-N 2 2 358.530 3.212 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378725 503398085 /nfs/dbraw/zinc/39/80/85/503398085.db2.gz UDHWGCBGOFDYKL-QZTJIDSGSA-N 2 2 358.530 3.212 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(O)c(OC)cc2Br)CC1 ZINC000494696242 503593824 /nfs/dbraw/zinc/59/38/24/503593824.db2.gz GHIQYYSJMGKFFZ-UHFFFAOYSA-N 2 2 369.303 3.293 20 30 FGEDLP N#Cc1ccc(NC(=O)CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000541201000 504040096 /nfs/dbraw/zinc/04/00/96/504040096.db2.gz GYEUDXFQLGLFDI-UHFFFAOYSA-N 2 2 365.481 3.276 20 30 FGEDLP FC(F)(F)C1=CC[NH+](CC#CC[N@H+]2CC=C(C(F)(F)F)CC2)CC1 ZINC000563554698 505175276 /nfs/dbraw/zinc/17/52/76/505175276.db2.gz PIVPKOUCUMQANR-UHFFFAOYSA-N 2 2 352.322 3.379 20 30 FGEDLP FC(F)(F)C1=CC[NH+](CC#CC[N@@H+]2CC=C(C(F)(F)F)CC2)CC1 ZINC000563554698 505175280 /nfs/dbraw/zinc/17/52/80/505175280.db2.gz PIVPKOUCUMQANR-UHFFFAOYSA-N 2 2 352.322 3.379 20 30 FGEDLP C[C@H]1C[C@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000567271640 505414714 /nfs/dbraw/zinc/41/47/14/505414714.db2.gz CJNGLELIEAQPAB-LAUBAEHRSA-N 2 2 374.492 3.086 20 30 FGEDLP C[C@H]1C[C@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)CC[N@H+]1Cc1ccccc1 ZINC000567271640 505414719 /nfs/dbraw/zinc/41/47/19/505414719.db2.gz CJNGLELIEAQPAB-LAUBAEHRSA-N 2 2 374.492 3.086 20 30 FGEDLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc3c(C#N)cnn3c2)CC[NH+]1Cc1ccccc1 ZINC000567271640 505414724 /nfs/dbraw/zinc/41/47/24/505414724.db2.gz CJNGLELIEAQPAB-LAUBAEHRSA-N 2 2 374.492 3.086 20 30 FGEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)CC[NH+]1Cc1ccccc1 ZINC000567271640 505414730 /nfs/dbraw/zinc/41/47/30/505414730.db2.gz CJNGLELIEAQPAB-LAUBAEHRSA-N 2 2 374.492 3.086 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1CCC(CCC#N)CC1 ZINC000567895879 505570451 /nfs/dbraw/zinc/57/04/51/505570451.db2.gz BEQGACYGRBVBTA-HNNXBMFYSA-N 2 2 351.454 3.419 20 30 FGEDLP CN(C)c1[nH+]ccc2cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc21 ZINC000603019491 506384893 /nfs/dbraw/zinc/38/48/93/506384893.db2.gz BCCNQVIMBZOTLF-UHFFFAOYSA-N 2 2 368.485 3.000 20 30 FGEDLP Cc1cccc2c1OC[C@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000589351553 506526135 /nfs/dbraw/zinc/52/61/35/506526135.db2.gz KCISOXXNZPKBGS-JOCHJYFZSA-N 2 2 361.489 3.424 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCCC34CCOCC4)CC2)c1 ZINC000593695619 506736652 /nfs/dbraw/zinc/73/66/52/506736652.db2.gz SPVMQSHUFQNDMF-OAQYLSRUSA-N 2 2 353.510 3.462 20 30 FGEDLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000600722508 507081729 /nfs/dbraw/zinc/08/17/29/507081729.db2.gz QRTJMOPEEAABNB-YLJYHZDGSA-N 2 2 367.493 3.017 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccnn3CC3CCC3)CC2)c1 ZINC000601130199 507270905 /nfs/dbraw/zinc/27/09/05/507270905.db2.gz GRIFTLQQALHODE-UHFFFAOYSA-N 2 2 363.509 3.309 20 30 FGEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ncc(C#N)c4ccsc43)CC2)CC1 ZINC000601131242 507271207 /nfs/dbraw/zinc/27/12/07/507271207.db2.gz IMBPNVRNTZKKMI-UHFFFAOYSA-N 2 2 369.538 3.163 20 30 FGEDLP COC(=O)c1cccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1C#N ZINC000611126716 507526879 /nfs/dbraw/zinc/52/68/79/507526879.db2.gz KYZUQQYLBTVYJK-UHFFFAOYSA-N 2 2 369.509 3.433 20 30 FGEDLP COc1cc(C[NH+]2CC[C@@](C)(C#N)C2)cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595840366 507709986 /nfs/dbraw/zinc/70/99/86/507709986.db2.gz AEKUXZFVIFMSON-SFTDATJTSA-N 2 2 352.482 3.166 20 30 FGEDLP COc1cc(C[NH+]2CC[C@@](C)(C#N)C2)cc(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595840366 507709993 /nfs/dbraw/zinc/70/99/93/507709993.db2.gz AEKUXZFVIFMSON-SFTDATJTSA-N 2 2 352.482 3.166 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000160504954 705255114 /nfs/dbraw/zinc/25/51/14/705255114.db2.gz ALAZGIATIFYCJE-SJLPKXTDSA-N 2 2 351.535 3.405 20 30 FGEDLP C[NH+]=C(NCc1ccc(Cl)s1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179225397 705693605 /nfs/dbraw/zinc/69/36/05/705693605.db2.gz IARIYKOFPPOGCD-JSGCOSHPSA-N 2 2 351.907 3.257 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180488797 705742623 /nfs/dbraw/zinc/74/26/23/705742623.db2.gz PZHBVGDQQHSGLL-AEFFLSMTSA-N 2 2 351.535 3.310 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209983 713905536 /nfs/dbraw/zinc/90/55/36/713905536.db2.gz SFSVVKLTGKGRFL-HNNXBMFYSA-N 2 2 358.511 3.254 20 30 FGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1OC ZINC000629657431 716332099 /nfs/dbraw/zinc/33/20/99/716332099.db2.gz XSJXTYRYNFRYPM-LSDHHAIUSA-N 2 2 358.404 3.219 20 30 FGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1OC ZINC000629657431 716332102 /nfs/dbraw/zinc/33/21/02/716332102.db2.gz XSJXTYRYNFRYPM-LSDHHAIUSA-N 2 2 358.404 3.219 20 30 FGEDLP CN(c1ccccc1C=[NH+]Nc1ccncc1Cl)C1CC[NH+](C)CC1 ZINC000756841937 722970676 /nfs/dbraw/zinc/97/06/76/722970676.db2.gz DLDHQQOPUHZORR-UHFFFAOYSA-N 2 2 357.889 3.133 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788247327 725052789 /nfs/dbraw/zinc/05/27/89/725052789.db2.gz HQQAAEDRLZJUPQ-MSOLQXFVSA-N 2 2 351.535 3.452 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000576707489 505575319 /nfs/dbraw/zinc/57/53/19/505575319.db2.gz QHNLYVAOOOUKEQ-UHFFFAOYSA-N 2 2 353.426 3.355 20 30 FGEDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)CC1 ZINC000580079800 505673892 /nfs/dbraw/zinc/67/38/92/505673892.db2.gz DFBIDTZUPYADOL-SFHVURJKSA-N 2 2 356.470 3.410 20 30 FGEDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)CC1 ZINC000580079800 505673894 /nfs/dbraw/zinc/67/38/94/505673894.db2.gz DFBIDTZUPYADOL-SFHVURJKSA-N 2 2 356.470 3.410 20 30 FGEDLP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(C#N)cc1F ZINC000580350631 505738296 /nfs/dbraw/zinc/73/82/96/505738296.db2.gz ANAORUGJCRVXDS-JTSKRJEESA-N 2 2 366.484 3.337 20 30 FGEDLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OCCCC#N ZINC000093598119 494903115 /nfs/dbraw/zinc/90/31/15/494903115.db2.gz HNZLJWDJWLVHCH-IBGZPJMESA-N 2 2 357.498 3.295 20 30 FGEDLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OCCCC#N ZINC000093598119 494903117 /nfs/dbraw/zinc/90/31/17/494903117.db2.gz HNZLJWDJWLVHCH-IBGZPJMESA-N 2 2 357.498 3.295 20 30 FGEDLP C=CCOc1ccc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)cc1OC ZINC000120907835 495483300 /nfs/dbraw/zinc/48/33/00/495483300.db2.gz WLPYCPSHNXUSSM-UHFFFAOYSA-N 2 2 353.466 3.286 20 30 FGEDLP C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695286 495684030 /nfs/dbraw/zinc/68/40/30/495684030.db2.gz XKRIJECOPRWVME-YJBOKZPZSA-N 2 2 365.481 3.351 20 30 FGEDLP C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695286 495684033 /nfs/dbraw/zinc/68/40/33/495684033.db2.gz XKRIJECOPRWVME-YJBOKZPZSA-N 2 2 365.481 3.351 20 30 FGEDLP C[C@@H](O[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1)c1nc(C2CC2)no1 ZINC000174131605 495830986 /nfs/dbraw/zinc/83/09/86/495830986.db2.gz FPMUTVIFVZRFBB-CQSZACIVSA-N 2 2 369.469 3.331 20 30 FGEDLP N#CCCN(C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1cccc(Cl)c1 ZINC000176913309 495838964 /nfs/dbraw/zinc/83/89/64/495838964.db2.gz STMHFJVOPGWCNE-UHFFFAOYSA-N 2 2 371.872 3.120 20 30 FGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](O)Cc1ccccc1 ZINC000182049203 496649882 /nfs/dbraw/zinc/64/98/82/496649882.db2.gz BVACAXAEZAKWLK-FDDCHVKYSA-N 2 2 363.505 3.104 20 30 FGEDLP C=CCC[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000188833827 496923635 /nfs/dbraw/zinc/92/36/35/496923635.db2.gz OLVIQIFWVIGQSZ-JOCHJYFZSA-N 2 2 369.553 3.411 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOc3ccccc3F)CC2)cc1 ZINC000271827287 497462243 /nfs/dbraw/zinc/46/22/43/497462243.db2.gz DGBBUUCDCLHITQ-UHFFFAOYSA-N 2 2 353.441 3.330 20 30 FGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329804673 497908715 /nfs/dbraw/zinc/90/87/15/497908715.db2.gz KIMFECXJYZQTJU-OXQOHEQNSA-N 2 2 367.497 3.024 20 30 FGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329804673 497908723 /nfs/dbraw/zinc/90/87/23/497908723.db2.gz KIMFECXJYZQTJU-OXQOHEQNSA-N 2 2 367.497 3.024 20 30 FGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329804673 497908729 /nfs/dbraw/zinc/90/87/29/497908729.db2.gz KIMFECXJYZQTJU-OXQOHEQNSA-N 2 2 367.497 3.024 20 30 FGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329804673 497908734 /nfs/dbraw/zinc/90/87/34/497908734.db2.gz KIMFECXJYZQTJU-OXQOHEQNSA-N 2 2 367.497 3.024 20 30 FGEDLP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330037385 497999544 /nfs/dbraw/zinc/99/95/44/497999544.db2.gz ZBXSQTVYDHSOMF-MRXNPFEDSA-N 2 2 359.518 3.300 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000330250216 498078617 /nfs/dbraw/zinc/07/86/17/498078617.db2.gz MWCSPBJYKNTIKR-SJCJKPOMSA-N 2 2 367.396 3.012 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000330250216 498078625 /nfs/dbraw/zinc/07/86/25/498078625.db2.gz MWCSPBJYKNTIKR-SJCJKPOMSA-N 2 2 367.396 3.012 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000330250216 498078633 /nfs/dbraw/zinc/07/86/33/498078633.db2.gz MWCSPBJYKNTIKR-SJCJKPOMSA-N 2 2 367.396 3.012 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000330250216 498078639 /nfs/dbraw/zinc/07/86/39/498078639.db2.gz MWCSPBJYKNTIKR-SJCJKPOMSA-N 2 2 367.396 3.012 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000363568127 498882283 /nfs/dbraw/zinc/88/22/83/498882283.db2.gz OILMLRKKUQTORM-OAHLLOKOSA-N 2 2 357.483 3.043 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000363568127 498882289 /nfs/dbraw/zinc/88/22/89/498882289.db2.gz OILMLRKKUQTORM-OAHLLOKOSA-N 2 2 357.483 3.043 20 30 FGEDLP COc1ccc2occ(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2c1 ZINC000328730033 498918306 /nfs/dbraw/zinc/91/83/06/498918306.db2.gz WHWDNKXUSRVAAJ-UHFFFAOYSA-N 2 2 371.481 3.305 20 30 FGEDLP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)c2)C[C@@H](C)O1 ZINC000328933732 498990720 /nfs/dbraw/zinc/99/07/20/498990720.db2.gz DYQCVZBBBHNGGI-NUJGCVRESA-N 2 2 368.481 3.343 20 30 FGEDLP C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000329242717 499082047 /nfs/dbraw/zinc/08/20/47/499082047.db2.gz AIESJAAFCZYAHU-QXAKKESOSA-N 2 2 352.482 3.313 20 30 FGEDLP C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000329242717 499082051 /nfs/dbraw/zinc/08/20/51/499082051.db2.gz AIESJAAFCZYAHU-QXAKKESOSA-N 2 2 352.482 3.313 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1OCC ZINC000415015007 499855164 /nfs/dbraw/zinc/85/51/64/499855164.db2.gz XNQXDVKBZIOQKM-NEPJUHHUSA-N 2 2 357.292 3.238 20 30 FGEDLP C=CCOc1ccccc1C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428435066 500510269 /nfs/dbraw/zinc/51/02/69/500510269.db2.gz YKIUUNCXKPYSCY-HSZRJFAPSA-N 2 2 366.505 3.320 20 30 FGEDLP C=CCOc1ccccc1C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428435066 500510271 /nfs/dbraw/zinc/51/02/71/500510271.db2.gz YKIUUNCXKPYSCY-HSZRJFAPSA-N 2 2 366.505 3.320 20 30 FGEDLP C=CCOc1ccccc1C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428435066 500510273 /nfs/dbraw/zinc/51/02/73/500510273.db2.gz YKIUUNCXKPYSCY-HSZRJFAPSA-N 2 2 366.505 3.320 20 30 FGEDLP C=CCOc1ccccc1C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428435066 500510275 /nfs/dbraw/zinc/51/02/75/500510275.db2.gz YKIUUNCXKPYSCY-HSZRJFAPSA-N 2 2 366.505 3.320 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444210852 500818246 /nfs/dbraw/zinc/81/82/46/500818246.db2.gz IDJHUDMIKLBAAS-KBNVZVJVSA-N 2 2 374.573 3.114 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444210852 500818250 /nfs/dbraw/zinc/81/82/50/500818250.db2.gz IDJHUDMIKLBAAS-KBNVZVJVSA-N 2 2 374.573 3.114 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)CC1 ZINC000463744688 501810284 /nfs/dbraw/zinc/81/02/84/501810284.db2.gz LFNMFHLZXOQUHN-UHFFFAOYSA-N 2 2 368.525 3.297 20 30 FGEDLP N#Cc1c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn2ccccc12 ZINC000470993467 501884997 /nfs/dbraw/zinc/88/49/97/501884997.db2.gz CEIOBXHWJZFJCH-BGYRXZFFSA-N 2 2 356.473 3.375 20 30 FGEDLP N#Cc1c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn2ccccc12 ZINC000470993467 501885004 /nfs/dbraw/zinc/88/50/04/501885004.db2.gz CEIOBXHWJZFJCH-BGYRXZFFSA-N 2 2 356.473 3.375 20 30 FGEDLP N#Cc1c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn2ccccc12 ZINC000470993467 501885011 /nfs/dbraw/zinc/88/50/11/501885011.db2.gz CEIOBXHWJZFJCH-BGYRXZFFSA-N 2 2 356.473 3.375 20 30 FGEDLP N#Cc1c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn2ccccc12 ZINC000470993467 501885015 /nfs/dbraw/zinc/88/50/15/501885015.db2.gz CEIOBXHWJZFJCH-BGYRXZFFSA-N 2 2 356.473 3.375 20 30 FGEDLP N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000506266803 503082205 /nfs/dbraw/zinc/08/22/05/503082205.db2.gz FDZJDHMNVIQGDL-UHFFFAOYSA-N 2 2 371.488 3.452 20 30 FGEDLP N#Cc1ccc(CN2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000506266803 503082209 /nfs/dbraw/zinc/08/22/09/503082209.db2.gz FDZJDHMNVIQGDL-UHFFFAOYSA-N 2 2 371.488 3.452 20 30 FGEDLP CN(C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1(C#N)CCCCC1 ZINC000491060417 503268032 /nfs/dbraw/zinc/26/80/32/503268032.db2.gz XCBXWXHHJUSNPQ-FQEVSTJZSA-N 2 2 374.573 3.259 20 30 FGEDLP CN(C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1(C#N)CCCCC1 ZINC000491060417 503268035 /nfs/dbraw/zinc/26/80/35/503268035.db2.gz XCBXWXHHJUSNPQ-FQEVSTJZSA-N 2 2 374.573 3.259 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512278794 503507661 /nfs/dbraw/zinc/50/76/61/503507661.db2.gz RLSFZXPIMZQZCQ-QFIPXVFZSA-N 2 2 355.526 3.009 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512278794 503507664 /nfs/dbraw/zinc/50/76/64/503507664.db2.gz RLSFZXPIMZQZCQ-QFIPXVFZSA-N 2 2 355.526 3.009 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512278794 503507669 /nfs/dbraw/zinc/50/76/69/503507669.db2.gz RLSFZXPIMZQZCQ-QFIPXVFZSA-N 2 2 355.526 3.009 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512278794 503507673 /nfs/dbraw/zinc/50/76/73/503507673.db2.gz RLSFZXPIMZQZCQ-QFIPXVFZSA-N 2 2 355.526 3.009 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512287273 503510001 /nfs/dbraw/zinc/51/00/01/503510001.db2.gz SBTHGWIVRNTGHY-REWPJTCUSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512287273 503510008 /nfs/dbraw/zinc/51/00/08/503510008.db2.gz SBTHGWIVRNTGHY-REWPJTCUSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512287273 503510011 /nfs/dbraw/zinc/51/00/11/503510011.db2.gz SBTHGWIVRNTGHY-REWPJTCUSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512287273 503510013 /nfs/dbraw/zinc/51/00/13/503510013.db2.gz SBTHGWIVRNTGHY-REWPJTCUSA-N 2 2 369.553 3.398 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC[C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000538407676 504237919 /nfs/dbraw/zinc/23/79/19/504237919.db2.gz JRIGDQTWWAAYHS-IFMALSPDSA-N 2 2 355.526 3.444 20 30 FGEDLP N#Cc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3Br)CC2)cc1 ZINC000545947968 504650763 /nfs/dbraw/zinc/65/07/63/504650763.db2.gz ILCKUJUKRJDVME-UHFFFAOYSA-N 2 2 371.282 3.428 20 30 FGEDLP N#Cc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3Br)CC2)cc1 ZINC000545947968 504650766 /nfs/dbraw/zinc/65/07/66/504650766.db2.gz ILCKUJUKRJDVME-UHFFFAOYSA-N 2 2 371.282 3.428 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)c1 ZINC000593323985 506541979 /nfs/dbraw/zinc/54/19/79/506541979.db2.gz WRMKNVFREYYWFT-YPAWHYETSA-N 3 2 352.526 3.033 20 30 FGEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c(F)c1 ZINC000593692053 506734461 /nfs/dbraw/zinc/73/44/61/506734461.db2.gz WUOGQCULZVQQKA-UHFFFAOYSA-N 2 2 353.441 3.460 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccc4c3OCCO4)CC2)c1 ZINC000593692328 506734765 /nfs/dbraw/zinc/73/47/65/506734765.db2.gz BMEQXSSMUBIZFI-UHFFFAOYSA-N 2 2 363.461 3.084 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCCC34CCOCC4)CC2)c1 ZINC000593695618 506736705 /nfs/dbraw/zinc/73/67/05/506736705.db2.gz SPVMQSHUFQNDMF-NRFANRHFSA-N 2 2 353.510 3.462 20 30 FGEDLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(C(C)(C)C#N)cc3)[nH+]c2)C1 ZINC000593945447 506841403 /nfs/dbraw/zinc/84/14/03/506841403.db2.gz NEIOJXDTHIJFRS-FQEVSTJZSA-N 2 2 363.509 3.057 20 30 FGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1C ZINC000609333994 506856777 /nfs/dbraw/zinc/85/67/77/506856777.db2.gz KNZXKXTXELNVMS-IBGZPJMESA-N 2 2 365.481 3.084 20 30 FGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1C ZINC000609333994 506856783 /nfs/dbraw/zinc/85/67/83/506856783.db2.gz KNZXKXTXELNVMS-IBGZPJMESA-N 2 2 365.481 3.084 20 30 FGEDLP N#Cc1csc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000595000937 507348048 /nfs/dbraw/zinc/34/80/48/507348048.db2.gz QSEXIKGFIWVSIH-KRWDZBQOSA-N 2 2 352.507 3.407 20 30 FGEDLP N#Cc1csc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)n1 ZINC000595000937 507348053 /nfs/dbraw/zinc/34/80/53/507348053.db2.gz QSEXIKGFIWVSIH-KRWDZBQOSA-N 2 2 352.507 3.407 20 30 FGEDLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccncc2C#N)CC1 ZINC000592093871 507480576 /nfs/dbraw/zinc/48/05/76/507480576.db2.gz PSOMNUAQCYIMCR-INIZCTEOSA-N 2 2 367.472 3.085 20 30 FGEDLP N#CCCn1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(-c2ccccc2)n1 ZINC000611268120 507592899 /nfs/dbraw/zinc/59/28/99/507592899.db2.gz OVOGWKVHGDFMTK-HXUWFJFHSA-N 2 2 360.465 3.497 20 30 FGEDLP N#CCCn1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(-c2ccccc2)n1 ZINC000611268120 507592909 /nfs/dbraw/zinc/59/29/09/507592909.db2.gz OVOGWKVHGDFMTK-HXUWFJFHSA-N 2 2 360.465 3.497 20 30 FGEDLP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@@H+]1CCc2sccc2C1 ZINC000262011203 713717037 /nfs/dbraw/zinc/71/70/37/713717037.db2.gz UGBISASRWDSCPP-CQSZACIVSA-N 2 2 354.523 3.410 20 30 FGEDLP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@H+]1CCc2sccc2C1 ZINC000262011203 713717040 /nfs/dbraw/zinc/71/70/40/713717040.db2.gz UGBISASRWDSCPP-CQSZACIVSA-N 2 2 354.523 3.410 20 30 FGEDLP Cc1ccc(CC#N)c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)[nH+]1 ZINC001164862451 721007121 /nfs/dbraw/zinc/00/71/21/721007121.db2.gz QKGJKTUZFOYRGK-INIZCTEOSA-N 2 2 352.486 3.074 20 30 FGEDLP Cc1ccc(CC#N)c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)[nH+]1 ZINC001164862451 721007129 /nfs/dbraw/zinc/00/71/29/721007129.db2.gz QKGJKTUZFOYRGK-INIZCTEOSA-N 2 2 352.486 3.074 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676476978 721806945 /nfs/dbraw/zinc/80/69/45/721806945.db2.gz DFCXZUBSZRSRAE-IRXDYDNUSA-N 2 2 358.511 3.185 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676476978 721806966 /nfs/dbraw/zinc/80/69/66/721806966.db2.gz DFCXZUBSZRSRAE-IRXDYDNUSA-N 2 2 358.511 3.185 20 30 FGEDLP C=CC[NH+]1CCN(c2nc(C[NH+](CC)CC)nc3sc(C)c(C)c32)CC1 ZINC001165032471 721870380 /nfs/dbraw/zinc/87/03/80/721870380.db2.gz UWNFCGBXPGJGNR-UHFFFAOYSA-N 2 2 373.570 3.458 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000751927744 722835769 /nfs/dbraw/zinc/83/57/69/722835769.db2.gz KKHOJPULIAVDON-CALCHBBNSA-N 2 2 363.575 3.174 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1=S ZINC000751927744 722835770 /nfs/dbraw/zinc/83/57/70/722835770.db2.gz KKHOJPULIAVDON-CALCHBBNSA-N 2 2 363.575 3.174 20 30 FGEDLP C=CCOc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1Cl ZINC000877747353 736713521 /nfs/dbraw/zinc/71/35/21/736713521.db2.gz HQTXKULCZGZAKX-UHFFFAOYSA-N 2 2 363.933 3.117 20 30 FGEDLP Cc1oc(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(C#N)c1C ZINC000052713754 494055783 /nfs/dbraw/zinc/05/57/83/494055783.db2.gz PPZXLIDJGAUBDB-UHFFFAOYSA-N 2 2 372.513 3.295 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072974713 494295455 /nfs/dbraw/zinc/29/54/55/494295455.db2.gz XUALGBYUPIVJKU-JKBKZWBZSA-N 2 2 362.562 3.016 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072974713 494295460 /nfs/dbraw/zinc/29/54/60/494295460.db2.gz XUALGBYUPIVJKU-JKBKZWBZSA-N 2 2 362.562 3.016 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000072974713 494295463 /nfs/dbraw/zinc/29/54/63/494295463.db2.gz XUALGBYUPIVJKU-JKBKZWBZSA-N 2 2 362.562 3.016 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000072974713 494295468 /nfs/dbraw/zinc/29/54/68/494295468.db2.gz XUALGBYUPIVJKU-JKBKZWBZSA-N 2 2 362.562 3.016 20 30 FGEDLP C[N@@H+](Cc1cnc2ccc(C#N)cn12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336830 494872309 /nfs/dbraw/zinc/87/23/09/494872309.db2.gz ZGUIZUGSGFHEOD-FQEVSTJZSA-N 2 2 359.477 3.160 20 30 FGEDLP C[N@H+](Cc1cnc2ccc(C#N)cn12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336830 494872314 /nfs/dbraw/zinc/87/23/14/494872314.db2.gz ZGUIZUGSGFHEOD-FQEVSTJZSA-N 2 2 359.477 3.160 20 30 FGEDLP C[NH+](Cc1cnc2ccc(C#N)cn12)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336830 494872317 /nfs/dbraw/zinc/87/23/17/494872317.db2.gz ZGUIZUGSGFHEOD-FQEVSTJZSA-N 2 2 359.477 3.160 20 30 FGEDLP C[NH+](Cc1cnc2ccc(C#N)cn12)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336830 494872322 /nfs/dbraw/zinc/87/23/22/494872322.db2.gz ZGUIZUGSGFHEOD-FQEVSTJZSA-N 2 2 359.477 3.160 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792519 494919165 /nfs/dbraw/zinc/91/91/65/494919165.db2.gz GYACDZFFDXOQMB-CYBMUJFWSA-N 2 2 357.845 3.072 20 30 FGEDLP CC[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160061668 495875946 /nfs/dbraw/zinc/87/59/46/495875946.db2.gz LRKGDOVMQOIKBU-HZPDHXFCSA-N 2 2 372.517 3.217 20 30 FGEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[N@@H+]1C ZINC000177056939 495904548 /nfs/dbraw/zinc/90/45/48/495904548.db2.gz FCGUGUVLXTWFBV-WBVHZDCISA-N 2 2 362.905 3.001 20 30 FGEDLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[N@H+]1C ZINC000177056939 495904553 /nfs/dbraw/zinc/90/45/53/495904553.db2.gz FCGUGUVLXTWFBV-WBVHZDCISA-N 2 2 362.905 3.001 20 30 FGEDLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[NH+]1C ZINC000177056939 495904559 /nfs/dbraw/zinc/90/45/59/495904559.db2.gz FCGUGUVLXTWFBV-WBVHZDCISA-N 2 2 362.905 3.001 20 30 FGEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[NH+]1C ZINC000177056939 495904564 /nfs/dbraw/zinc/90/45/64/495904564.db2.gz FCGUGUVLXTWFBV-WBVHZDCISA-N 2 2 362.905 3.001 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181074702 496261052 /nfs/dbraw/zinc/26/10/52/496261052.db2.gz VNZNZSGYHHZSOC-MRXNPFEDSA-N 2 2 371.510 3.238 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181074702 496261054 /nfs/dbraw/zinc/26/10/54/496261054.db2.gz VNZNZSGYHHZSOC-MRXNPFEDSA-N 2 2 371.510 3.238 20 30 FGEDLP CCCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000181725540 496518596 /nfs/dbraw/zinc/51/85/96/496518596.db2.gz OORIXMPGTNSTIE-UHFFFAOYSA-N 2 2 364.493 3.496 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](CCO)c3ccccc3)CC2)cc1 ZINC000181795086 496547306 /nfs/dbraw/zinc/54/73/06/496547306.db2.gz ZSGXYPJPAKDBTR-JOCHJYFZSA-N 2 2 363.505 3.278 20 30 FGEDLP C=C(C)C[N@@H+](CC)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000179215891 496714575 /nfs/dbraw/zinc/71/45/75/496714575.db2.gz ANYPAWNEAPGCOF-UHFFFAOYSA-N 2 2 350.532 3.212 20 30 FGEDLP C=C(C)C[N@H+](CC)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000179215891 496714579 /nfs/dbraw/zinc/71/45/79/496714579.db2.gz ANYPAWNEAPGCOF-UHFFFAOYSA-N 2 2 350.532 3.212 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247665943 496902395 /nfs/dbraw/zinc/90/23/95/496902395.db2.gz QKJVZYWQNNUDDB-LBTNJELSSA-N 2 2 371.872 3.318 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247665943 496902398 /nfs/dbraw/zinc/90/23/98/496902398.db2.gz QKJVZYWQNNUDDB-LBTNJELSSA-N 2 2 371.872 3.318 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247665945 496902744 /nfs/dbraw/zinc/90/27/44/496902744.db2.gz QKJVZYWQNNUDDB-QWQRMKEZSA-N 2 2 371.872 3.318 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247665945 496902749 /nfs/dbraw/zinc/90/27/49/496902749.db2.gz QKJVZYWQNNUDDB-QWQRMKEZSA-N 2 2 371.872 3.318 20 30 FGEDLP C=CC[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000188834246 496923124 /nfs/dbraw/zinc/92/31/24/496923124.db2.gz YICXXAVQAHKWPJ-NRFANRHFSA-N 2 2 355.526 3.021 20 30 FGEDLP C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000245716563 497513411 /nfs/dbraw/zinc/51/34/11/497513411.db2.gz UEZBIDCFYQTEPW-KBXCAEBGSA-N 2 2 371.872 3.320 20 30 FGEDLP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000245716563 497513417 /nfs/dbraw/zinc/51/34/17/497513417.db2.gz UEZBIDCFYQTEPW-KBXCAEBGSA-N 2 2 371.872 3.320 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246224998 497667738 /nfs/dbraw/zinc/66/77/38/497667738.db2.gz RGARMMSWJVYWON-PMACEKPBSA-N 2 2 368.525 3.048 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246224998 497667740 /nfs/dbraw/zinc/66/77/40/497667740.db2.gz RGARMMSWJVYWON-PMACEKPBSA-N 2 2 368.525 3.048 20 30 FGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000330243368 498075593 /nfs/dbraw/zinc/07/55/93/498075593.db2.gz CQSHLGCXWVEDDR-KURKYZTESA-N 2 2 361.534 3.464 20 30 FGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000330243368 498075594 /nfs/dbraw/zinc/07/55/94/498075594.db2.gz CQSHLGCXWVEDDR-KURKYZTESA-N 2 2 361.534 3.464 20 30 FGEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000328603529 498871647 /nfs/dbraw/zinc/87/16/47/498871647.db2.gz HVSVUEGOCLUOJM-OALUTQOASA-N 2 2 373.545 3.263 20 30 FGEDLP N#Cc1ccccc1Cn1cccc1C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000363688825 498945404 /nfs/dbraw/zinc/94/54/04/498945404.db2.gz SBNHTWYFBQPKJO-UHFFFAOYSA-N 2 2 368.444 3.279 20 30 FGEDLP COc1cc(C)[nH+]c(CN2CC[NH+](CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)c1 ZINC000328867757 498967509 /nfs/dbraw/zinc/96/75/09/498967509.db2.gz OKZHCKRFOCAHFD-FUHWJXTLSA-N 2 2 374.529 3.051 20 30 FGEDLP C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000329459835 499124627 /nfs/dbraw/zinc/12/46/27/499124627.db2.gz RVNZRHCFYIFQGJ-UHOSZYNNSA-N 2 2 352.482 3.313 20 30 FGEDLP C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000329459835 499124628 /nfs/dbraw/zinc/12/46/28/499124628.db2.gz RVNZRHCFYIFQGJ-UHOSZYNNSA-N 2 2 352.482 3.313 20 30 FGEDLP COc1cc(C[N@H+](C)C2CC[NH+](Cc3ccncc3)CC2)ccc1C#N ZINC000367669075 499223089 /nfs/dbraw/zinc/22/30/89/499223089.db2.gz KMQSNTQZGIHORZ-UHFFFAOYSA-N 2 2 350.466 3.058 20 30 FGEDLP COc1cc(C[N@@H+](C)C2CC[NH+](Cc3ccncc3)CC2)ccc1C#N ZINC000367669075 499223091 /nfs/dbraw/zinc/22/30/91/499223091.db2.gz KMQSNTQZGIHORZ-UHFFFAOYSA-N 2 2 350.466 3.058 20 30 FGEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC#Cc1ccc(C(F)(F)F)cc1 ZINC000371302353 499307686 /nfs/dbraw/zinc/30/76/86/499307686.db2.gz YIFSQJJTJPSYIY-CEXWTWQISA-N 2 2 366.427 3.240 20 30 FGEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC#Cc1ccc(C(F)(F)F)cc1 ZINC000371302353 499307688 /nfs/dbraw/zinc/30/76/88/499307688.db2.gz YIFSQJJTJPSYIY-CEXWTWQISA-N 2 2 366.427 3.240 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCOc3ccccc3C#N)[C@H](C)C2)s1 ZINC000368965417 499351466 /nfs/dbraw/zinc/35/14/66/499351466.db2.gz KKICXHCVWDVBPG-BEFAXECRSA-N 2 2 370.522 3.202 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCOc3ccccc3C#N)[C@H](C)C2)s1 ZINC000368965417 499351468 /nfs/dbraw/zinc/35/14/68/499351468.db2.gz KKICXHCVWDVBPG-BEFAXECRSA-N 2 2 370.522 3.202 20 30 FGEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(F)c1 ZINC000390910722 499556328 /nfs/dbraw/zinc/55/63/28/499556328.db2.gz WOZCKCLLSUGJRL-HXUWFJFHSA-N 2 2 353.441 3.078 20 30 FGEDLP N#Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(F)c1 ZINC000390910722 499556329 /nfs/dbraw/zinc/55/63/29/499556329.db2.gz WOZCKCLLSUGJRL-HXUWFJFHSA-N 2 2 353.441 3.078 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1OCC ZINC000414814999 499834126 /nfs/dbraw/zinc/83/41/26/499834126.db2.gz ZSDJDONPOBNIJE-HNNXBMFYSA-N 2 2 369.303 3.240 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1OCC ZINC000414845637 499837043 /nfs/dbraw/zinc/83/70/43/499837043.db2.gz MHSFLWKWUCEYLY-AWEZNQCLSA-N 2 2 369.303 3.254 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000414954194 499848185 /nfs/dbraw/zinc/84/81/85/499848185.db2.gz MTUIIDHXKUPIOE-IUODEOHRSA-N 2 2 369.303 3.253 20 30 FGEDLP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1 ZINC000447540505 500620545 /nfs/dbraw/zinc/62/05/45/500620545.db2.gz JIAQWCGPSJWRAP-RJGXRXQPSA-N 2 2 363.505 3.482 20 30 FGEDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1 ZINC000447540505 500620549 /nfs/dbraw/zinc/62/05/49/500620549.db2.gz JIAQWCGPSJWRAP-RJGXRXQPSA-N 2 2 363.505 3.482 20 30 FGEDLP C[C@@H](CC1(C#N)CCOCC1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000602568331 506219669 /nfs/dbraw/zinc/21/96/69/506219669.db2.gz JTWSINMZYGMRTN-KRWDZBQOSA-N 2 2 371.529 3.123 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000449479763 501013330 /nfs/dbraw/zinc/01/33/30/501013330.db2.gz MVQDCECIFPXWLD-FQEVSTJZSA-N 2 2 353.510 3.462 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCOC4(CCC4)C3)CC2)cc1 ZINC000449479768 501013383 /nfs/dbraw/zinc/01/33/83/501013383.db2.gz MVQDCECIFPXWLD-HXUWFJFHSA-N 2 2 353.510 3.462 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)CC1 ZINC000482190146 502003011 /nfs/dbraw/zinc/00/30/11/502003011.db2.gz AMNOITWVKBPAAB-UHFFFAOYSA-N 2 2 354.450 3.473 20 30 FGEDLP CN(C(=O)CCCCCC#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000588655880 506293888 /nfs/dbraw/zinc/29/38/88/506293888.db2.gz LGMQVFCFHCIZQM-WOJBJXKFSA-N 2 2 362.562 3.256 20 30 FGEDLP CN(C(=O)CCCCCC#N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000588655880 506293893 /nfs/dbraw/zinc/29/38/93/506293893.db2.gz LGMQVFCFHCIZQM-WOJBJXKFSA-N 2 2 362.562 3.256 20 30 FGEDLP Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000479948119 502428010 /nfs/dbraw/zinc/42/80/10/502428010.db2.gz KCIVABQWWUUFKX-JOCHJYFZSA-N 2 2 371.488 3.323 20 30 FGEDLP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000479948119 502428013 /nfs/dbraw/zinc/42/80/13/502428013.db2.gz KCIVABQWWUUFKX-JOCHJYFZSA-N 2 2 371.488 3.323 20 30 FGEDLP Cn1cc(C[NH2+][C@@H](C[N@@H+]2CCc3ccccc3C2)C(C)(C)C)cc1C#N ZINC000480390564 502555415 /nfs/dbraw/zinc/55/54/15/502555415.db2.gz SOOSSPXPGZDBPN-NRFANRHFSA-N 2 2 350.510 3.459 20 30 FGEDLP Cn1cc(C[NH2+][C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)cc1C#N ZINC000480390564 502555421 /nfs/dbraw/zinc/55/54/21/502555421.db2.gz SOOSSPXPGZDBPN-NRFANRHFSA-N 2 2 350.510 3.459 20 30 FGEDLP C=CCCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000474077334 502801486 /nfs/dbraw/zinc/80/14/86/502801486.db2.gz FSXBNVBRBFQWAK-PMACEKPBSA-N 2 2 364.578 3.321 20 30 FGEDLP C=CCCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000474077334 502801490 /nfs/dbraw/zinc/80/14/90/502801490.db2.gz FSXBNVBRBFQWAK-PMACEKPBSA-N 2 2 364.578 3.321 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000534470375 504150761 /nfs/dbraw/zinc/15/07/61/504150761.db2.gz KTIYSHLWHLNKMP-SFHVURJKSA-N 2 2 354.498 3.234 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000534470375 504150764 /nfs/dbraw/zinc/15/07/64/504150764.db2.gz KTIYSHLWHLNKMP-SFHVURJKSA-N 2 2 354.498 3.234 20 30 FGEDLP N#Cc1ccc(CNc2[nH+]c3ccccc3n2CCCn2cc[nH+]c2)cc1 ZINC000538501220 504265281 /nfs/dbraw/zinc/26/52/81/504265281.db2.gz XWRCBRMDSWNLKC-UHFFFAOYSA-N 2 2 356.433 3.229 20 30 FGEDLP N#Cc1ccc(N2CCC[C@H]([NH2+]C3CC[NH+](C4CCCC4)CC3)C2=O)cc1 ZINC000541882206 504287985 /nfs/dbraw/zinc/28/79/85/504287985.db2.gz OOGRSSSLGSVNTK-NRFANRHFSA-N 2 2 366.509 3.050 20 30 FGEDLP COc1cc(C)c(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C)n1 ZINC000593693344 506734902 /nfs/dbraw/zinc/73/49/02/506734902.db2.gz VJZITVDPWKUOCM-UHFFFAOYSA-N 2 2 364.493 3.333 20 30 FGEDLP CC(C)(C#N)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000594515446 507165850 /nfs/dbraw/zinc/16/58/50/507165850.db2.gz VJIOSASMLKIITH-QHCPKHFHSA-N 2 2 363.505 3.214 20 30 FGEDLP CC(C)(C#N)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000594515446 507165860 /nfs/dbraw/zinc/16/58/60/507165860.db2.gz VJIOSASMLKIITH-QHCPKHFHSA-N 2 2 363.505 3.214 20 30 FGEDLP COc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OCCCC#N ZINC000594518486 507166937 /nfs/dbraw/zinc/16/69/37/507166937.db2.gz GUMVWTYCHVWJOY-OALUTQOASA-N 2 2 357.498 3.484 20 30 FGEDLP COc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OCCCC#N ZINC000594518486 507166941 /nfs/dbraw/zinc/16/69/41/507166941.db2.gz GUMVWTYCHVWJOY-OALUTQOASA-N 2 2 357.498 3.484 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)c1 ZINC000601285236 507320918 /nfs/dbraw/zinc/32/09/18/507320918.db2.gz QMTNLECSEKEKLN-BDTNDASRSA-N 2 2 365.521 3.460 20 30 FGEDLP Cc1cccc2[nH+]c(CC[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)cn21 ZINC000592378901 507628302 /nfs/dbraw/zinc/62/83/02/507628302.db2.gz FWEWRMBZMYOWOR-UHFFFAOYSA-N 2 2 359.477 3.316 20 30 FGEDLP C[S@](=O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000611438673 507682163 /nfs/dbraw/zinc/68/21/63/507682163.db2.gz BUDXMOOKDPJZAS-SANMLTNESA-N 2 2 367.518 3.050 20 30 FGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000602510655 507732065 /nfs/dbraw/zinc/73/20/65/507732065.db2.gz LJISUAISKVORQL-KRWDZBQOSA-N 2 2 351.560 3.037 20 30 FGEDLP Cc1ccc(CC#N)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)[nH+]1 ZINC001164955249 722022367 /nfs/dbraw/zinc/02/23/67/722022367.db2.gz BXTOXOOEKDWXSM-UHFFFAOYSA-N 2 2 361.493 3.344 20 30 FGEDLP Cc1ccc(CC#N)c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)[nH+]1 ZINC001164955249 722022371 /nfs/dbraw/zinc/02/23/71/722022371.db2.gz BXTOXOOEKDWXSM-UHFFFAOYSA-N 2 2 361.493 3.344 20 30 FGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000765799681 723541671 /nfs/dbraw/zinc/54/16/71/723541671.db2.gz YDQKKXVUWAHUPR-VDZJLULYSA-N 2 2 350.890 3.332 20 30 FGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000765799681 723541674 /nfs/dbraw/zinc/54/16/74/723541674.db2.gz YDQKKXVUWAHUPR-VDZJLULYSA-N 2 2 350.890 3.332 20 30 FGEDLP C[C@@]1(Br)C[C@@H]1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000895186717 742385316 /nfs/dbraw/zinc/38/53/16/742385316.db2.gz ALDFNHPHYXVSFL-SJLPKXTDSA-N 2 2 362.315 3.286 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3COC4(CCCCC4)O3)CC2)cc1 ZINC000126160800 494658230 /nfs/dbraw/zinc/65/82/30/494658230.db2.gz PSIQYDJBFKGLIA-NRFANRHFSA-N 2 2 369.509 3.188 20 30 FGEDLP N#Cc1ccc2[nH+]cc(CNc3ccccc3C[NH+]3CCSCC3)n2c1 ZINC000092160157 494801973 /nfs/dbraw/zinc/80/19/73/494801973.db2.gz CPMGRMSJKKSWEO-UHFFFAOYSA-N 2 2 363.490 3.367 20 30 FGEDLP Cc1sc(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c(C#N)c1C ZINC000123594134 495157242 /nfs/dbraw/zinc/15/72/42/495157242.db2.gz OPBSBWLMSMKIRR-UHFFFAOYSA-N 2 2 362.543 3.229 20 30 FGEDLP CN(C(=O)c1sccc1C#N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124541837 495304114 /nfs/dbraw/zinc/30/41/14/495304114.db2.gz OGXIAJIIHHXCFT-ROUUACIJSA-N 2 2 374.554 3.029 20 30 FGEDLP CN(C(=O)c1sccc1C#N)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124541837 495304119 /nfs/dbraw/zinc/30/41/19/495304119.db2.gz OGXIAJIIHHXCFT-ROUUACIJSA-N 2 2 374.554 3.029 20 30 FGEDLP C=C(C)C[NH+]1CCC(NC(=O)NCCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000106262429 495441191 /nfs/dbraw/zinc/44/11/91/495441191.db2.gz XHQVSKNACDBNNS-UHFFFAOYSA-N 2 2 369.513 3.075 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173951140 495759884 /nfs/dbraw/zinc/75/98/84/495759884.db2.gz JGVIACBCQFVXCT-HKUYNNGSSA-N 2 2 374.504 3.267 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173951140 495759893 /nfs/dbraw/zinc/75/98/93/495759893.db2.gz JGVIACBCQFVXCT-HKUYNNGSSA-N 2 2 374.504 3.267 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173951140 495759900 /nfs/dbraw/zinc/75/99/00/495759900.db2.gz JGVIACBCQFVXCT-HKUYNNGSSA-N 2 2 374.504 3.267 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173951140 495759908 /nfs/dbraw/zinc/75/99/08/495759908.db2.gz JGVIACBCQFVXCT-HKUYNNGSSA-N 2 2 374.504 3.267 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157009887 496385019 /nfs/dbraw/zinc/38/50/19/496385019.db2.gz YGKFVHPPLYFVMD-FPOVZHCZSA-N 2 2 355.526 3.172 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157009887 496385025 /nfs/dbraw/zinc/38/50/25/496385025.db2.gz YGKFVHPPLYFVMD-FPOVZHCZSA-N 2 2 355.526 3.172 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157009887 496385029 /nfs/dbraw/zinc/38/50/29/496385029.db2.gz YGKFVHPPLYFVMD-FPOVZHCZSA-N 2 2 355.526 3.172 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157009887 496385034 /nfs/dbraw/zinc/38/50/34/496385034.db2.gz YGKFVHPPLYFVMD-FPOVZHCZSA-N 2 2 355.526 3.172 20 30 FGEDLP CCCC[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181622546 496474435 /nfs/dbraw/zinc/47/44/35/496474435.db2.gz MPEHZGLVLZAPKY-UHFFFAOYSA-N 3 2 354.542 3.377 20 30 FGEDLP C[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000181828779 496562102 /nfs/dbraw/zinc/56/21/02/496562102.db2.gz NQAVMWLQVOTFNJ-FRIKZZABSA-N 3 2 352.526 3.128 20 30 FGEDLP C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000181828779 496562105 /nfs/dbraw/zinc/56/21/05/496562105.db2.gz NQAVMWLQVOTFNJ-FRIKZZABSA-N 3 2 352.526 3.128 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261860610 497464106 /nfs/dbraw/zinc/46/41/06/497464106.db2.gz SEMVBZRZRACFTA-KRWDZBQOSA-N 2 2 369.303 3.193 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261860610 497464108 /nfs/dbraw/zinc/46/41/08/497464108.db2.gz SEMVBZRZRACFTA-KRWDZBQOSA-N 2 2 369.303 3.193 20 30 FGEDLP Cn1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000272317194 497594329 /nfs/dbraw/zinc/59/43/29/497594329.db2.gz SSUUICHJCUCQPL-UHFFFAOYSA-N 2 2 363.509 3.409 20 30 FGEDLP C=CCC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccco1 ZINC000285480479 498100619 /nfs/dbraw/zinc/10/06/19/498100619.db2.gz BNADRFRXLQELHH-FQEVSTJZSA-N 2 2 367.493 3.464 20 30 FGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1C ZINC000285620021 498149622 /nfs/dbraw/zinc/14/96/22/498149622.db2.gz WLOMEICQXBMGRK-YOFSQIOKSA-N 2 2 368.525 3.107 20 30 FGEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000285620021 498149633 /nfs/dbraw/zinc/14/96/33/498149633.db2.gz WLOMEICQXBMGRK-YOFSQIOKSA-N 2 2 368.525 3.107 20 30 FGEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000285620021 498149639 /nfs/dbraw/zinc/14/96/39/498149639.db2.gz WLOMEICQXBMGRK-YOFSQIOKSA-N 2 2 368.525 3.107 20 30 FGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1C ZINC000285620021 498149629 /nfs/dbraw/zinc/14/96/29/498149629.db2.gz WLOMEICQXBMGRK-YOFSQIOKSA-N 2 2 368.525 3.107 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc(C#N)cc3F)[C@H](C)C2)s1 ZINC000362217972 498476482 /nfs/dbraw/zinc/47/64/82/498476482.db2.gz HGQCJLJMDZNPDG-YJYMSZOUSA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc(C#N)cc3F)[C@H](C)C2)s1 ZINC000362217972 498476491 /nfs/dbraw/zinc/47/64/91/498476491.db2.gz HGQCJLJMDZNPDG-YJYMSZOUSA-N 2 2 358.486 3.463 20 30 FGEDLP CCc1ccc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000287673520 498833247 /nfs/dbraw/zinc/83/32/47/498833247.db2.gz VWCIPYCPUFEVIT-HSZRJFAPSA-N 2 2 363.505 3.408 20 30 FGEDLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1)CCC2 ZINC000328722666 498915055 /nfs/dbraw/zinc/91/50/55/498915055.db2.gz SACBTWPILYBXOV-QGZVFWFLSA-N 2 2 361.534 3.037 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000328777309 498935114 /nfs/dbraw/zinc/93/51/14/498935114.db2.gz DALQJZMHICVYJU-KKSFZXQISA-N 2 2 373.497 3.242 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000328777309 498935120 /nfs/dbraw/zinc/93/51/20/498935120.db2.gz DALQJZMHICVYJU-KKSFZXQISA-N 2 2 373.497 3.242 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000328777309 498935125 /nfs/dbraw/zinc/93/51/25/498935125.db2.gz DALQJZMHICVYJU-KKSFZXQISA-N 2 2 373.497 3.242 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000328777309 498935128 /nfs/dbraw/zinc/93/51/28/498935128.db2.gz DALQJZMHICVYJU-KKSFZXQISA-N 2 2 373.497 3.242 20 30 FGEDLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000328880165 498972132 /nfs/dbraw/zinc/97/21/32/498972132.db2.gz VSGJKXSAASCWOU-SFHVURJKSA-N 2 2 373.545 3.312 20 30 FGEDLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C2([NH+]3CCOCC3)CCC2)cc1F ZINC000329087163 499038273 /nfs/dbraw/zinc/03/82/73/499038273.db2.gz HFJCPODXNADZEP-UHFFFAOYSA-N 2 2 372.444 3.031 20 30 FGEDLP C=CCCCS(=O)(=O)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000291855827 499085965 /nfs/dbraw/zinc/08/59/65/499085965.db2.gz JEJYSQLVXKHYDR-UHFFFAOYSA-N 2 2 365.543 3.173 20 30 FGEDLP Cc1cc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c[nH+]c1N1CCCC[C@@H]1C ZINC000329335449 499102486 /nfs/dbraw/zinc/10/24/86/499102486.db2.gz LGAGZVAUJUZXHM-LNLFQRSKSA-N 2 2 371.529 3.340 20 30 FGEDLP Cc1cc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c[nH+]c1N1CCCC[C@@H]1C ZINC000329335449 499102490 /nfs/dbraw/zinc/10/24/90/499102490.db2.gz LGAGZVAUJUZXHM-LNLFQRSKSA-N 2 2 371.529 3.340 20 30 FGEDLP Cc1ccc2[nH+]c(CNC(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)cn2c1 ZINC000329342037 499103459 /nfs/dbraw/zinc/10/34/59/499103459.db2.gz ZVLKNCYEAXBKDW-SFHVURJKSA-N 2 2 355.486 3.007 20 30 FGEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000329417726 499118180 /nfs/dbraw/zinc/11/81/80/499118180.db2.gz GMXJXJSXYWOEPE-LJQANCHMSA-N 2 2 367.497 3.237 20 30 FGEDLP C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000329459834 499124869 /nfs/dbraw/zinc/12/48/69/499124869.db2.gz RVNZRHCFYIFQGJ-QXAKKESOSA-N 2 2 352.482 3.313 20 30 FGEDLP C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000329459834 499124870 /nfs/dbraw/zinc/12/48/70/499124870.db2.gz RVNZRHCFYIFQGJ-QXAKKESOSA-N 2 2 352.482 3.313 20 30 FGEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000375785276 499555771 /nfs/dbraw/zinc/55/57/71/499555771.db2.gz BCKJMWRBHFCVBO-QZTJIDSGSA-N 2 2 371.529 3.375 20 30 FGEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000375785276 499555773 /nfs/dbraw/zinc/55/57/73/499555773.db2.gz BCKJMWRBHFCVBO-QZTJIDSGSA-N 2 2 371.529 3.375 20 30 FGEDLP C=CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000375788345 499556035 /nfs/dbraw/zinc/55/60/35/499556035.db2.gz AAPUCFGYPOWEIJ-RXVVDRJESA-N 2 2 354.498 3.158 20 30 FGEDLP C=CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000375788345 499556036 /nfs/dbraw/zinc/55/60/36/499556036.db2.gz AAPUCFGYPOWEIJ-RXVVDRJESA-N 2 2 354.498 3.158 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](CO)c3ccc(F)cc3)CC2)cc1 ZINC000414286669 499774594 /nfs/dbraw/zinc/77/45/94/499774594.db2.gz JLPMYYIHMODHHS-HXUWFJFHSA-N 2 2 367.468 3.027 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@H]([NH3+])CC)cc1OCC ZINC000414974696 499850362 /nfs/dbraw/zinc/85/03/62/499850362.db2.gz FBEOCAPCBDRPAI-CYBMUJFWSA-N 2 2 357.292 3.240 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1OCC ZINC000415015010 499855046 /nfs/dbraw/zinc/85/50/46/499855046.db2.gz XNQXDVKBZIOQKM-VXGBXAGGSA-N 2 2 357.292 3.238 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420388459 500453682 /nfs/dbraw/zinc/45/36/82/500453682.db2.gz HCJNPQQLQJDUFE-SJLPKXTDSA-N 2 2 359.539 3.367 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420388459 500453685 /nfs/dbraw/zinc/45/36/85/500453685.db2.gz HCJNPQQLQJDUFE-SJLPKXTDSA-N 2 2 359.539 3.367 20 30 FGEDLP C=CCOc1ccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000428432391 500509213 /nfs/dbraw/zinc/50/92/13/500509213.db2.gz YNWSNPCGQJAIJQ-HSZRJFAPSA-N 2 2 366.505 3.320 20 30 FGEDLP C=CCOc1ccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000428432391 500509215 /nfs/dbraw/zinc/50/92/15/500509215.db2.gz YNWSNPCGQJAIJQ-HSZRJFAPSA-N 2 2 366.505 3.320 20 30 FGEDLP C=CCOc1ccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000428432391 500509218 /nfs/dbraw/zinc/50/92/18/500509218.db2.gz YNWSNPCGQJAIJQ-HSZRJFAPSA-N 2 2 366.505 3.320 20 30 FGEDLP C=CCOc1ccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000428432391 500509219 /nfs/dbraw/zinc/50/92/19/500509219.db2.gz YNWSNPCGQJAIJQ-HSZRJFAPSA-N 2 2 366.505 3.320 20 30 FGEDLP CC(C)c1ccc2ncc(C#N)c(NCC[NH+]3CCC([NH+](C)C)CC3)c2c1 ZINC000447673770 500642974 /nfs/dbraw/zinc/64/29/74/500642974.db2.gz ZWAOZSBWCSGXPZ-UHFFFAOYSA-N 2 2 365.525 3.090 20 30 FGEDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cc(C#N)cs3)CC2)cc1 ZINC000449521919 501024045 /nfs/dbraw/zinc/02/40/45/501024045.db2.gz ICZWJGMKBVAGDX-UHFFFAOYSA-N 2 2 368.506 3.332 20 30 FGEDLP Cc1[nH+]ccn1CCC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471010405 501891255 /nfs/dbraw/zinc/89/12/55/501891255.db2.gz WALKGGSNARVVJS-LJQANCHMSA-N 2 2 357.889 3.118 20 30 FGEDLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C#N)cc1F ZINC000512293542 503512388 /nfs/dbraw/zinc/51/23/88/503512388.db2.gz FNPVXRNXCHBLHL-RHSMWYFYSA-N 2 2 353.445 3.406 20 30 FGEDLP C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000533308873 503802406 /nfs/dbraw/zinc/80/24/06/503802406.db2.gz GXCOZCHPOUIQMQ-HNNXBMFYSA-N 2 2 370.447 3.439 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC[C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000538407679 504237891 /nfs/dbraw/zinc/23/78/91/504237891.db2.gz JRIGDQTWWAAYHS-UNMCSNQZSA-N 2 2 355.526 3.444 20 30 FGEDLP N#Cc1ccc2[nH+]cc(C[NH+]3CCC4(CC3)OCCc3ccccc34)n2c1 ZINC000562574079 504864222 /nfs/dbraw/zinc/86/42/22/504864222.db2.gz YAGYJWOKXINQNN-UHFFFAOYSA-N 2 2 358.445 3.270 20 30 FGEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)CC[N@@H+]1Cc1ccccc1 ZINC000567271639 505415045 /nfs/dbraw/zinc/41/50/45/505415045.db2.gz CJNGLELIEAQPAB-DYESRHJHSA-N 2 2 374.492 3.086 20 30 FGEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc3c(C#N)cnn3c2)CC[N@H+]1Cc1ccccc1 ZINC000567271639 505415048 /nfs/dbraw/zinc/41/50/48/505415048.db2.gz CJNGLELIEAQPAB-DYESRHJHSA-N 2 2 374.492 3.086 20 30 FGEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc3c(C#N)cnn3c2)CC[NH+]1Cc1ccccc1 ZINC000567271639 505415051 /nfs/dbraw/zinc/41/50/51/505415051.db2.gz CJNGLELIEAQPAB-DYESRHJHSA-N 2 2 374.492 3.086 20 30 FGEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)CC[NH+]1Cc1ccccc1 ZINC000567271639 505415053 /nfs/dbraw/zinc/41/50/53/505415053.db2.gz CJNGLELIEAQPAB-DYESRHJHSA-N 2 2 374.492 3.086 20 30 FGEDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000595104666 507394722 /nfs/dbraw/zinc/39/47/22/507394722.db2.gz AXGCVLQNPDIHFI-LAUBAEHRSA-N 2 2 366.484 3.164 20 30 FGEDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000595104666 507394728 /nfs/dbraw/zinc/39/47/28/507394728.db2.gz AXGCVLQNPDIHFI-LAUBAEHRSA-N 2 2 366.484 3.164 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000236756539 713583642 /nfs/dbraw/zinc/58/36/42/713583642.db2.gz BIVCAUFCSBDYNX-UHFFFAOYSA-N 2 2 363.299 3.465 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](CNc1cc(N2CCSCC2)[nH+]cn1)C(C)C ZINC000525641714 714364691 /nfs/dbraw/zinc/36/46/91/714364691.db2.gz WGYWUVCQWPEYPF-KRWDZBQOSA-N 2 2 361.559 3.140 20 30 FGEDLP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000662798028 720459674 /nfs/dbraw/zinc/45/96/74/720459674.db2.gz PMNLICYMZSIWOB-JENIJYKNSA-N 2 2 365.880 3.039 20 30 FGEDLP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000662798028 720459675 /nfs/dbraw/zinc/45/96/75/720459675.db2.gz PMNLICYMZSIWOB-JENIJYKNSA-N 2 2 365.880 3.039 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CCO)c3cccs3)CC2)cc1 ZINC000776162980 724115459 /nfs/dbraw/zinc/11/54/59/724115459.db2.gz LGNOMPIUMDDVRR-LJQANCHMSA-N 2 2 355.507 3.297 20 30 FGEDLP N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000080958591 493800317 /nfs/dbraw/zinc/80/03/17/493800317.db2.gz UHEJWWVPSFLSRO-CQSZACIVSA-N 2 2 357.845 3.143 20 30 FGEDLP N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000080958591 493800323 /nfs/dbraw/zinc/80/03/23/493800323.db2.gz UHEJWWVPSFLSRO-CQSZACIVSA-N 2 2 357.845 3.143 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000574221409 505723765 /nfs/dbraw/zinc/72/37/65/505723765.db2.gz DWOVBSHFMMPITM-HXUWFJFHSA-N 2 2 357.542 3.301 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000574221409 505723770 /nfs/dbraw/zinc/72/37/70/505723770.db2.gz DWOVBSHFMMPITM-HXUWFJFHSA-N 2 2 357.542 3.301 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123925392 495207913 /nfs/dbraw/zinc/20/79/13/495207913.db2.gz NXYCMJLHGZRNFC-IKGGRYGDSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123925392 495207914 /nfs/dbraw/zinc/20/79/14/495207914.db2.gz NXYCMJLHGZRNFC-IKGGRYGDSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123925392 495207915 /nfs/dbraw/zinc/20/79/15/495207915.db2.gz NXYCMJLHGZRNFC-IKGGRYGDSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123925392 495207916 /nfs/dbraw/zinc/20/79/16/495207916.db2.gz NXYCMJLHGZRNFC-IKGGRYGDSA-N 2 2 374.554 3.434 20 30 FGEDLP COc1cc(C#N)ccc1C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000120592183 495412713 /nfs/dbraw/zinc/41/27/13/495412713.db2.gz VTACXOCFFLFHPQ-UHFFFAOYSA-N 2 2 365.481 3.111 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181089233 496265085 /nfs/dbraw/zinc/26/50/85/496265085.db2.gz XDMAMMFPLGYNGI-MRXNPFEDSA-N 2 2 371.510 3.095 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181089233 496265091 /nfs/dbraw/zinc/26/50/91/496265091.db2.gz XDMAMMFPLGYNGI-MRXNPFEDSA-N 2 2 371.510 3.095 20 30 FGEDLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(OCC#N)cc1 ZINC000181530283 496433152 /nfs/dbraw/zinc/43/31/52/496433152.db2.gz ZRYFEKQWSIODIE-SFHVURJKSA-N 2 2 365.477 3.272 20 30 FGEDLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181699747 496508782 /nfs/dbraw/zinc/50/87/82/496508782.db2.gz RSAQJQUVVPBRDO-NRFANRHFSA-N 3 2 354.542 3.233 20 30 FGEDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181699747 496508789 /nfs/dbraw/zinc/50/87/89/496508789.db2.gz RSAQJQUVVPBRDO-NRFANRHFSA-N 3 2 354.542 3.233 20 30 FGEDLP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccsc1 ZINC000181796868 496548897 /nfs/dbraw/zinc/54/88/97/496548897.db2.gz SJCZBHWMKXZYCN-HXUWFJFHSA-N 2 2 355.507 3.081 20 30 FGEDLP C[C@H](C[C@@H](O)c1ccco1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181913030 496597920 /nfs/dbraw/zinc/59/79/20/496597920.db2.gz BGVSUSSLMPPEKL-OXQOHEQNSA-N 2 2 353.466 3.217 20 30 FGEDLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)cc3F)c2)CCO1 ZINC000269456748 496951375 /nfs/dbraw/zinc/95/13/75/496951375.db2.gz WXBFPTKNCHDSHZ-MRXNPFEDSA-N 2 2 353.441 3.208 20 30 FGEDLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)cc3F)c2)CCO1 ZINC000269456748 496951383 /nfs/dbraw/zinc/95/13/83/496951383.db2.gz WXBFPTKNCHDSHZ-MRXNPFEDSA-N 2 2 353.441 3.208 20 30 FGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000237484272 497244273 /nfs/dbraw/zinc/24/42/73/497244273.db2.gz SCWCCMUYYONOIK-KRWDZBQOSA-N 2 2 350.466 3.127 20 30 FGEDLP C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000329946751 497965477 /nfs/dbraw/zinc/96/54/77/497965477.db2.gz JTMHHDMNLRPQRV-QZTJIDSGSA-N 2 2 361.534 3.335 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@@H](CO)c4ccccc43)CC2)cc1 ZINC000364955039 498225657 /nfs/dbraw/zinc/22/56/57/498225657.db2.gz PGKREMHFDLURFD-CVDCTZTESA-N 2 2 361.489 3.333 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H](CO)c4ccccc43)CC2)cc1 ZINC000364955040 498226545 /nfs/dbraw/zinc/22/65/45/498226545.db2.gz PGKREMHFDLURFD-WMZHIEFXSA-N 2 2 361.489 3.333 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292996282 498227342 /nfs/dbraw/zinc/22/73/42/498227342.db2.gz OLDDESHXHJLEJN-DENIHFKCSA-N 2 2 368.525 3.048 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292996282 498227348 /nfs/dbraw/zinc/22/73/48/498227348.db2.gz OLDDESHXHJLEJN-DENIHFKCSA-N 2 2 368.525 3.048 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292996282 498227353 /nfs/dbraw/zinc/22/73/53/498227353.db2.gz OLDDESHXHJLEJN-DENIHFKCSA-N 2 2 368.525 3.048 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292996282 498227357 /nfs/dbraw/zinc/22/73/57/498227357.db2.gz OLDDESHXHJLEJN-DENIHFKCSA-N 2 2 368.525 3.048 20 30 FGEDLP Cc1cc(C)cc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000282373336 498485014 /nfs/dbraw/zinc/48/50/14/498485014.db2.gz INGGCBHJNSQBJA-QHCPKHFHSA-N 2 2 363.505 3.463 20 30 FGEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000332246397 498617088 /nfs/dbraw/zinc/61/70/88/498617088.db2.gz XBUAMNRGMQIATJ-SFHLNBCPSA-N 2 2 362.562 3.017 20 30 FGEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000332246397 498617092 /nfs/dbraw/zinc/61/70/92/498617092.db2.gz XBUAMNRGMQIATJ-SFHLNBCPSA-N 2 2 362.562 3.017 20 30 FGEDLP CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328642390 498886704 /nfs/dbraw/zinc/88/67/04/498886704.db2.gz DUOUWIJIEHGFEZ-DLBZAZTESA-N 2 2 370.501 3.079 20 30 FGEDLP Cc1[nH+]c2n(c1CN1CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC1)CCCC2 ZINC000372622737 499154847 /nfs/dbraw/zinc/15/48/47/499154847.db2.gz WTCVGQNXZCABCU-SFHVURJKSA-N 2 2 363.509 3.278 20 30 FGEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)CCC2 ZINC000373200544 499457005 /nfs/dbraw/zinc/45/70/05/499457005.db2.gz HRMCEYPVMAVCAX-SFHVURJKSA-N 2 2 360.465 3.131 20 30 FGEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C#N)cc2F)[C@@H]1c1cnn(C)c1 ZINC000376738421 499633265 /nfs/dbraw/zinc/63/32/65/499633265.db2.gz FBUAOBPFZPUYKX-GHTZIAJQSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C#N)cc2F)[C@@H]1c1cnn(C)c1 ZINC000376738421 499633267 /nfs/dbraw/zinc/63/32/67/499633267.db2.gz FBUAOBPFZPUYKX-GHTZIAJQSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(C#N)cc2F)[C@@H]1c1cnn(C)c1 ZINC000376738421 499633268 /nfs/dbraw/zinc/63/32/68/499633268.db2.gz FBUAOBPFZPUYKX-GHTZIAJQSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(C#N)cc2F)[C@@H]1c1cnn(C)c1 ZINC000376738421 499633270 /nfs/dbraw/zinc/63/32/70/499633270.db2.gz FBUAOBPFZPUYKX-GHTZIAJQSA-N 2 2 369.488 3.336 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1OCC ZINC000414861423 499838864 /nfs/dbraw/zinc/83/88/64/499838864.db2.gz FJKIUBWRXDUQMQ-CQSZACIVSA-N 2 2 369.303 3.254 20 30 FGEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000429707715 500126968 /nfs/dbraw/zinc/12/69/68/500126968.db2.gz BTIKWPSZCRHOSP-UHFFFAOYSA-N 2 2 367.449 3.193 20 30 FGEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000429715385 500130130 /nfs/dbraw/zinc/13/01/30/500130130.db2.gz IIDUMXZGOKIZBA-INIZCTEOSA-N 2 2 364.449 3.132 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000596058100 506233164 /nfs/dbraw/zinc/23/31/64/506233164.db2.gz CUCPFRQQSYRPLM-JOCHJYFZSA-N 3 2 366.553 3.234 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000596058100 506233173 /nfs/dbraw/zinc/23/31/73/506233173.db2.gz CUCPFRQQSYRPLM-JOCHJYFZSA-N 3 2 366.553 3.234 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469740797 502527303 /nfs/dbraw/zinc/52/73/03/502527303.db2.gz ANTPLKONFRCBJJ-SUMWQHHRSA-N 2 2 370.840 3.087 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469740797 502527305 /nfs/dbraw/zinc/52/73/05/502527305.db2.gz ANTPLKONFRCBJJ-SUMWQHHRSA-N 2 2 370.840 3.087 20 30 FGEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(C#N)ccc2Br)C1 ZINC000492628754 503377515 /nfs/dbraw/zinc/37/75/15/503377515.db2.gz HRKZTAKUOXYEDD-MRXNPFEDSA-N 2 2 362.315 3.484 20 30 FGEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(C#N)ccc2Br)C1 ZINC000492628754 503377517 /nfs/dbraw/zinc/37/75/17/503377517.db2.gz HRKZTAKUOXYEDD-MRXNPFEDSA-N 2 2 362.315 3.484 20 30 FGEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492628754 503377522 /nfs/dbraw/zinc/37/75/22/503377522.db2.gz HRKZTAKUOXYEDD-MRXNPFEDSA-N 2 2 362.315 3.484 20 30 FGEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492628754 503377525 /nfs/dbraw/zinc/37/75/25/503377525.db2.gz HRKZTAKUOXYEDD-MRXNPFEDSA-N 2 2 362.315 3.484 20 30 FGEDLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(C#N)cc1F ZINC000512631988 503599721 /nfs/dbraw/zinc/59/97/21/503599721.db2.gz VNQUSXDWPQCMAN-MRXNPFEDSA-N 2 2 353.441 3.380 20 30 FGEDLP C=C(C)C[NH+]1CCC(Nc2c(C(=O)OCC)c[nH+]c3ccccc32)CC1 ZINC000517307013 503710042 /nfs/dbraw/zinc/71/00/42/503710042.db2.gz UEQSMXAMUYXRKF-UHFFFAOYSA-N 2 2 353.466 3.286 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000534471080 504150626 /nfs/dbraw/zinc/15/06/26/504150626.db2.gz SYLOETABLKRVAA-IBGZPJMESA-N 2 2 373.460 3.320 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000534471080 504150631 /nfs/dbraw/zinc/15/06/31/504150631.db2.gz SYLOETABLKRVAA-IBGZPJMESA-N 2 2 373.460 3.320 20 30 FGEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542132812 504373594 /nfs/dbraw/zinc/37/35/94/504373594.db2.gz JKGRGGGMYXAZLE-QGZVFWFLSA-N 2 2 365.481 3.274 20 30 FGEDLP C=CCC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccco1 ZINC000560530645 505116249 /nfs/dbraw/zinc/11/62/49/505116249.db2.gz UMAZOHQOCGTGOC-GOSISDBHSA-N 2 2 368.481 3.010 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+](C)CCC[NH+](C)C)cc1OC ZINC000567459255 505469905 /nfs/dbraw/zinc/46/99/05/505469905.db2.gz NZEDAFSGZNROPA-UHFFFAOYSA-N 2 2 371.319 3.406 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+](C)CCC[NH+](C)C)cc1OC ZINC000567459255 505469907 /nfs/dbraw/zinc/46/99/07/505469907.db2.gz NZEDAFSGZNROPA-UHFFFAOYSA-N 2 2 371.319 3.406 20 30 FGEDLP C[C@@H](O)[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000567507677 505484183 /nfs/dbraw/zinc/48/41/83/505484183.db2.gz LHGCXAHAYIOZOO-OPAMFIHVSA-N 2 2 367.468 3.373 20 30 FGEDLP COc1cc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1C#N ZINC000593693055 506735086 /nfs/dbraw/zinc/73/50/86/506735086.db2.gz NDEOYRLOYGOYFM-UHFFFAOYSA-N 2 2 360.461 3.193 20 30 FGEDLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593720053 506747372 /nfs/dbraw/zinc/74/73/72/506747372.db2.gz FMOSKYXEEYMTOY-MRXNPFEDSA-N 2 2 357.498 3.233 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000583557593 506846701 /nfs/dbraw/zinc/84/67/01/506846701.db2.gz QWIRRDKXBKRPEU-GOSISDBHSA-N 2 2 361.555 3.011 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000583557593 506846710 /nfs/dbraw/zinc/84/67/10/506846710.db2.gz QWIRRDKXBKRPEU-GOSISDBHSA-N 2 2 361.555 3.011 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000583557593 506846716 /nfs/dbraw/zinc/84/67/16/506846716.db2.gz QWIRRDKXBKRPEU-GOSISDBHSA-N 2 2 361.555 3.011 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000583557593 506846720 /nfs/dbraw/zinc/84/67/20/506846720.db2.gz QWIRRDKXBKRPEU-GOSISDBHSA-N 2 2 361.555 3.011 20 30 FGEDLP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1OCCCC#N ZINC000594518485 507166975 /nfs/dbraw/zinc/16/69/75/507166975.db2.gz GUMVWTYCHVWJOY-MOPGFXCFSA-N 2 2 357.498 3.484 20 30 FGEDLP COc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1OCCCC#N ZINC000594518485 507166980 /nfs/dbraw/zinc/16/69/80/507166980.db2.gz GUMVWTYCHVWJOY-MOPGFXCFSA-N 2 2 357.498 3.484 20 30 FGEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3nc(C(C)(C)C)ccc3C#N)CC2)CC1 ZINC000591464358 507260005 /nfs/dbraw/zinc/26/00/05/507260005.db2.gz XNBBSVOUECYCKV-UHFFFAOYSA-N 2 2 369.557 3.247 20 30 FGEDLP CC[NH+]1CCC([N@H+]2CCCN(c3nc(C(C)(C)C)ccc3C#N)CC2)CC1 ZINC000591464358 507260011 /nfs/dbraw/zinc/26/00/11/507260011.db2.gz XNBBSVOUECYCKV-UHFFFAOYSA-N 2 2 369.557 3.247 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)CC2)cc1 ZINC000601156643 507281034 /nfs/dbraw/zinc/28/10/34/507281034.db2.gz UQSAXTJJTMXBCE-VXKWHMMOSA-N 2 2 353.510 3.460 20 30 FGEDLP COc1ccc(NC(=[NH2+])NC[C@H](c2cccs2)[NH+](C)C)cc1Cl ZINC000303777563 713788400 /nfs/dbraw/zinc/78/84/00/713788400.db2.gz IYCBZFKIWFOCTL-CYBMUJFWSA-N 2 2 352.891 3.440 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)CC2)cc1 ZINC000776168597 724115479 /nfs/dbraw/zinc/11/54/79/724115479.db2.gz CQMUETJEWOJMOL-AQNXPRMDSA-N 2 2 373.591 3.492 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)CC2)c1 ZINC000846114052 730929928 /nfs/dbraw/zinc/92/99/28/730929928.db2.gz FJEAWWYVGXIZNW-AQNXPRMDSA-N 2 2 373.591 3.492 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080973792 493805642 /nfs/dbraw/zinc/80/56/42/493805642.db2.gz USJIRAONPUBLLM-HOTGVXAUSA-N 2 2 369.444 3.064 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080973792 493805644 /nfs/dbraw/zinc/80/56/44/493805644.db2.gz USJIRAONPUBLLM-HOTGVXAUSA-N 2 2 369.444 3.064 20 30 FGEDLP N#Cc1csc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000580259743 505715581 /nfs/dbraw/zinc/71/55/81/505715581.db2.gz VDSXOMVUIXRESB-HXUWFJFHSA-N 2 2 366.534 3.012 20 30 FGEDLP N#Cc1csc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000580259743 505715582 /nfs/dbraw/zinc/71/55/82/505715582.db2.gz VDSXOMVUIXRESB-HXUWFJFHSA-N 2 2 366.534 3.012 20 30 FGEDLP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+](Cc4ccc(F)cc4)CC3)n2c1 ZINC000123365237 495121383 /nfs/dbraw/zinc/12/13/83/495121383.db2.gz PEGDLMJRLLJGCF-UHFFFAOYSA-N 2 2 363.440 3.099 20 30 FGEDLP N#CCCn1cc(C[NH2+]CCc2cn3ccccc3[nH+]2)c(-c2ccccc2)n1 ZINC000113319363 495296430 /nfs/dbraw/zinc/29/64/30/495296430.db2.gz VVDTVVGTAVBEKC-UHFFFAOYSA-N 2 2 370.460 3.444 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150789290 495635680 /nfs/dbraw/zinc/63/56/80/495635680.db2.gz LYLRVPOSKGSWCB-ZWKOTPCHSA-N 2 2 361.555 3.069 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150789290 495635684 /nfs/dbraw/zinc/63/56/84/495635684.db2.gz LYLRVPOSKGSWCB-ZWKOTPCHSA-N 2 2 361.555 3.069 20 30 FGEDLP N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000182803442 495708665 /nfs/dbraw/zinc/70/86/65/495708665.db2.gz FQMZCLVPFORKRG-FPOVZHCZSA-N 2 2 366.509 3.004 20 30 FGEDLP N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000182803442 495708673 /nfs/dbraw/zinc/70/86/73/495708673.db2.gz FQMZCLVPFORKRG-FPOVZHCZSA-N 2 2 366.509 3.004 20 30 FGEDLP N#Cc1ccccc1CSCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000177821015 496210616 /nfs/dbraw/zinc/21/06/16/496210616.db2.gz OJCZNZMSWXYHED-UHFFFAOYSA-N 2 2 366.534 3.441 20 30 FGEDLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000156413742 496238732 /nfs/dbraw/zinc/23/87/32/496238732.db2.gz TYIQZRMOAKFUPZ-WBVHZDCISA-N 2 2 369.494 3.020 20 30 FGEDLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000156413742 496238733 /nfs/dbraw/zinc/23/87/33/496238733.db2.gz TYIQZRMOAKFUPZ-WBVHZDCISA-N 2 2 369.494 3.020 20 30 FGEDLP C=CC[C@@H](CO)[NH2+]Cc1ccc(OCc2cn3cccc(C)c3[nH+]2)cc1 ZINC000184273125 496313802 /nfs/dbraw/zinc/31/38/02/496313802.db2.gz ZTXCNTMIJRCVPM-SFHVURJKSA-N 2 2 351.450 3.248 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157454254 496480061 /nfs/dbraw/zinc/48/00/61/496480061.db2.gz VFKDEEYZSROHQC-UXHICEINSA-N 2 2 368.525 3.272 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157454254 496480063 /nfs/dbraw/zinc/48/00/63/496480063.db2.gz VFKDEEYZSROHQC-UXHICEINSA-N 2 2 368.525 3.272 20 30 FGEDLP C[NH+](C)CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000181763627 496534706 /nfs/dbraw/zinc/53/47/06/496534706.db2.gz GBCXMQAAFXIVLJ-NRFANRHFSA-N 3 2 356.558 3.479 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247189529 496802268 /nfs/dbraw/zinc/80/22/68/496802268.db2.gz VFKDEEYZSROHQC-VQTJNVASSA-N 2 2 368.525 3.272 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247189529 496802273 /nfs/dbraw/zinc/80/22/73/496802273.db2.gz VFKDEEYZSROHQC-VQTJNVASSA-N 2 2 368.525 3.272 20 30 FGEDLP C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000330250218 498078297 /nfs/dbraw/zinc/07/82/97/498078297.db2.gz MWCSPBJYKNTIKR-SJKOYZFVSA-N 2 2 367.396 3.012 20 30 FGEDLP C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000330250218 498078301 /nfs/dbraw/zinc/07/83/01/498078301.db2.gz MWCSPBJYKNTIKR-SJKOYZFVSA-N 2 2 367.396 3.012 20 30 FGEDLP C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000330250218 498078306 /nfs/dbraw/zinc/07/83/06/498078306.db2.gz MWCSPBJYKNTIKR-SJKOYZFVSA-N 2 2 367.396 3.012 20 30 FGEDLP C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000330250218 498078310 /nfs/dbraw/zinc/07/83/10/498078310.db2.gz MWCSPBJYKNTIKR-SJKOYZFVSA-N 2 2 367.396 3.012 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293072045 498258643 /nfs/dbraw/zinc/25/86/43/498258643.db2.gz VMTNGIVECQNHJL-FXAWDEMLSA-N 2 2 361.555 3.069 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293072045 498258648 /nfs/dbraw/zinc/25/86/48/498258648.db2.gz VMTNGIVECQNHJL-FXAWDEMLSA-N 2 2 361.555 3.069 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293072045 498258655 /nfs/dbraw/zinc/25/86/55/498258655.db2.gz VMTNGIVECQNHJL-FXAWDEMLSA-N 2 2 361.555 3.069 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293072045 498258660 /nfs/dbraw/zinc/25/86/60/498258660.db2.gz VMTNGIVECQNHJL-FXAWDEMLSA-N 2 2 361.555 3.069 20 30 FGEDLP CC1CC[NH+](C2CCC(NC(=O)NCc3cn4c([nH+]3)CCCC4)CC2)CC1 ZINC000328638391 498885086 /nfs/dbraw/zinc/88/50/86/498885086.db2.gz BLOOZVINEKNFMX-UHFFFAOYSA-N 2 2 373.545 3.266 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000328863423 498965442 /nfs/dbraw/zinc/96/54/42/498965442.db2.gz MHOMRFHSWFLRJS-JQHSSLGASA-N 2 2 369.513 3.206 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000328863423 498965446 /nfs/dbraw/zinc/96/54/46/498965446.db2.gz MHOMRFHSWFLRJS-JQHSSLGASA-N 2 2 369.513 3.206 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000328863423 498965452 /nfs/dbraw/zinc/96/54/52/498965452.db2.gz MHOMRFHSWFLRJS-JQHSSLGASA-N 2 2 369.513 3.206 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000328863423 498965455 /nfs/dbraw/zinc/96/54/55/498965455.db2.gz MHOMRFHSWFLRJS-JQHSSLGASA-N 2 2 369.513 3.206 20 30 FGEDLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329253196 499084517 /nfs/dbraw/zinc/08/45/17/499084517.db2.gz ZAYOKZOMXKOQFI-WMLDXEAASA-N 2 2 360.458 3.126 20 30 FGEDLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000329253196 499084523 /nfs/dbraw/zinc/08/45/23/499084523.db2.gz ZAYOKZOMXKOQFI-WMLDXEAASA-N 2 2 360.458 3.126 20 30 FGEDLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H]1CCc3[nH+]c(C(C)(C)C)cn3C1)C2 ZINC000329524504 499129182 /nfs/dbraw/zinc/12/91/82/499129182.db2.gz QLKXQMVTSUNCJI-GJZGRUSLSA-N 2 2 355.486 3.219 20 30 FGEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(F)cc1C#N ZINC000371155299 499294010 /nfs/dbraw/zinc/29/40/10/499294010.db2.gz HBSHDYDMVIFINC-UHFFFAOYSA-N 3 2 372.532 3.325 20 30 FGEDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(F)cc1C#N ZINC000371155299 499294011 /nfs/dbraw/zinc/29/40/11/499294011.db2.gz HBSHDYDMVIFINC-UHFFFAOYSA-N 3 2 372.532 3.325 20 30 FGEDLP COc1cc(C#N)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375516177 499527293 /nfs/dbraw/zinc/52/72/93/499527293.db2.gz YMRBOCQDNXIBBF-AUUYWEPGSA-N 2 2 370.522 3.332 20 30 FGEDLP COc1cc(C#N)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375516177 499527294 /nfs/dbraw/zinc/52/72/94/499527294.db2.gz YMRBOCQDNXIBBF-AUUYWEPGSA-N 2 2 370.522 3.332 20 30 FGEDLP C[N@H+](CCC1(C#N)CCCCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000411563427 499763715 /nfs/dbraw/zinc/76/37/15/499763715.db2.gz BMWXMPBHIXWXHX-QFIPXVFZSA-N 2 2 355.526 3.419 20 30 FGEDLP C[N@@H+](CCC1(C#N)CCCCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000411563427 499763717 /nfs/dbraw/zinc/76/37/17/499763717.db2.gz BMWXMPBHIXWXHX-QFIPXVFZSA-N 2 2 355.526 3.419 20 30 FGEDLP C[NH+](CCC1(C#N)CCCCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000411563427 499763718 /nfs/dbraw/zinc/76/37/18/499763718.db2.gz BMWXMPBHIXWXHX-QFIPXVFZSA-N 2 2 355.526 3.419 20 30 FGEDLP C[NH+](CCC1(C#N)CCCCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000411563427 499763720 /nfs/dbraw/zinc/76/37/20/499763720.db2.gz BMWXMPBHIXWXHX-QFIPXVFZSA-N 2 2 355.526 3.419 20 30 FGEDLP C=C[C@@H](CC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422025961 500200723 /nfs/dbraw/zinc/20/07/23/500200723.db2.gz TZGPVMQQQSBNPQ-FQEVSTJZSA-N 2 2 369.553 3.365 20 30 FGEDLP C=C[C@@H](CC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422025961 500200725 /nfs/dbraw/zinc/20/07/25/500200725.db2.gz TZGPVMQQQSBNPQ-FQEVSTJZSA-N 2 2 369.553 3.365 20 30 FGEDLP C=CCOc1ccccc1C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428435068 500510066 /nfs/dbraw/zinc/51/00/66/500510066.db2.gz YKIUUNCXKPYSCY-QHCPKHFHSA-N 2 2 366.505 3.320 20 30 FGEDLP C=CCOc1ccccc1C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428435068 500510069 /nfs/dbraw/zinc/51/00/69/500510069.db2.gz YKIUUNCXKPYSCY-QHCPKHFHSA-N 2 2 366.505 3.320 20 30 FGEDLP C=CCOc1ccccc1C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428435068 500510072 /nfs/dbraw/zinc/51/00/72/500510072.db2.gz YKIUUNCXKPYSCY-QHCPKHFHSA-N 2 2 366.505 3.320 20 30 FGEDLP C=CCOc1ccccc1C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428435068 500510074 /nfs/dbraw/zinc/51/00/74/500510074.db2.gz YKIUUNCXKPYSCY-QHCPKHFHSA-N 2 2 366.505 3.320 20 30 FGEDLP C=CCCCC[C@@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000449119657 500929536 /nfs/dbraw/zinc/92/95/36/500929536.db2.gz AKLWYQBQSWGLDP-MOPGFXCFSA-N 2 2 373.545 3.007 20 30 FGEDLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000451260509 501255885 /nfs/dbraw/zinc/25/58/85/501255885.db2.gz UQMDDQCWDMOVKA-UHFFFAOYSA-N 2 2 372.875 3.392 20 30 FGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000483580516 502436235 /nfs/dbraw/zinc/43/62/35/502436235.db2.gz HVKPFVSLVJDXRB-UHFFFAOYSA-N 2 2 357.461 3.375 20 30 FGEDLP Cc1[nH+]c2ccccc2n1CCCCC[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602848190 506325187 /nfs/dbraw/zinc/32/51/87/506325187.db2.gz FICIEJQRPKIIIO-QZTJIDSGSA-N 2 2 353.514 3.433 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](CO)CC3CCCC3)CC2)cc1 ZINC000463236594 502732331 /nfs/dbraw/zinc/73/23/31/502732331.db2.gz IIUXGGOXNTXQON-OAQYLSRUSA-N 2 2 355.526 3.301 20 30 FGEDLP N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000548294998 504389924 /nfs/dbraw/zinc/38/99/24/504389924.db2.gz DZVXADFDYAWTDQ-FQEVSTJZSA-N 2 2 358.445 3.438 20 30 FGEDLP C[C@H](O)[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000567507676 505483680 /nfs/dbraw/zinc/48/36/80/505483680.db2.gz LHGCXAHAYIOZOO-KSFYIVLOSA-N 2 2 367.468 3.373 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000593688369 506730289 /nfs/dbraw/zinc/73/02/89/506730289.db2.gz PQIQGNFLKZBYKQ-UHFFFAOYSA-N 2 2 350.422 3.221 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157726 506797983 /nfs/dbraw/zinc/79/79/83/506797983.db2.gz SAQWJVHLUJCVAY-XJKSGUPXSA-N 2 2 357.845 3.072 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157726 506797988 /nfs/dbraw/zinc/79/79/88/506797988.db2.gz SAQWJVHLUJCVAY-XJKSGUPXSA-N 2 2 357.845 3.072 20 30 FGEDLP C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000600731632 507088682 /nfs/dbraw/zinc/08/86/82/507088682.db2.gz NNZXIVZSBZTBNL-RKVPGOIHSA-N 2 2 365.880 3.116 20 30 FGEDLP C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000600731632 507088686 /nfs/dbraw/zinc/08/86/86/507088686.db2.gz NNZXIVZSBZTBNL-RKVPGOIHSA-N 2 2 365.880 3.116 20 30 FGEDLP C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000600731631 507089343 /nfs/dbraw/zinc/08/93/43/507089343.db2.gz NNZXIVZSBZTBNL-IIDMSEBBSA-N 2 2 365.880 3.116 20 30 FGEDLP C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000600731631 507089352 /nfs/dbraw/zinc/08/93/52/507089352.db2.gz NNZXIVZSBZTBNL-IIDMSEBBSA-N 2 2 365.880 3.116 20 30 FGEDLP N#Cc1ccsc1NC(=O)CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595509683 507537475 /nfs/dbraw/zinc/53/74/75/507537475.db2.gz HNYHITVFVNBJOV-UHFFFAOYSA-N 2 2 368.506 3.203 20 30 FGEDLP N#Cc1ccc(NC(=O)C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000595552647 507556796 /nfs/dbraw/zinc/55/67/96/507556796.db2.gz YFDOAXYJTWAXQQ-UHFFFAOYSA-N 2 2 373.460 3.328 20 30 FGEDLP C[C@H](c1ccccc1)[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611438901 507682741 /nfs/dbraw/zinc/68/27/41/507682741.db2.gz MAPWTXVYVCVLCX-WZONZLPQSA-N 2 2 363.505 3.277 20 30 FGEDLP CC(C)Oc1ccc(NC(=[NH2+])NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000303880380 713789389 /nfs/dbraw/zinc/78/93/89/713789389.db2.gz KFZNRPICMLRVRZ-UHFFFAOYSA-N 2 2 358.511 3.320 20 30 FGEDLP CC(C)Oc1ccc(NC(=[NH2+])NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000303880380 713789392 /nfs/dbraw/zinc/78/93/92/713789392.db2.gz KFZNRPICMLRVRZ-UHFFFAOYSA-N 2 2 358.511 3.320 20 30 FGEDLP C=C(C)CNC(=[NH2+])NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000303876454 713789477 /nfs/dbraw/zinc/78/94/77/713789477.db2.gz FAYYUOGVUWMIFQ-GOSISDBHSA-N 2 2 354.523 3.328 20 30 FGEDLP C=C(C)CNC(=[NH2+])NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000303876454 713789481 /nfs/dbraw/zinc/78/94/81/713789481.db2.gz FAYYUOGVUWMIFQ-GOSISDBHSA-N 2 2 354.523 3.328 20 30 FGEDLP CCNC(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)=[NH+]CC ZINC000727241489 722442511 /nfs/dbraw/zinc/44/25/11/722442511.db2.gz TZWLQOZKNOXLHC-GOSISDBHSA-N 2 2 356.539 3.423 20 30 FGEDLP CCNC(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)=[NH+]CC ZINC000727241489 722442512 /nfs/dbraw/zinc/44/25/12/722442512.db2.gz TZWLQOZKNOXLHC-GOSISDBHSA-N 2 2 356.539 3.423 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000834571419 729815367 /nfs/dbraw/zinc/81/53/67/729815367.db2.gz SVVUXKCRZGCZGP-MSOLQXFVSA-N 2 2 351.535 3.405 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)CC1 ZINC000892880791 740053794 /nfs/dbraw/zinc/05/37/94/740053794.db2.gz JNEFIDPSZKOIJQ-OAGGEKHMSA-N 2 2 362.436 3.137 20 30 FGEDLP C=CCOc1ccc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1Cl ZINC000903974409 743907090 /nfs/dbraw/zinc/90/70/90/743907090.db2.gz PXKNAULIDMGRQQ-MRXNPFEDSA-N 2 2 350.890 3.153 20 30 FGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000081095106 493830685 /nfs/dbraw/zinc/83/06/85/493830685.db2.gz RSMUXODUNBTBPF-TZIWHRDSSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000081095106 493830688 /nfs/dbraw/zinc/83/06/88/493830688.db2.gz RSMUXODUNBTBPF-TZIWHRDSSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000081095106 493830689 /nfs/dbraw/zinc/83/06/89/493830689.db2.gz RSMUXODUNBTBPF-TZIWHRDSSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000081095106 493830691 /nfs/dbraw/zinc/83/06/91/493830691.db2.gz RSMUXODUNBTBPF-TZIWHRDSSA-N 2 2 370.541 3.212 20 30 FGEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)cn1 ZINC000121161937 494624246 /nfs/dbraw/zinc/62/42/46/494624246.db2.gz TVTXOFJXXXPPCC-UHFFFAOYSA-N 2 2 360.465 3.215 20 30 FGEDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cnc4ccc(C#N)cn34)C2)CC1 ZINC000092587701 494678344 /nfs/dbraw/zinc/67/83/44/494678344.db2.gz CQFIEEHUTHZTLV-IBGZPJMESA-N 2 2 351.498 3.150 20 30 FGEDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)CC1 ZINC000092587701 494678347 /nfs/dbraw/zinc/67/83/47/494678347.db2.gz CQFIEEHUTHZTLV-IBGZPJMESA-N 2 2 351.498 3.150 20 30 FGEDLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cnc4ccc(C#N)cn34)C2)CC1 ZINC000092587702 494678378 /nfs/dbraw/zinc/67/83/78/494678378.db2.gz CQFIEEHUTHZTLV-LJQANCHMSA-N 2 2 351.498 3.150 20 30 FGEDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)CC1 ZINC000092587702 494678382 /nfs/dbraw/zinc/67/83/82/494678382.db2.gz CQFIEEHUTHZTLV-LJQANCHMSA-N 2 2 351.498 3.150 20 30 FGEDLP N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000134936571 495226905 /nfs/dbraw/zinc/22/69/05/495226905.db2.gz KHKNITCNWFXFPY-IEBWSBKVSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)cc1 ZINC000134936571 495226908 /nfs/dbraw/zinc/22/69/08/495226908.db2.gz KHKNITCNWFXFPY-IEBWSBKVSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1ccc(-c2nnc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)o2)cc1 ZINC000134936571 495226912 /nfs/dbraw/zinc/22/69/12/495226912.db2.gz KHKNITCNWFXFPY-IEBWSBKVSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1ccc(-c2nnc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)o2)cc1 ZINC000134936571 495226917 /nfs/dbraw/zinc/22/69/17/495226917.db2.gz KHKNITCNWFXFPY-IEBWSBKVSA-N 2 2 363.465 3.057 20 30 FGEDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)CC1 ZINC000154735514 495711719 /nfs/dbraw/zinc/71/17/19/495711719.db2.gz CNHJJKSLKHWIQX-FQEVSTJZSA-N 2 2 374.573 3.115 20 30 FGEDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)N(C)C3(C#N)CCCCC3)C2)CC1 ZINC000154735514 495711723 /nfs/dbraw/zinc/71/17/23/495711723.db2.gz CNHJJKSLKHWIQX-FQEVSTJZSA-N 2 2 374.573 3.115 20 30 FGEDLP N#C[C@@H]1CCC[C@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185785716 495724947 /nfs/dbraw/zinc/72/49/47/495724947.db2.gz XTSXAJFHUFVVQP-YADHBBJMSA-N 2 2 354.542 3.256 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000152393965 496137309 /nfs/dbraw/zinc/13/73/09/496137309.db2.gz XPOSXOKMQTVLGB-WOJBJXKFSA-N 2 2 370.541 3.212 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000152393965 496137316 /nfs/dbraw/zinc/13/73/16/496137316.db2.gz XPOSXOKMQTVLGB-WOJBJXKFSA-N 2 2 370.541 3.212 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000152393965 496137321 /nfs/dbraw/zinc/13/73/21/496137321.db2.gz XPOSXOKMQTVLGB-WOJBJXKFSA-N 2 2 370.541 3.212 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000152393965 496137328 /nfs/dbraw/zinc/13/73/28/496137328.db2.gz XPOSXOKMQTVLGB-WOJBJXKFSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181125465 496279163 /nfs/dbraw/zinc/27/91/63/496279163.db2.gz QLNPXYKYCUJATH-OAHLLOKOSA-N 2 2 350.304 3.484 20 30 FGEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181125465 496279166 /nfs/dbraw/zinc/27/91/66/496279166.db2.gz QLNPXYKYCUJATH-OAHLLOKOSA-N 2 2 350.304 3.484 20 30 FGEDLP C=CC[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000188283163 496739712 /nfs/dbraw/zinc/73/97/12/496739712.db2.gz PVVAZAVRRXINBV-OAQYLSRUSA-N 2 2 369.553 3.413 20 30 FGEDLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3ccc(C#N)o3)[nH+]c12 ZINC000273363624 496783865 /nfs/dbraw/zinc/78/38/65/496783865.db2.gz DAAUXUGMTGXVLA-UHFFFAOYSA-N 2 2 359.227 3.202 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266749980 497411913 /nfs/dbraw/zinc/41/19/13/497411913.db2.gz NSQNEWNLUGXCGG-HNNXBMFYSA-N 2 2 358.511 3.254 20 30 FGEDLP C[NH+]=C(NCCc1csc(C(C)C)n1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261953617 497482939 /nfs/dbraw/zinc/48/29/39/497482939.db2.gz IBZPBTUYVXJWPG-WBVHZDCISA-N 2 2 374.558 3.164 20 30 FGEDLP N#CCCN(C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000268286075 497719913 /nfs/dbraw/zinc/71/99/13/497719913.db2.gz CGRCJCHFZZDFGJ-HNNXBMFYSA-N 2 2 371.872 3.189 20 30 FGEDLP N#CCCN(C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(Cl)c1 ZINC000268286075 497719917 /nfs/dbraw/zinc/71/99/17/497719917.db2.gz CGRCJCHFZZDFGJ-HNNXBMFYSA-N 2 2 371.872 3.189 20 30 FGEDLP N#Cc1ccc2ncc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)n2c1 ZINC000581197050 505931670 /nfs/dbraw/zinc/93/16/70/505931670.db2.gz PMACZHFNCOHVSQ-NHCUHLMSSA-N 2 2 371.488 3.160 20 30 FGEDLP N#Cc1ccc2ncc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)n2c1 ZINC000581197050 505931676 /nfs/dbraw/zinc/93/16/76/505931676.db2.gz PMACZHFNCOHVSQ-NHCUHLMSSA-N 2 2 371.488 3.160 20 30 FGEDLP N#Cc1ccc2ncc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)n2c1 ZINC000581197050 505931681 /nfs/dbraw/zinc/93/16/81/505931681.db2.gz PMACZHFNCOHVSQ-NHCUHLMSSA-N 2 2 371.488 3.160 20 30 FGEDLP N#Cc1ccc2ncc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)n2c1 ZINC000581197050 505931686 /nfs/dbraw/zinc/93/16/86/505931686.db2.gz PMACZHFNCOHVSQ-NHCUHLMSSA-N 2 2 371.488 3.160 20 30 FGEDLP C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329705019 497874990 /nfs/dbraw/zinc/87/49/90/497874990.db2.gz JUJNYEIJGOMSHU-RDJZCZTQSA-N 2 2 359.518 3.156 20 30 FGEDLP C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329705019 497874995 /nfs/dbraw/zinc/87/49/95/497874995.db2.gz JUJNYEIJGOMSHU-RDJZCZTQSA-N 2 2 359.518 3.156 20 30 FGEDLP COc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1O ZINC000289424527 498142478 /nfs/dbraw/zinc/14/24/78/498142478.db2.gz JQZZFCAQTLCEPZ-UHFFFAOYSA-N 2 2 351.450 3.027 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3COc4ccccc4C3)CC2)cc1 ZINC000362040782 498457646 /nfs/dbraw/zinc/45/76/46/498457646.db2.gz QIKQDFSVBRUYDU-FQEVSTJZSA-N 2 2 361.489 3.364 20 30 FGEDLP C=C(Br)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370190359 499195448 /nfs/dbraw/zinc/19/54/48/499195448.db2.gz FXBNRQWKHRIZHQ-UHFFFAOYSA-N 3 2 358.368 3.023 20 30 FGEDLP C=C(Br)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370190359 499195452 /nfs/dbraw/zinc/19/54/52/499195452.db2.gz FXBNRQWKHRIZHQ-UHFFFAOYSA-N 3 2 358.368 3.023 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]C1CCN(C(=O)c2ccco2)CC1)C(C)C ZINC000370670227 499242276 /nfs/dbraw/zinc/24/22/76/499242276.db2.gz YKGGFQLKAJKAOE-IBGZPJMESA-N 2 2 359.514 3.172 20 30 FGEDLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000368054502 499259950 /nfs/dbraw/zinc/25/99/50/499259950.db2.gz DSEITNXQACTDLN-UHFFFAOYSA-N 2 2 370.478 3.195 20 30 FGEDLP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO[C@H]1C1CC1 ZINC000368651035 499317292 /nfs/dbraw/zinc/31/72/92/499317292.db2.gz FJCBDUOQAWYHOM-FCHUYYIVSA-N 2 2 353.510 3.317 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc(F)cc3C#N)[C@@H](C)C2)s1 ZINC000368965604 499351360 /nfs/dbraw/zinc/35/13/60/499351360.db2.gz LGFDUBXIZSPBNK-DJJJIMSYSA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc(F)cc3C#N)[C@@H](C)C2)s1 ZINC000368965604 499351362 /nfs/dbraw/zinc/35/13/62/499351362.db2.gz LGFDUBXIZSPBNK-DJJJIMSYSA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCOc3ccccc3C#N)[C@H](C)C2)s1 ZINC000368965418 499351491 /nfs/dbraw/zinc/35/14/91/499351491.db2.gz KKICXHCVWDVBPG-DNVCBOLYSA-N 2 2 370.522 3.202 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCOc3ccccc3C#N)[C@H](C)C2)s1 ZINC000368965418 499351492 /nfs/dbraw/zinc/35/14/92/499351492.db2.gz KKICXHCVWDVBPG-DNVCBOLYSA-N 2 2 370.522 3.202 20 30 FGEDLP C[N@@H+]1CCC[C@H](C[NH2+]CC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000375487312 499525117 /nfs/dbraw/zinc/52/51/17/499525117.db2.gz ZZLZUSUZRDELEI-DENIHFKCSA-N 2 2 362.477 3.169 20 30 FGEDLP C[N@H+]1CCC[C@H](C[NH2+]CC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccccc1 ZINC000375487312 499525119 /nfs/dbraw/zinc/52/51/19/499525119.db2.gz ZZLZUSUZRDELEI-DENIHFKCSA-N 2 2 362.477 3.169 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3cc(C#N)ccc3F)[C@H](C)C2)s1 ZINC000375514377 499527211 /nfs/dbraw/zinc/52/72/11/499527211.db2.gz NPVVRZQOUQRIGE-YJYMSZOUSA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3cc(C#N)ccc3F)[C@H](C)C2)s1 ZINC000375514377 499527213 /nfs/dbraw/zinc/52/72/13/499527213.db2.gz NPVVRZQOUQRIGE-YJYMSZOUSA-N 2 2 358.486 3.463 20 30 FGEDLP COc1cc(C#N)ccc1C[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375516179 499527658 /nfs/dbraw/zinc/52/76/58/499527658.db2.gz YMRBOCQDNXIBBF-KUHUBIRLSA-N 2 2 370.522 3.332 20 30 FGEDLP COc1cc(C#N)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000375516179 499527660 /nfs/dbraw/zinc/52/76/60/499527660.db2.gz YMRBOCQDNXIBBF-KUHUBIRLSA-N 2 2 370.522 3.332 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000582181483 506153257 /nfs/dbraw/zinc/15/32/57/506153257.db2.gz ZRLVMGSZVLKDSV-CYBMUJFWSA-N 2 2 369.303 3.193 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1OC ZINC000582181483 506153260 /nfs/dbraw/zinc/15/32/60/506153260.db2.gz ZRLVMGSZVLKDSV-CYBMUJFWSA-N 2 2 369.303 3.193 20 30 FGEDLP Cc1ccc(C2CC[NH+]([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)c[nH+]1 ZINC000377241552 499673175 /nfs/dbraw/zinc/67/31/75/499673175.db2.gz QISCQICPMHMUFV-GOSISDBHSA-N 2 2 366.490 3.308 20 30 FGEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000377655171 499716258 /nfs/dbraw/zinc/71/62/58/499716258.db2.gz XZUFGCYWDNPVOI-MRXNPFEDSA-N 2 2 364.449 3.132 20 30 FGEDLP COc1ccc([C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422992056 500328644 /nfs/dbraw/zinc/32/86/44/500328644.db2.gz QNJOWLBZPDUFMV-SFTDATJTSA-N 2 2 351.450 3.029 20 30 FGEDLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000420987091 500548753 /nfs/dbraw/zinc/54/87/53/500548753.db2.gz ZWGTXXAPAQRUFJ-UHFFFAOYSA-N 2 2 360.933 3.204 20 30 FGEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000420987091 500548754 /nfs/dbraw/zinc/54/87/54/500548754.db2.gz ZWGTXXAPAQRUFJ-UHFFFAOYSA-N 2 2 360.933 3.204 20 30 FGEDLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000420987091 500548755 /nfs/dbraw/zinc/54/87/55/500548755.db2.gz ZWGTXXAPAQRUFJ-UHFFFAOYSA-N 2 2 360.933 3.204 20 30 FGEDLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C#N)cc3Cl)CC2)CC1 ZINC000420987091 500548756 /nfs/dbraw/zinc/54/87/56/500548756.db2.gz ZWGTXXAPAQRUFJ-UHFFFAOYSA-N 2 2 360.933 3.204 20 30 FGEDLP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc(C[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000459482069 501661159 /nfs/dbraw/zinc/66/11/59/501661159.db2.gz QUPROWXBBVHZMA-GHSBBIOCSA-N 2 2 352.482 3.259 20 30 FGEDLP Cn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000479948120 502428849 /nfs/dbraw/zinc/42/88/49/502428849.db2.gz KCIVABQWWUUFKX-QFIPXVFZSA-N 2 2 371.488 3.323 20 30 FGEDLP Cn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000479948120 502428853 /nfs/dbraw/zinc/42/88/53/502428853.db2.gz KCIVABQWWUUFKX-QFIPXVFZSA-N 2 2 371.488 3.323 20 30 FGEDLP C=CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC1CCCCC1 ZINC000484572213 502672942 /nfs/dbraw/zinc/67/29/42/502672942.db2.gz VVYVOZXTTSPHIK-UHFFFAOYSA-N 2 2 370.541 3.189 20 30 FGEDLP C=CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CC1CCCCC1 ZINC000484572213 502672946 /nfs/dbraw/zinc/67/29/46/502672946.db2.gz VVYVOZXTTSPHIK-UHFFFAOYSA-N 2 2 370.541 3.189 20 30 FGEDLP C[NH+](C)CCN(Cc1cn2cc(Cl)ccc2[nH+]1)Cc1ccc(C#N)cc1 ZINC000514692811 503169338 /nfs/dbraw/zinc/16/93/38/503169338.db2.gz FYUVPENZKWUNRR-UHFFFAOYSA-N 2 2 367.884 3.423 20 30 FGEDLP C=CCC[C@@H](O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510946426 503222930 /nfs/dbraw/zinc/22/29/30/503222930.db2.gz BHICLWDIYIQYBK-CQSZACIVSA-N 2 2 368.275 3.068 20 30 FGEDLP C=CCC[C@@H](O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510946426 503222932 /nfs/dbraw/zinc/22/29/32/503222932.db2.gz BHICLWDIYIQYBK-CQSZACIVSA-N 2 2 368.275 3.068 20 30 FGEDLP C[NH+](Cc1cncc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602982890 506372339 /nfs/dbraw/zinc/37/23/39/506372339.db2.gz ZOYIESHTJDFHJN-XRXFAXGQSA-N 2 2 351.498 3.330 20 30 FGEDLP C[NH+](Cc1cncc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602982890 506372343 /nfs/dbraw/zinc/37/23/43/506372343.db2.gz ZOYIESHTJDFHJN-XRXFAXGQSA-N 2 2 351.498 3.330 20 30 FGEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)cc1F ZINC000512668881 503607837 /nfs/dbraw/zinc/60/78/37/503607837.db2.gz WZIJRBYJNMCFTH-NBCNXNJRSA-N 2 2 367.468 3.231 20 30 FGEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)cc1F ZINC000512668881 503607838 /nfs/dbraw/zinc/60/78/38/503607838.db2.gz WZIJRBYJNMCFTH-NBCNXNJRSA-N 2 2 367.468 3.231 20 30 FGEDLP Cc1sc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C#N)c1C ZINC000533271742 503786948 /nfs/dbraw/zinc/78/69/48/503786948.db2.gz UABDXTURJWAMIN-UHFFFAOYSA-N 2 2 362.543 3.227 20 30 FGEDLP Cc1sc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C#N)c1C ZINC000533271742 503786952 /nfs/dbraw/zinc/78/69/52/503786952.db2.gz UABDXTURJWAMIN-UHFFFAOYSA-N 2 2 362.543 3.227 20 30 FGEDLP CC(C)(C)OC(=O)CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000561468622 505354804 /nfs/dbraw/zinc/35/48/04/505354804.db2.gz UYPWVRAPTPLEQA-UHFFFAOYSA-N 2 2 357.498 3.234 20 30 FGEDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1F ZINC000596650653 506511229 /nfs/dbraw/zinc/51/12/29/506511229.db2.gz JECTVHNBOUGQHR-YYWHXJBOSA-N 2 2 365.452 3.429 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)c1 ZINC000601284612 507321679 /nfs/dbraw/zinc/32/16/79/507321679.db2.gz LJVSCBUVSBMEBI-HBMCJLEFSA-N 2 2 351.494 3.070 20 30 FGEDLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594996785 507346756 /nfs/dbraw/zinc/34/67/56/507346756.db2.gz ZPBPTTCLFRHXOW-QHCPKHFHSA-N 2 2 374.532 3.148 20 30 FGEDLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594996785 507346762 /nfs/dbraw/zinc/34/67/62/507346762.db2.gz ZPBPTTCLFRHXOW-QHCPKHFHSA-N 2 2 374.532 3.148 20 30 FGEDLP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000598722140 507568293 /nfs/dbraw/zinc/56/82/93/507568293.db2.gz AELYJJOEXIDZSM-RVKKMQEKSA-N 2 2 367.896 3.362 20 30 FGEDLP C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000598722140 507568301 /nfs/dbraw/zinc/56/83/01/507568301.db2.gz AELYJJOEXIDZSM-RVKKMQEKSA-N 2 2 367.896 3.362 20 30 FGEDLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000595904938 507736090 /nfs/dbraw/zinc/73/60/90/507736090.db2.gz GRGKJTLLGHKSNX-INIZCTEOSA-N 2 2 355.404 3.120 20 30 FGEDLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000595904938 507736093 /nfs/dbraw/zinc/73/60/93/507736093.db2.gz GRGKJTLLGHKSNX-INIZCTEOSA-N 2 2 355.404 3.120 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(I)s2)CC1 ZINC000602541104 507742383 /nfs/dbraw/zinc/74/23/83/507742383.db2.gz SKMRNDGJAOUJBD-UHFFFAOYSA-N 2 2 362.280 3.093 20 30 FGEDLP C[NH+]=C(NCC(C)(C)c1cccs1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261976551 713716783 /nfs/dbraw/zinc/71/67/83/713716783.db2.gz NTRVNHFGTBFJLG-HOTGVXAUSA-N 2 2 359.543 3.381 20 30 FGEDLP C=CCSc1nc2ccccc2n1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000755790416 722956995 /nfs/dbraw/zinc/95/69/95/722956995.db2.gz OBQCJRQXVWPSPZ-OAHLLOKOSA-N 2 2 353.495 3.495 20 30 FGEDLP C=CCSc1nc2ccccc2n1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000755790416 722956996 /nfs/dbraw/zinc/95/69/96/722956996.db2.gz OBQCJRQXVWPSPZ-OAHLLOKOSA-N 2 2 353.495 3.495 20 30 FGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOc2ccc(Cl)c(F)c2)cc1 ZINC000790503773 723146521 /nfs/dbraw/zinc/14/65/21/723146521.db2.gz MUTKBLIJKANVLM-UHFFFAOYSA-N 2 2 365.836 3.257 20 30 FGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000815651971 727088860 /nfs/dbraw/zinc/08/88/60/727088860.db2.gz KQLQNXGHGTWEHY-QZTJIDSGSA-N 2 2 365.315 3.214 20 30 FGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000815651971 727088864 /nfs/dbraw/zinc/08/88/64/727088864.db2.gz KQLQNXGHGTWEHY-QZTJIDSGSA-N 2 2 365.315 3.214 20 30 FGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000815651970 727089033 /nfs/dbraw/zinc/08/90/33/727089033.db2.gz KQLQNXGHGTWEHY-MSOLQXFVSA-N 2 2 365.315 3.214 20 30 FGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000815651970 727089038 /nfs/dbraw/zinc/08/90/38/727089038.db2.gz KQLQNXGHGTWEHY-MSOLQXFVSA-N 2 2 365.315 3.214 20 30 FGEDLP C[C@]1(C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC[NH2+]C1 ZINC000904427904 743954567 /nfs/dbraw/zinc/95/45/67/743954567.db2.gz AEFZLIQAUJPGHG-BBBLOLIVSA-N 2 2 366.296 3.089 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924983059 759427264 /nfs/dbraw/zinc/42/72/64/759427264.db2.gz ARKSGLDUVGLNFC-QGZVFWFLSA-N 2 2 350.304 3.462 20 30 FGEDLP N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000265468091 257372063 /nfs/dbraw/zinc/37/20/63/257372063.db2.gz HOFCXDNNUZCURR-UHFFFAOYSA-N 2 2 357.845 3.143 20 30 FGEDLP COc1c(C)c[nH+]c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000067226460 494496755 /nfs/dbraw/zinc/49/67/55/494496755.db2.gz DTVXGUCFYQULOO-UHFFFAOYSA-N 2 2 364.493 3.287 20 30 FGEDLP COc1c(C)c[nH+]c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000067226460 494496760 /nfs/dbraw/zinc/49/67/60/494496760.db2.gz DTVXGUCFYQULOO-UHFFFAOYSA-N 2 2 364.493 3.287 20 30 FGEDLP C#CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000116384204 494771621 /nfs/dbraw/zinc/77/16/21/494771621.db2.gz INFIAYZFRHQGIV-XXBNENTESA-N 2 2 363.505 3.484 20 30 FGEDLP C#CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000116384204 494771628 /nfs/dbraw/zinc/77/16/28/494771628.db2.gz INFIAYZFRHQGIV-XXBNENTESA-N 2 2 363.505 3.484 20 30 FGEDLP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)CCO1 ZINC000092079203 494782912 /nfs/dbraw/zinc/78/29/12/494782912.db2.gz PRYSSEZZDREPTM-GOSISDBHSA-N 2 2 357.498 3.054 20 30 FGEDLP C[C@@H]1C[N@H+](C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)CCO1 ZINC000092079203 494782920 /nfs/dbraw/zinc/78/29/20/494782920.db2.gz PRYSSEZZDREPTM-GOSISDBHSA-N 2 2 357.498 3.054 20 30 FGEDLP C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1OC ZINC000093042608 494814435 /nfs/dbraw/zinc/81/44/35/494814435.db2.gz HZXNVGASGQPDNC-FQEVSTJZSA-N 2 2 374.525 3.194 20 30 FGEDLP C=C(C)COc1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)ccc1OC ZINC000093042608 494814439 /nfs/dbraw/zinc/81/44/39/494814439.db2.gz HZXNVGASGQPDNC-FQEVSTJZSA-N 2 2 374.525 3.194 20 30 FGEDLP C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000112631553 495215024 /nfs/dbraw/zinc/21/50/24/495215024.db2.gz ZYDSUNLSSUNUND-UHFFFAOYSA-N 2 2 352.438 3.181 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000130304022 495370709 /nfs/dbraw/zinc/37/07/09/495370709.db2.gz YSVWZWJWZQTYDG-LJQANCHMSA-N 2 2 370.541 3.401 20 30 FGEDLP CC(C)[NH+]1CCN(c2cccc(NCc3c[nH+]c4ccc(C#N)cn34)c2)CC1 ZINC000125723140 495488159 /nfs/dbraw/zinc/48/81/59/495488159.db2.gz JAYIUJUDSOHFKN-UHFFFAOYSA-N 2 2 374.492 3.348 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173604344 495609292 /nfs/dbraw/zinc/60/92/92/495609292.db2.gz WZXYDFLIKVIVRR-VQTJNVASSA-N 2 2 368.525 3.130 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173604344 495609299 /nfs/dbraw/zinc/60/92/99/495609299.db2.gz WZXYDFLIKVIVRR-VQTJNVASSA-N 2 2 368.525 3.130 20 30 FGEDLP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000182733712 495681388 /nfs/dbraw/zinc/68/13/88/495681388.db2.gz NMCCWHKPVRKSMZ-UHFFFAOYSA-N 2 2 362.543 3.392 20 30 FGEDLP N#CCCn1cc(C[NH2+]CCCNc2cccc[nH+]2)c(-c2ccccc2)n1 ZINC000177591079 496123723 /nfs/dbraw/zinc/12/37/23/496123723.db2.gz NPKDTSQBJICQIZ-UHFFFAOYSA-N 2 2 360.465 3.451 20 30 FGEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000181391708 496376108 /nfs/dbraw/zinc/37/61/08/496376108.db2.gz VKBFYUQZVSFEOJ-UHFFFAOYSA-N 2 2 365.477 3.330 20 30 FGEDLP CC1(C)CC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC(C)(C)[NH2+]1 ZINC000181414181 496385563 /nfs/dbraw/zinc/38/55/63/496385563.db2.gz FYFJAGOYZLAPFS-UHFFFAOYSA-N 3 2 354.542 3.421 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000247151483 496792854 /nfs/dbraw/zinc/79/28/54/496792854.db2.gz XPOSXOKMQTVLGB-PMACEKPBSA-N 2 2 370.541 3.212 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000247151483 496792859 /nfs/dbraw/zinc/79/28/59/496792859.db2.gz XPOSXOKMQTVLGB-PMACEKPBSA-N 2 2 370.541 3.212 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000247151483 496792863 /nfs/dbraw/zinc/79/28/63/496792863.db2.gz XPOSXOKMQTVLGB-PMACEKPBSA-N 2 2 370.541 3.212 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000247151483 496792867 /nfs/dbraw/zinc/79/28/67/496792867.db2.gz XPOSXOKMQTVLGB-PMACEKPBSA-N 2 2 370.541 3.212 20 30 FGEDLP C=CC[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000188851180 496927829 /nfs/dbraw/zinc/92/78/29/496927829.db2.gz OCMMQLCUUZCFNJ-PJEZACDQSA-N 2 2 367.537 3.116 20 30 FGEDLP C=CC[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000188851180 496927834 /nfs/dbraw/zinc/92/78/34/496927834.db2.gz OCMMQLCUUZCFNJ-PJEZACDQSA-N 2 2 367.537 3.116 20 30 FGEDLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(C#N)cc3F)[nH+]c2)CC1 ZINC000269385832 496936031 /nfs/dbraw/zinc/93/60/31/496936031.db2.gz AWHGDDOBYRQCEY-UHFFFAOYSA-N 2 2 353.445 3.235 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)CC1 ZINC000237115213 497193686 /nfs/dbraw/zinc/19/36/86/497193686.db2.gz NKKZJUDIKLHYSO-UHFFFAOYSA-N 2 2 358.404 3.376 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1OC ZINC000237242376 497209340 /nfs/dbraw/zinc/20/93/40/497209340.db2.gz ULZSFIVAVFVJNO-AWEZNQCLSA-N 2 2 369.303 3.206 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1OC ZINC000237242376 497209343 /nfs/dbraw/zinc/20/93/43/497209343.db2.gz ULZSFIVAVFVJNO-AWEZNQCLSA-N 2 2 369.303 3.206 20 30 FGEDLP N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000245516269 497437670 /nfs/dbraw/zinc/43/76/70/497437670.db2.gz FQMZCLVPFORKRG-CTNGQTDRSA-N 2 2 366.509 3.004 20 30 FGEDLP N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)C2=O)cc1 ZINC000245516269 497437671 /nfs/dbraw/zinc/43/76/71/497437671.db2.gz FQMZCLVPFORKRG-CTNGQTDRSA-N 2 2 366.509 3.004 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245569794 497461027 /nfs/dbraw/zinc/46/10/27/497461027.db2.gz GJFOXJWEVBPMCC-ZIFCJYIRSA-N 2 2 372.538 3.431 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245569794 497461031 /nfs/dbraw/zinc/46/10/31/497461031.db2.gz GJFOXJWEVBPMCC-ZIFCJYIRSA-N 2 2 372.538 3.431 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245732160 497520963 /nfs/dbraw/zinc/52/09/63/497520963.db2.gz WDMSPOXRNJLUGX-GGPKGHCWSA-N 2 2 365.481 3.101 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245732160 497520967 /nfs/dbraw/zinc/52/09/67/497520967.db2.gz WDMSPOXRNJLUGX-GGPKGHCWSA-N 2 2 365.481 3.101 20 30 FGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000330278771 498090851 /nfs/dbraw/zinc/09/08/51/498090851.db2.gz QBYJQFFXRVABFD-FBVQUNGASA-N 2 2 359.518 3.359 20 30 FGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000330278771 498090856 /nfs/dbraw/zinc/09/08/56/498090856.db2.gz QBYJQFFXRVABFD-FBVQUNGASA-N 2 2 359.518 3.359 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCCC[NH+]3CCCC3)CC2)cc1 ZINC000292972928 498217672 /nfs/dbraw/zinc/21/76/72/498217672.db2.gz KMLAGBODMXWNKV-UHFFFAOYSA-N 3 2 354.542 3.378 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000363568126 498882547 /nfs/dbraw/zinc/88/25/47/498882547.db2.gz OILMLRKKUQTORM-HNNXBMFYSA-N 2 2 357.483 3.043 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000363568126 498882551 /nfs/dbraw/zinc/88/25/51/498882551.db2.gz OILMLRKKUQTORM-HNNXBMFYSA-N 2 2 357.483 3.043 20 30 FGEDLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@H]1n1cc[nH+]c1 ZINC000329164355 499060430 /nfs/dbraw/zinc/06/04/30/499060430.db2.gz GUJWIZXAYKODIT-DOTOQJQBSA-N 2 2 370.453 3.216 20 30 FGEDLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@H]1n1cc[nH+]c1 ZINC000329164355 499060433 /nfs/dbraw/zinc/06/04/33/499060433.db2.gz GUJWIZXAYKODIT-DOTOQJQBSA-N 2 2 370.453 3.216 20 30 FGEDLP C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329282656 499090892 /nfs/dbraw/zinc/09/08/92/499090892.db2.gz FMGBIFDDOCXBTG-BBWFWOEESA-N 2 2 359.518 3.156 20 30 FGEDLP C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329282656 499090897 /nfs/dbraw/zinc/09/08/97/499090897.db2.gz FMGBIFDDOCXBTG-BBWFWOEESA-N 2 2 359.518 3.156 20 30 FGEDLP Cc1ccc2[nH+]c(CNC(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)cn2c1 ZINC000329342035 499103402 /nfs/dbraw/zinc/10/34/02/499103402.db2.gz ZVLKNCYEAXBKDW-GOSISDBHSA-N 2 2 355.486 3.007 20 30 FGEDLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1OCCCC#N ZINC000369683710 499436186 /nfs/dbraw/zinc/43/61/86/499436186.db2.gz OEWSTVFDRIALAH-GOSISDBHSA-N 2 2 368.481 3.491 20 30 FGEDLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1OCCCC#N ZINC000369683710 499436188 /nfs/dbraw/zinc/43/61/88/499436188.db2.gz OEWSTVFDRIALAH-GOSISDBHSA-N 2 2 368.481 3.491 20 30 FGEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000375789950 499556061 /nfs/dbraw/zinc/55/60/61/499556061.db2.gz ILLJATCILJQBBR-OAHLLOKOSA-N 2 2 357.483 3.215 20 30 FGEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000375789950 499556062 /nfs/dbraw/zinc/55/60/62/499556062.db2.gz ILLJATCILJQBBR-OAHLLOKOSA-N 2 2 357.483 3.215 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]([NH3+])CC)cc1OCC ZINC000414974699 499850435 /nfs/dbraw/zinc/85/04/35/499850435.db2.gz FBEOCAPCBDRPAI-ZDUSSCGKSA-N 2 2 357.292 3.240 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000429538199 500096252 /nfs/dbraw/zinc/09/62/52/500096252.db2.gz GVLLOYNXXWBLRL-UXHICEINSA-N 2 2 370.541 3.355 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000429538199 500096254 /nfs/dbraw/zinc/09/62/54/500096254.db2.gz GVLLOYNXXWBLRL-UXHICEINSA-N 2 2 370.541 3.355 20 30 FGEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3cc(C#N)c4ccccc4n3)CC2)CC1 ZINC000433528040 500709154 /nfs/dbraw/zinc/70/91/54/500709154.db2.gz KNCKYERWISQZPK-UHFFFAOYSA-N 2 2 363.509 3.101 20 30 FGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000602648153 506244088 /nfs/dbraw/zinc/24/40/88/506244088.db2.gz MBVFPJUTYMOHRB-OOHWJJMZSA-N 2 2 373.463 3.480 20 30 FGEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000471153836 501936707 /nfs/dbraw/zinc/93/67/07/501936707.db2.gz ZPMAQULMXAPCKR-UHFFFAOYSA-N 2 2 357.461 3.281 20 30 FGEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1C(F)(F)F ZINC000563791641 505239352 /nfs/dbraw/zinc/23/93/52/505239352.db2.gz ZHGCUWYIVOXEMW-NJAFHUGGSA-N 2 2 367.415 3.261 20 30 FGEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1C(F)(F)F ZINC000563791641 505239355 /nfs/dbraw/zinc/23/93/55/505239355.db2.gz ZHGCUWYIVOXEMW-NJAFHUGGSA-N 2 2 367.415 3.261 20 30 FGEDLP C[C@H](O)[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1F ZINC000567507675 505483749 /nfs/dbraw/zinc/48/37/49/505483749.db2.gz LHGCXAHAYIOZOO-AOMKIAJQSA-N 2 2 367.468 3.373 20 30 FGEDLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1 ZINC000583258159 506681274 /nfs/dbraw/zinc/68/12/74/506681274.db2.gz KQQLWPQGWVHKQA-FXAWDEMLSA-N 2 2 367.493 3.017 20 30 FGEDLP Cc1cccn2c(C[NH2+]C3CC[NH+](Cc4cccc(C#N)c4)CC3)cnc12 ZINC000593692305 506734321 /nfs/dbraw/zinc/73/43/21/506734321.db2.gz AOTIEYBHXNAFKL-UHFFFAOYSA-N 2 2 359.477 3.269 20 30 FGEDLP Cc1ccc2nc(C[NH2+]C3CC[NH+](Cc4cccc(C#N)c4)CC3)cn2c1 ZINC000593693029 506734638 /nfs/dbraw/zinc/73/46/38/506734638.db2.gz MFESJWACKKBPRZ-UHFFFAOYSA-N 2 2 359.477 3.269 20 30 FGEDLP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]1C ZINC000593692676 506734960 /nfs/dbraw/zinc/73/49/60/506734960.db2.gz ICJLLWOGNUMVIS-LKUPVBHCSA-N 2 2 369.509 3.090 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](C3CCC3)[C@@H]3CCCO3)CC2)cc1 ZINC000601156641 507280912 /nfs/dbraw/zinc/28/09/12/507280912.db2.gz UQSAXTJJTMXBCE-FCHUYYIVSA-N 2 2 353.510 3.460 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CCO)c3ccccc3F)CC2)cc1 ZINC000592376375 507625011 /nfs/dbraw/zinc/62/50/11/507625011.db2.gz HZGMQKLVHVZTQF-JOCHJYFZSA-N 2 2 367.468 3.375 20 30 FGEDLP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@@H+]1CCc2sccc2C1 ZINC000262011200 713717082 /nfs/dbraw/zinc/71/70/82/713717082.db2.gz UGBISASRWDSCPP-AWEZNQCLSA-N 2 2 354.523 3.410 20 30 FGEDLP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@H+]1CCc2sccc2C1 ZINC000262011200 713717083 /nfs/dbraw/zinc/71/70/83/713717083.db2.gz UGBISASRWDSCPP-AWEZNQCLSA-N 2 2 354.523 3.410 20 30 FGEDLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1[nH+]ccc3[nH]cc(C#N)c31)[C@@H]2C ZINC001164857185 720989640 /nfs/dbraw/zinc/98/96/40/720989640.db2.gz CUFDKPKHXARVHG-CQSZACIVSA-N 2 2 363.469 3.052 20 30 FGEDLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1[nH+]ccc3[nH]cc(C#N)c31)[C@@H]2C ZINC001164857185 720989652 /nfs/dbraw/zinc/98/96/52/720989652.db2.gz CUFDKPKHXARVHG-CQSZACIVSA-N 2 2 363.469 3.052 20 30 FGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOc2ccc(F)cc2Cl)cc1 ZINC000769565328 723689960 /nfs/dbraw/zinc/68/99/60/723689960.db2.gz LNHBESMEPJIABS-UHFFFAOYSA-N 2 2 365.836 3.257 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CCO)c3cccs3)CC2)cc1 ZINC000776162979 724115429 /nfs/dbraw/zinc/11/54/29/724115429.db2.gz LGNOMPIUMDDVRR-IBGZPJMESA-N 2 2 355.507 3.297 20 30 FGEDLP Cc1cccn2cc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)[nH+]c12 ZINC000055172056 494309669 /nfs/dbraw/zinc/30/96/69/494309669.db2.gz DYXGTENQBTVBLW-UHFFFAOYSA-N 2 2 359.477 3.222 20 30 FGEDLP Cc1cccn2cc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)[nH+]c12 ZINC000055172056 494309671 /nfs/dbraw/zinc/30/96/71/494309671.db2.gz DYXGTENQBTVBLW-UHFFFAOYSA-N 2 2 359.477 3.222 20 30 FGEDLP CC[N@@H+](Cc1cnc2ccc(C#N)cn12)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564653 494901505 /nfs/dbraw/zinc/90/15/05/494901505.db2.gz UPKAIWQORPTGDX-UHFFFAOYSA-N 2 2 374.492 3.339 20 30 FGEDLP CC[N@H+](Cc1cnc2ccc(C#N)cn12)CC1CCN(c2cccc[nH+]2)CC1 ZINC000093564653 494901508 /nfs/dbraw/zinc/90/15/08/494901508.db2.gz UPKAIWQORPTGDX-UHFFFAOYSA-N 2 2 374.492 3.339 20 30 FGEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122048183 494915507 /nfs/dbraw/zinc/91/55/07/494915507.db2.gz GCBXIIBQGZFXAG-OAQYLSRUSA-N 2 2 369.509 3.360 20 30 FGEDLP COc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1OCCCC#N ZINC000127764838 494993864 /nfs/dbraw/zinc/99/38/64/494993864.db2.gz LQHVYWVFDASLSQ-UHFFFAOYSA-N 2 2 357.498 3.438 20 30 FGEDLP Cc1cccc(C[NH+]2CCC([NH2+]Cc3cnc4ccc(C#N)cn34)CC2)c1 ZINC000123324064 495115007 /nfs/dbraw/zinc/11/50/07/495115007.db2.gz QUCOFKREHALELZ-UHFFFAOYSA-N 2 2 359.477 3.269 20 30 FGEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[N@@H+]1C ZINC000177056923 495904825 /nfs/dbraw/zinc/90/48/25/495904825.db2.gz FCGUGUVLXTWFBV-DOTOQJQBSA-N 2 2 362.905 3.001 20 30 FGEDLP C[C@H]1C[C@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[N@H+]1C ZINC000177056923 495904828 /nfs/dbraw/zinc/90/48/28/495904828.db2.gz FCGUGUVLXTWFBV-DOTOQJQBSA-N 2 2 362.905 3.001 20 30 FGEDLP C[C@H]1C[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[NH+]1C ZINC000177056923 495904829 /nfs/dbraw/zinc/90/48/29/495904829.db2.gz FCGUGUVLXTWFBV-DOTOQJQBSA-N 2 2 362.905 3.001 20 30 FGEDLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[NH+]1C ZINC000177056923 495904832 /nfs/dbraw/zinc/90/48/32/495904832.db2.gz FCGUGUVLXTWFBV-DOTOQJQBSA-N 2 2 362.905 3.001 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000171563144 495929555 /nfs/dbraw/zinc/92/95/55/495929555.db2.gz WKDHFNXQMMYTPI-QGZVFWFLSA-N 2 2 350.466 3.127 20 30 FGEDLP C=CC1CC[NH+](CC(=O)Nc2nc(C[NH+]3CCC(C)CC3)cs2)CC1 ZINC000171953327 496108179 /nfs/dbraw/zinc/10/81/79/496108179.db2.gz AVSSUVSGODCVBH-UHFFFAOYSA-N 2 2 362.543 3.212 20 30 FGEDLP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000156413848 496238693 /nfs/dbraw/zinc/23/86/93/496238693.db2.gz TYIQZRMOAKFUPZ-RDJZCZTQSA-N 2 2 369.494 3.020 20 30 FGEDLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000156413848 496238699 /nfs/dbraw/zinc/23/86/99/496238699.db2.gz TYIQZRMOAKFUPZ-RDJZCZTQSA-N 2 2 369.494 3.020 20 30 FGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000157171437 496421445 /nfs/dbraw/zinc/42/14/45/496421445.db2.gz XESXODBTZDBJFK-AEFFLSMTSA-N 2 2 352.400 3.353 20 30 FGEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000157171437 496421449 /nfs/dbraw/zinc/42/14/49/496421449.db2.gz XESXODBTZDBJFK-AEFFLSMTSA-N 2 2 352.400 3.353 20 30 FGEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000157171437 496421452 /nfs/dbraw/zinc/42/14/52/496421452.db2.gz XESXODBTZDBJFK-AEFFLSMTSA-N 2 2 352.400 3.353 20 30 FGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000157171437 496421457 /nfs/dbraw/zinc/42/14/57/496421457.db2.gz XESXODBTZDBJFK-AEFFLSMTSA-N 2 2 352.400 3.353 20 30 FGEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C[NH+]1CCCCC1 ZINC000181539346 496437596 /nfs/dbraw/zinc/43/75/96/496437596.db2.gz ORGDPIWDZURSHH-LJQANCHMSA-N 3 2 354.542 3.234 20 30 FGEDLP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181818842 496558006 /nfs/dbraw/zinc/55/80/06/496558006.db2.gz HDUUDNHDZOCUCY-INIZCTEOSA-N 2 2 365.525 3.094 20 30 FGEDLP C[C@@H](CCc1cccn1C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181824311 496560330 /nfs/dbraw/zinc/56/03/30/496560330.db2.gz OYWAXQDINRTBBT-SFHVURJKSA-N 2 2 350.510 3.472 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000181920792 496600238 /nfs/dbraw/zinc/60/02/38/496600238.db2.gz BQHFQEYEHMUGED-UHFFFAOYSA-N 2 2 350.422 3.221 20 30 FGEDLP C[C@@H]1C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC[N@@H+]1Cc1ccccc1 ZINC000175977727 496627791 /nfs/dbraw/zinc/62/77/91/496627791.db2.gz GQAZGKSXHYDPJD-YLJYHZDGSA-N 2 2 359.477 3.349 20 30 FGEDLP C[C@@H]1C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC[N@H+]1Cc1ccccc1 ZINC000175977727 496627796 /nfs/dbraw/zinc/62/77/96/496627796.db2.gz GQAZGKSXHYDPJD-YLJYHZDGSA-N 2 2 359.477 3.349 20 30 FGEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000247243312 496814537 /nfs/dbraw/zinc/81/45/37/496814537.db2.gz DODIPSBPFOOYKJ-MSOLQXFVSA-N 2 2 374.504 3.125 20 30 FGEDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000247243312 496814540 /nfs/dbraw/zinc/81/45/40/496814540.db2.gz DODIPSBPFOOYKJ-MSOLQXFVSA-N 2 2 374.504 3.125 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000268913457 496822375 /nfs/dbraw/zinc/82/23/75/496822375.db2.gz UNAJTMHOHYKYRE-CQSZACIVSA-N 2 2 372.481 3.374 20 30 FGEDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)ccc2Br)C1 ZINC000191803792 496894849 /nfs/dbraw/zinc/89/48/49/496894849.db2.gz NZDIUYJVKMFXKF-OAHLLOKOSA-N 2 2 350.304 3.484 20 30 FGEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)ccc2Br)C1 ZINC000191803792 496894852 /nfs/dbraw/zinc/89/48/52/496894852.db2.gz NZDIUYJVKMFXKF-OAHLLOKOSA-N 2 2 350.304 3.484 20 30 FGEDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191803792 496894860 /nfs/dbraw/zinc/89/48/60/496894860.db2.gz NZDIUYJVKMFXKF-OAHLLOKOSA-N 2 2 350.304 3.484 20 30 FGEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191803792 496894862 /nfs/dbraw/zinc/89/48/62/496894862.db2.gz NZDIUYJVKMFXKF-OAHLLOKOSA-N 2 2 350.304 3.484 20 30 FGEDLP C=CCCCCCN(C)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000269219243 496897241 /nfs/dbraw/zinc/89/72/41/496897241.db2.gz MIVGQRAADJNLNA-FQEVSTJZSA-N 2 2 354.498 3.006 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)C(C)C ZINC000252664102 497316548 /nfs/dbraw/zinc/31/65/48/497316548.db2.gz UVHYVERUBIYFMU-VAMGGRTRSA-N 2 2 373.545 3.174 20 30 FGEDLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(OCC#N)cc1 ZINC000272272687 497583739 /nfs/dbraw/zinc/58/37/39/497583739.db2.gz NOGFCVZHVYJJGL-VQIMIIECSA-N 2 2 365.481 3.297 20 30 FGEDLP C[C@@H]([NH2+]CC(=O)Nc1nc2c(s1)CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329673357 497864880 /nfs/dbraw/zinc/86/48/80/497864880.db2.gz NZXDUALLJFPTQY-KGLIPLIRSA-N 2 2 362.543 3.462 20 30 FGEDLP C[C@@H]([NH2+]CC(=O)Nc1nc2c(s1)CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329673357 497864885 /nfs/dbraw/zinc/86/48/85/497864885.db2.gz NZXDUALLJFPTQY-KGLIPLIRSA-N 2 2 362.543 3.462 20 30 FGEDLP CCc1[nH+]ccn1[C@H]1CCCN(C([O-])=[NH+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000329805995 497908082 /nfs/dbraw/zinc/90/80/82/497908082.db2.gz NOTBIMTVOPRXDB-FBVQUNGASA-N 2 2 359.518 3.012 20 30 FGEDLP CCc1[nH+]ccn1[C@H]1CCCN(C([O-])=[NH+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000329805995 497908084 /nfs/dbraw/zinc/90/80/84/497908084.db2.gz NOTBIMTVOPRXDB-FBVQUNGASA-N 2 2 359.518 3.012 20 30 FGEDLP O=C(NCc1cn2c([nH+]1)CCCC2)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329997375 497984770 /nfs/dbraw/zinc/98/47/70/497984770.db2.gz QLSVOCXMOQIMQQ-UHFFFAOYSA-N 2 2 359.518 3.020 20 30 FGEDLP COc1cc(C[NH+]2CCC(C#N)CC2)cc(C[NH+]2CCC(C#N)CC2)c1 ZINC000292593138 498072369 /nfs/dbraw/zinc/07/23/69/498072369.db2.gz KNJPGQHNTQYPGH-UHFFFAOYSA-N 2 2 352.482 3.166 20 30 FGEDLP Cc1cc(C)cc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000282373334 498484440 /nfs/dbraw/zinc/48/44/40/498484440.db2.gz INGGCBHJNSQBJA-HSZRJFAPSA-N 2 2 363.505 3.463 20 30 FGEDLP C[C@@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)c[nH+]2)C[C@H](C)O1 ZINC000329236980 499080337 /nfs/dbraw/zinc/08/03/37/499080337.db2.gz JXSXEDBCTCWLOS-SCTDSRPQSA-N 2 2 374.529 3.416 20 30 FGEDLP C[C@@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CCCC[N@H+]3C)c[nH+]2)C[C@H](C)O1 ZINC000329236980 499080342 /nfs/dbraw/zinc/08/03/42/499080342.db2.gz JXSXEDBCTCWLOS-SCTDSRPQSA-N 2 2 374.529 3.416 20 30 FGEDLP C[N@H+](CCCC1(C#N)CCOCC1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000369705772 499437950 /nfs/dbraw/zinc/43/79/50/499437950.db2.gz FCBJVJFJMHZKRC-UHFFFAOYSA-N 2 2 356.514 3.078 20 30 FGEDLP C[N@@H+](CCCC1(C#N)CCOCC1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000369705772 499437951 /nfs/dbraw/zinc/43/79/51/499437951.db2.gz FCBJVJFJMHZKRC-UHFFFAOYSA-N 2 2 356.514 3.078 20 30 FGEDLP CN(C(=O)c1cscc1C#N)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000570417206 506163777 /nfs/dbraw/zinc/16/37/77/506163777.db2.gz UBUJVSCLPAEDLY-RBUKOAKNSA-N 2 2 374.554 3.029 20 30 FGEDLP CN(C(=O)c1cscc1C#N)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000570417206 506163781 /nfs/dbraw/zinc/16/37/81/506163781.db2.gz UBUJVSCLPAEDLY-RBUKOAKNSA-N 2 2 374.554 3.029 20 30 FGEDLP C[N@@H+]1CCC[C@]2(CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000573342405 506175569 /nfs/dbraw/zinc/17/55/69/506175569.db2.gz LLVIAIAQEJOPDE-SFHVURJKSA-N 2 2 352.400 3.354 20 30 FGEDLP C[N@H+]1CCC[C@]2(CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000573342405 506175573 /nfs/dbraw/zinc/17/55/73/506175573.db2.gz LLVIAIAQEJOPDE-SFHVURJKSA-N 2 2 352.400 3.354 20 30 FGEDLP C[NH+]1CCC[C@]2(CC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000573342405 506175575 /nfs/dbraw/zinc/17/55/75/506175575.db2.gz LLVIAIAQEJOPDE-SFHVURJKSA-N 2 2 352.400 3.354 20 30 FGEDLP C[NH+]1CCC[C@]2(CC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000573342405 506175580 /nfs/dbraw/zinc/17/55/80/506175580.db2.gz LLVIAIAQEJOPDE-SFHVURJKSA-N 2 2 352.400 3.354 20 30 FGEDLP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437137209 500606091 /nfs/dbraw/zinc/60/60/91/500606091.db2.gz NOVWVJKOXNTKOT-UHFFFAOYSA-N 2 2 360.408 3.348 20 30 FGEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Br)c1 ZINC000448525886 500767641 /nfs/dbraw/zinc/76/76/41/500767641.db2.gz VQQSHEPVXGVDMT-MRXNPFEDSA-N 2 2 358.239 3.369 20 30 FGEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Br)c1 ZINC000448525886 500767644 /nfs/dbraw/zinc/76/76/44/500767644.db2.gz VQQSHEPVXGVDMT-MRXNPFEDSA-N 2 2 358.239 3.369 20 30 FGEDLP CC(C)[C@@H](CO)[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000449515545 501022800 /nfs/dbraw/zinc/02/28/00/501022800.db2.gz ZYZMBOHMABQSNP-YADHBBJMSA-N 2 2 357.542 3.401 20 30 FGEDLP COc1cc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)ccc1C#N ZINC000449785470 501087049 /nfs/dbraw/zinc/08/70/49/501087049.db2.gz GUJNTRFTLDRNLB-UHFFFAOYSA-N 2 2 355.404 3.415 20 30 FGEDLP COc1cc(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)ccc1C#N ZINC000449785470 501087050 /nfs/dbraw/zinc/08/70/50/501087050.db2.gz GUJNTRFTLDRNLB-UHFFFAOYSA-N 2 2 355.404 3.415 20 30 FGEDLP C=CC(C)(C)CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000458988006 501571920 /nfs/dbraw/zinc/57/19/20/501571920.db2.gz NNKNGZUCPXNOSQ-OALUTQOASA-N 2 2 364.578 3.177 20 30 FGEDLP C=CC(C)(C)CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000458988006 501571922 /nfs/dbraw/zinc/57/19/22/501571922.db2.gz NNKNGZUCPXNOSQ-OALUTQOASA-N 2 2 364.578 3.177 20 30 FGEDLP Cc1cc[nH+]cc1N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000467542246 501819839 /nfs/dbraw/zinc/81/98/39/501819839.db2.gz JBDHKHSWSYOTKZ-UHFFFAOYSA-N 2 2 350.466 3.395 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000464777748 502091056 /nfs/dbraw/zinc/09/10/56/502091056.db2.gz PBZYMGVOAQZVTN-ZWKOTPCHSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000464777748 502091060 /nfs/dbraw/zinc/09/10/60/502091060.db2.gz PBZYMGVOAQZVTN-ZWKOTPCHSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000469994046 502623184 /nfs/dbraw/zinc/62/31/84/502623184.db2.gz WTLIHCLYIFUBDE-WFASDCNBSA-N 2 2 369.303 3.192 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OC ZINC000469994046 502623188 /nfs/dbraw/zinc/62/31/88/502623188.db2.gz WTLIHCLYIFUBDE-WFASDCNBSA-N 2 2 369.303 3.192 20 30 FGEDLP CN1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)Cc2ccccc21 ZINC000463289886 502746637 /nfs/dbraw/zinc/74/66/37/502746637.db2.gz QOMJOQJGLHUHEN-OAQYLSRUSA-N 2 2 374.532 3.421 20 30 FGEDLP C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000533295898 503794925 /nfs/dbraw/zinc/79/49/25/503794925.db2.gz NDKHOHANLKFGBS-DLBZAZTESA-N 2 2 374.554 3.150 20 30 FGEDLP C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000533295898 503794927 /nfs/dbraw/zinc/79/49/27/503794927.db2.gz NDKHOHANLKFGBS-DLBZAZTESA-N 2 2 374.554 3.150 20 30 FGEDLP C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000533295898 503794933 /nfs/dbraw/zinc/79/49/33/503794933.db2.gz NDKHOHANLKFGBS-DLBZAZTESA-N 2 2 374.554 3.150 20 30 FGEDLP C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000533295898 503794937 /nfs/dbraw/zinc/79/49/37/503794937.db2.gz NDKHOHANLKFGBS-DLBZAZTESA-N 2 2 374.554 3.150 20 30 FGEDLP COC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540595494 503827774 /nfs/dbraw/zinc/82/77/74/503827774.db2.gz WVLBAGGJMFCXMA-HSZRJFAPSA-N 2 2 363.505 3.370 20 30 FGEDLP Cc1cc([C@H]2CCC[NH+]2CC#CC[N@H+]2CCC[C@@H]2c2cc(C)no2)on1 ZINC000560157528 505006304 /nfs/dbraw/zinc/00/63/04/505006304.db2.gz XLKGESBXTLCUGL-QZTJIDSGSA-N 2 2 354.454 3.257 20 30 FGEDLP Cc1cc([C@H]2CCC[NH+]2CC#CC[N@@H+]2CCC[C@@H]2c2cc(C)no2)on1 ZINC000560157528 505006308 /nfs/dbraw/zinc/00/63/08/505006308.db2.gz XLKGESBXTLCUGL-QZTJIDSGSA-N 2 2 354.454 3.257 20 30 FGEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2C#N)[C@H](C)C1 ZINC000553889698 505034015 /nfs/dbraw/zinc/03/40/15/505034015.db2.gz VQIHLFKSVYEQDY-DYVFJYSZSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2C#N)[C@H](C)C1 ZINC000553889698 505034019 /nfs/dbraw/zinc/03/40/19/505034019.db2.gz VQIHLFKSVYEQDY-DYVFJYSZSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2C#N)[C@H](C)C1 ZINC000553889698 505034022 /nfs/dbraw/zinc/03/40/22/505034022.db2.gz VQIHLFKSVYEQDY-DYVFJYSZSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2C#N)[C@H](C)C1 ZINC000553889698 505034026 /nfs/dbraw/zinc/03/40/26/505034026.db2.gz VQIHLFKSVYEQDY-DYVFJYSZSA-N 2 2 350.304 3.483 20 30 FGEDLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552238872 505436966 /nfs/dbraw/zinc/43/69/66/505436966.db2.gz LZOIPBSRJLIJLG-QFIPXVFZSA-N 2 2 362.521 3.290 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1CCC(CCC#N)CC1 ZINC000567895880 505570446 /nfs/dbraw/zinc/57/04/46/505570446.db2.gz BEQGACYGRBVBTA-OAHLLOKOSA-N 2 2 351.454 3.419 20 30 FGEDLP N#Cc1ccc2ncc(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)n2c1 ZINC000589189087 506475921 /nfs/dbraw/zinc/47/59/21/506475921.db2.gz ZNRXMNJAZUDRLO-HSZRJFAPSA-N 2 2 371.488 3.304 20 30 FGEDLP N#Cc1ccc2ncc(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)n2c1 ZINC000589189087 506475928 /nfs/dbraw/zinc/47/59/28/506475928.db2.gz ZNRXMNJAZUDRLO-HSZRJFAPSA-N 2 2 371.488 3.304 20 30 FGEDLP N#Cc1ccc2ncc(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)n2c1 ZINC000589189087 506475937 /nfs/dbraw/zinc/47/59/37/506475937.db2.gz ZNRXMNJAZUDRLO-HSZRJFAPSA-N 2 2 371.488 3.304 20 30 FGEDLP N#Cc1ccc2ncc(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)n2c1 ZINC000589189087 506475944 /nfs/dbraw/zinc/47/59/44/506475944.db2.gz ZNRXMNJAZUDRLO-HSZRJFAPSA-N 2 2 371.488 3.304 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC(Nc3cc(N4CCCC4)[nH+]cn3)CC2)c1 ZINC000593514464 506663120 /nfs/dbraw/zinc/66/31/20/506663120.db2.gz BKJGTEGJRLPIDJ-UHFFFAOYSA-N 2 2 362.481 3.025 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC(Nc3cc(N4CCCC4)nc[nH+]3)CC2)c1 ZINC000593514464 506663127 /nfs/dbraw/zinc/66/31/27/506663127.db2.gz BKJGTEGJRLPIDJ-UHFFFAOYSA-N 2 2 362.481 3.025 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cn4cccc(F)c4n3)CC2)c1 ZINC000593693447 506733988 /nfs/dbraw/zinc/73/39/88/506733988.db2.gz ZVUVMLHSAJRTFW-UHFFFAOYSA-N 2 2 363.440 3.099 20 30 FGEDLP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C12CCC2 ZINC000593703395 506741517 /nfs/dbraw/zinc/74/15/17/506741517.db2.gz SSLKVFICPUOJMV-RTWAWAEBSA-N 2 2 353.510 3.460 20 30 FGEDLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C12CCC2 ZINC000593703393 506741544 /nfs/dbraw/zinc/74/15/44/506741544.db2.gz SSLKVFICPUOJMV-LEWJYISDSA-N 2 2 353.510 3.460 20 30 FGEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3nc(C(C)(C)C)ccc3C#N)CC2)CC1 ZINC000613427747 507082161 /nfs/dbraw/zinc/08/21/61/507082161.db2.gz NFMNJCXLOYDTLK-UHFFFAOYSA-N 2 2 369.557 3.246 20 30 FGEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000610583354 507305042 /nfs/dbraw/zinc/30/50/42/507305042.db2.gz UKOLGXIMUVNDLX-GFCCVEGCSA-N 2 2 369.494 3.038 20 30 FGEDLP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000595044560 507366359 /nfs/dbraw/zinc/36/63/59/507366359.db2.gz BUHXPXHSAQKTPT-QGZVFWFLSA-N 2 2 371.525 3.480 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676476976 721806783 /nfs/dbraw/zinc/80/67/83/721806783.db2.gz DFCXZUBSZRSRAE-DLBZAZTESA-N 2 2 358.511 3.185 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676476976 721806786 /nfs/dbraw/zinc/80/67/86/721806786.db2.gz DFCXZUBSZRSRAE-DLBZAZTESA-N 2 2 358.511 3.185 20 30 FGEDLP Cc1[nH+]c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)ccc1CC#N ZINC001164955422 722022519 /nfs/dbraw/zinc/02/25/19/722022519.db2.gz GEOUCTWYKVHEHM-UHFFFAOYSA-N 2 2 361.493 3.344 20 30 FGEDLP Cc1[nH+]c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccc1CC#N ZINC001164955422 722022520 /nfs/dbraw/zinc/02/25/20/722022520.db2.gz GEOUCTWYKVHEHM-UHFFFAOYSA-N 2 2 361.493 3.344 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000740861254 722538633 /nfs/dbraw/zinc/53/86/33/722538633.db2.gz MFOXHXLAZDZJNX-IAGOWNOFSA-N 2 2 363.575 3.316 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2C[C@H](C)C[C@H]2C)c1=S ZINC000740861254 722538634 /nfs/dbraw/zinc/53/86/34/722538634.db2.gz MFOXHXLAZDZJNX-IAGOWNOFSA-N 2 2 363.575 3.316 20 30 FGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000815652127 727088982 /nfs/dbraw/zinc/08/89/82/727088982.db2.gz QASGRWKBOMBEHW-MRXNPFEDSA-N 2 2 351.288 3.208 20 30 FGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000815652127 727088986 /nfs/dbraw/zinc/08/89/86/727088986.db2.gz QASGRWKBOMBEHW-MRXNPFEDSA-N 2 2 351.288 3.208 20 30 FGEDLP C=CCC[C@@H](CCC)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119061722 495083331 /nfs/dbraw/zinc/08/33/31/495083331.db2.gz SWCXPASIDMPEGW-MOPGFXCFSA-N 2 2 373.545 3.007 20 30 FGEDLP N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000134906958 495220264 /nfs/dbraw/zinc/22/02/64/495220264.db2.gz IETJMUXCZQZXND-DNVCBOLYSA-N 2 2 372.900 3.099 20 30 FGEDLP N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000134906958 495220266 /nfs/dbraw/zinc/22/02/66/495220266.db2.gz IETJMUXCZQZXND-DNVCBOLYSA-N 2 2 372.900 3.099 20 30 FGEDLP N#Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000134906958 495220268 /nfs/dbraw/zinc/22/02/68/495220268.db2.gz IETJMUXCZQZXND-DNVCBOLYSA-N 2 2 372.900 3.099 20 30 FGEDLP N#Cc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000134906958 495220269 /nfs/dbraw/zinc/22/02/69/495220269.db2.gz IETJMUXCZQZXND-DNVCBOLYSA-N 2 2 372.900 3.099 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000119951496 495276714 /nfs/dbraw/zinc/27/67/14/495276714.db2.gz QJXWFTGAEPYIAQ-HBMCJLEFSA-N 2 2 351.494 3.070 20 30 FGEDLP NC(=[NH+]OCCCCC(F)(F)F)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000154317961 495578585 /nfs/dbraw/zinc/57/85/85/495578585.db2.gz OZGPHGGGKNNQHN-UHFFFAOYSA-N 2 2 373.419 3.013 20 30 FGEDLP CCc1noc(CC)c1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181878534 496583402 /nfs/dbraw/zinc/58/34/02/496583402.db2.gz NSCHBRTZXLKISQ-UHFFFAOYSA-N 2 2 352.482 3.425 20 30 FGEDLP C=CC[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000188283139 496739544 /nfs/dbraw/zinc/73/95/44/496739544.db2.gz PVVAZAVRRXINBV-NRFANRHFSA-N 2 2 369.553 3.413 20 30 FGEDLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(OCC#N)cc1 ZINC000272272684 497583515 /nfs/dbraw/zinc/58/35/15/497583515.db2.gz NOGFCVZHVYJJGL-LPHOPBHVSA-N 2 2 365.481 3.297 20 30 FGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329804674 497907802 /nfs/dbraw/zinc/90/78/02/497907802.db2.gz KIMFECXJYZQTJU-UZLBHIALSA-N 2 2 367.497 3.024 20 30 FGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329804674 497907810 /nfs/dbraw/zinc/90/78/10/497907810.db2.gz KIMFECXJYZQTJU-UZLBHIALSA-N 2 2 367.497 3.024 20 30 FGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329804674 497907815 /nfs/dbraw/zinc/90/78/15/497907815.db2.gz KIMFECXJYZQTJU-UZLBHIALSA-N 2 2 367.497 3.024 20 30 FGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329804674 497907823 /nfs/dbraw/zinc/90/78/23/497907823.db2.gz KIMFECXJYZQTJU-UZLBHIALSA-N 2 2 367.497 3.024 20 30 FGEDLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000330265153 498085272 /nfs/dbraw/zinc/08/52/72/498085272.db2.gz YVIARNLFOUIOPE-UHFFFAOYSA-N 2 2 374.485 3.436 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000289541312 498187299 /nfs/dbraw/zinc/18/72/99/498187299.db2.gz PFMMMZZEUSWFCX-UHFFFAOYSA-N 2 2 363.303 3.227 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292996285 498227137 /nfs/dbraw/zinc/22/71/37/498227137.db2.gz OLDDESHXHJLEJN-KNQAVFIVSA-N 2 2 368.525 3.048 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292996285 498227146 /nfs/dbraw/zinc/22/71/46/498227146.db2.gz OLDDESHXHJLEJN-KNQAVFIVSA-N 2 2 368.525 3.048 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292996285 498227149 /nfs/dbraw/zinc/22/71/49/498227149.db2.gz OLDDESHXHJLEJN-KNQAVFIVSA-N 2 2 368.525 3.048 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292996285 498227155 /nfs/dbraw/zinc/22/71/55/498227155.db2.gz OLDDESHXHJLEJN-KNQAVFIVSA-N 2 2 368.525 3.048 20 30 FGEDLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1C#N ZINC000282006136 498353467 /nfs/dbraw/zinc/35/34/67/498353467.db2.gz JEIRVVWIHAHVAQ-KRWDZBQOSA-N 2 2 350.466 3.479 20 30 FGEDLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1C#N ZINC000282006136 498353470 /nfs/dbraw/zinc/35/34/70/498353470.db2.gz JEIRVVWIHAHVAQ-KRWDZBQOSA-N 2 2 350.466 3.479 20 30 FGEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC#Cc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000365239359 498368224 /nfs/dbraw/zinc/36/82/24/498368224.db2.gz DQIOHSNVAFPERT-RBBKRZOGSA-N 2 2 350.510 3.177 20 30 FGEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)CC#Cc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000365239359 498368226 /nfs/dbraw/zinc/36/82/26/498368226.db2.gz DQIOHSNVAFPERT-RBBKRZOGSA-N 2 2 350.510 3.177 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)CC#Cc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000365239359 498368230 /nfs/dbraw/zinc/36/82/30/498368230.db2.gz DQIOHSNVAFPERT-RBBKRZOGSA-N 2 2 350.510 3.177 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC#Cc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000365239359 498368232 /nfs/dbraw/zinc/36/82/32/498368232.db2.gz DQIOHSNVAFPERT-RBBKRZOGSA-N 2 2 350.510 3.177 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)CC1 ZINC000291068605 498781675 /nfs/dbraw/zinc/78/16/75/498781675.db2.gz DUJGDCDXGJFQIX-UHFFFAOYSA-N 2 2 354.853 3.265 20 30 FGEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C#N)cs2)[C@@H]1c1cnn(C)c1 ZINC000328634308 498883074 /nfs/dbraw/zinc/88/30/74/498883074.db2.gz MOCJRIRSXUNRAX-QFBILLFUSA-N 2 2 357.527 3.258 20 30 FGEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C#N)cs2)[C@@H]1c1cnn(C)c1 ZINC000328634308 498883076 /nfs/dbraw/zinc/88/30/76/498883076.db2.gz MOCJRIRSXUNRAX-QFBILLFUSA-N 2 2 357.527 3.258 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc(C#N)cs2)[C@@H]1c1cnn(C)c1 ZINC000328634308 498883080 /nfs/dbraw/zinc/88/30/80/498883080.db2.gz MOCJRIRSXUNRAX-QFBILLFUSA-N 2 2 357.527 3.258 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc(C#N)cs2)[C@@H]1c1cnn(C)c1 ZINC000328634308 498883082 /nfs/dbraw/zinc/88/30/82/498883082.db2.gz MOCJRIRSXUNRAX-QFBILLFUSA-N 2 2 357.527 3.258 20 30 FGEDLP CC1CC[NH+](C2CCC(NC(=O)N3CC[C@@H](c4[nH+]ccn4C)C3)CC2)CC1 ZINC000328877088 498971196 /nfs/dbraw/zinc/97/11/96/498971196.db2.gz SYWRNAPWWQAQOJ-LMDPOFIKSA-N 2 2 373.545 3.167 20 30 FGEDLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329498747 499128288 /nfs/dbraw/zinc/12/82/88/499128288.db2.gz XXZHXHXMXZBCDP-AEFFLSMTSA-N 2 2 374.529 3.170 20 30 FGEDLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329498747 499128289 /nfs/dbraw/zinc/12/82/89/499128289.db2.gz XXZHXHXMXZBCDP-AEFFLSMTSA-N 2 2 374.529 3.170 20 30 FGEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC#Cc1ccc(C(F)(F)F)cc1 ZINC000371302356 499307707 /nfs/dbraw/zinc/30/77/07/499307707.db2.gz YIFSQJJTJPSYIY-QYZOEREBSA-N 2 2 366.427 3.240 20 30 FGEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC#Cc1ccc(C(F)(F)F)cc1 ZINC000371302356 499307708 /nfs/dbraw/zinc/30/77/08/499307708.db2.gz YIFSQJJTJPSYIY-QYZOEREBSA-N 2 2 366.427 3.240 20 30 FGEDLP COc1ccc([C@H](CCC#N)[NH2+]C[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000373188268 499456251 /nfs/dbraw/zinc/45/62/51/499456251.db2.gz SRMJAAIQJFLWEN-SESVDKBCSA-N 2 2 357.498 3.131 20 30 FGEDLP COc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1C#N ZINC000373487576 499472947 /nfs/dbraw/zinc/47/29/47/499472947.db2.gz WMQWFWIAJCMSDY-UHFFFAOYSA-N 2 2 367.415 3.462 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1OC ZINC000415071962 499860657 /nfs/dbraw/zinc/86/06/57/499860657.db2.gz UXQIHICBRAOGTI-AWEZNQCLSA-N 2 2 369.303 3.254 20 30 FGEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000573342404 506176168 /nfs/dbraw/zinc/17/61/68/506176168.db2.gz LLVIAIAQEJOPDE-GOSISDBHSA-N 2 2 352.400 3.354 20 30 FGEDLP C[N@H+]1CCC[C@@]2(CC[NH+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000573342404 506176170 /nfs/dbraw/zinc/17/61/70/506176170.db2.gz LLVIAIAQEJOPDE-GOSISDBHSA-N 2 2 352.400 3.354 20 30 FGEDLP C[NH+]1CCC[C@@]2(CC[N@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000573342404 506176172 /nfs/dbraw/zinc/17/61/72/506176172.db2.gz LLVIAIAQEJOPDE-GOSISDBHSA-N 2 2 352.400 3.354 20 30 FGEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC#Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000573342404 506176174 /nfs/dbraw/zinc/17/61/74/506176174.db2.gz LLVIAIAQEJOPDE-GOSISDBHSA-N 2 2 352.400 3.354 20 30 FGEDLP C=CCOc1ccc(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435425363 500972532 /nfs/dbraw/zinc/97/25/32/500972532.db2.gz CSNMAWZLUMHSCF-HXUWFJFHSA-N 2 2 366.509 3.129 20 30 FGEDLP C=CCOc1ccc(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435425363 500972535 /nfs/dbraw/zinc/97/25/35/500972535.db2.gz CSNMAWZLUMHSCF-HXUWFJFHSA-N 2 2 366.509 3.129 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000478032931 501859316 /nfs/dbraw/zinc/85/93/16/501859316.db2.gz YTANUBGYJDALBV-MSOLQXFVSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000478032931 501859319 /nfs/dbraw/zinc/85/93/19/501859319.db2.gz YTANUBGYJDALBV-MSOLQXFVSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000478032931 501859322 /nfs/dbraw/zinc/85/93/22/501859322.db2.gz YTANUBGYJDALBV-MSOLQXFVSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000478032931 501859325 /nfs/dbraw/zinc/85/93/25/501859325.db2.gz YTANUBGYJDALBV-MSOLQXFVSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000482881574 502206787 /nfs/dbraw/zinc/20/67/87/502206787.db2.gz DKBZXRSOVFGBDW-UHFFFAOYSA-N 2 2 352.482 3.182 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483488460 502406954 /nfs/dbraw/zinc/40/69/54/502406954.db2.gz YHZKOBVDQTVLCN-FCHUYYIVSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483488460 502406959 /nfs/dbraw/zinc/40/69/59/502406959.db2.gz YHZKOBVDQTVLCN-FCHUYYIVSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483488460 502406962 /nfs/dbraw/zinc/40/69/62/502406962.db2.gz YHZKOBVDQTVLCN-FCHUYYIVSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483488460 502406967 /nfs/dbraw/zinc/40/69/67/502406967.db2.gz YHZKOBVDQTVLCN-FCHUYYIVSA-N 2 2 369.553 3.398 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483514142 502417687 /nfs/dbraw/zinc/41/76/87/502417687.db2.gz QSBIFYCVIUARFS-FCHUYYIVSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483514142 502417690 /nfs/dbraw/zinc/41/76/90/502417690.db2.gz QSBIFYCVIUARFS-FCHUYYIVSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483514142 502417695 /nfs/dbraw/zinc/41/76/95/502417695.db2.gz QSBIFYCVIUARFS-FCHUYYIVSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483514142 502417700 /nfs/dbraw/zinc/41/77/00/502417700.db2.gz QSBIFYCVIUARFS-FCHUYYIVSA-N 2 2 367.537 3.174 20 30 FGEDLP C[C@H]1CN(c2cc(C#N)ccc2C(F)(F)F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000505708350 502971334 /nfs/dbraw/zinc/97/13/34/502971334.db2.gz YYWYSMJLDZEYEZ-AWEZNQCLSA-N 2 2 366.431 3.182 20 30 FGEDLP C[C@H]1CN(c2cc(C#N)ccc2C(F)(F)F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000505708350 502971339 /nfs/dbraw/zinc/97/13/39/502971339.db2.gz YYWYSMJLDZEYEZ-AWEZNQCLSA-N 2 2 366.431 3.182 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000499942187 503516716 /nfs/dbraw/zinc/51/67/16/503516716.db2.gz FQCSCZNBKFWUFK-FQEVSTJZSA-N 2 2 370.541 3.356 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000499942187 503516721 /nfs/dbraw/zinc/51/67/21/503516721.db2.gz FQCSCZNBKFWUFK-FQEVSTJZSA-N 2 2 370.541 3.356 20 30 FGEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000500086639 503549418 /nfs/dbraw/zinc/54/94/18/503549418.db2.gz JXAVJBDFAOTTFL-ORFBVSJDSA-N 2 2 355.526 3.337 20 30 FGEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000500086639 503549422 /nfs/dbraw/zinc/54/94/22/503549422.db2.gz JXAVJBDFAOTTFL-ORFBVSJDSA-N 2 2 355.526 3.337 20 30 FGEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(F)c1 ZINC000537305907 503874469 /nfs/dbraw/zinc/87/44/69/503874469.db2.gz AMQOTDBCRPTGOU-UHFFFAOYSA-N 2 2 353.441 3.460 20 30 FGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582729186 506386732 /nfs/dbraw/zinc/38/67/32/506386732.db2.gz CKLXUPTWLBDONE-UZLBHIALSA-N 2 2 364.449 3.467 20 30 FGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582729186 506386736 /nfs/dbraw/zinc/38/67/36/506386736.db2.gz CKLXUPTWLBDONE-UZLBHIALSA-N 2 2 364.449 3.467 20 30 FGEDLP N#Cc1ccc2ncc(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)n2c1 ZINC000589189089 506475706 /nfs/dbraw/zinc/47/57/06/506475706.db2.gz ZNRXMNJAZUDRLO-QHCPKHFHSA-N 2 2 371.488 3.304 20 30 FGEDLP N#Cc1ccc2ncc(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)n2c1 ZINC000589189089 506475714 /nfs/dbraw/zinc/47/57/14/506475714.db2.gz ZNRXMNJAZUDRLO-QHCPKHFHSA-N 2 2 371.488 3.304 20 30 FGEDLP N#Cc1ccc2ncc(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)n2c1 ZINC000589189089 506475720 /nfs/dbraw/zinc/47/57/20/506475720.db2.gz ZNRXMNJAZUDRLO-QHCPKHFHSA-N 2 2 371.488 3.304 20 30 FGEDLP N#Cc1ccc2ncc(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)n2c1 ZINC000589189089 506475726 /nfs/dbraw/zinc/47/57/26/506475726.db2.gz ZNRXMNJAZUDRLO-QHCPKHFHSA-N 2 2 371.488 3.304 20 30 FGEDLP CCn1nc(C)c(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1C ZINC000593693009 506734284 /nfs/dbraw/zinc/73/42/84/506734284.db2.gz LTAXAYXMYIGXHK-UHFFFAOYSA-N 2 2 351.498 3.146 20 30 FGEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)s1 ZINC000583573167 506858032 /nfs/dbraw/zinc/85/80/32/506858032.db2.gz MJVWIDXVDFKYOE-OAHLLOKOSA-N 2 2 354.479 3.268 20 30 FGEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)s1 ZINC000583573167 506858041 /nfs/dbraw/zinc/85/80/41/506858041.db2.gz MJVWIDXVDFKYOE-OAHLLOKOSA-N 2 2 354.479 3.268 20 30 FGEDLP C=CCc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc(OC)c1O ZINC000629657583 716331989 /nfs/dbraw/zinc/33/19/89/716331989.db2.gz ZZIXUKJIPHYFQA-GJZGRUSLSA-N 2 2 358.404 3.088 20 30 FGEDLP C=CCc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc(OC)c1O ZINC000629657583 716331995 /nfs/dbraw/zinc/33/19/95/716331995.db2.gz ZZIXUKJIPHYFQA-GJZGRUSLSA-N 2 2 358.404 3.088 20 30 FGEDLP N#CC1(c2ccccc2)CCC([N@@H+]2CCc3sc(C[NH3+])nc3C2)CC1 ZINC000925748628 759530474 /nfs/dbraw/zinc/53/04/74/759530474.db2.gz RZDCJNSOSFHBEH-UHFFFAOYSA-N 2 2 352.507 3.364 20 30 FGEDLP N#CC1(c2ccccc2)CCC([N@H+]2CCc3sc(C[NH3+])nc3C2)CC1 ZINC000925748628 759530475 /nfs/dbraw/zinc/53/04/75/759530475.db2.gz RZDCJNSOSFHBEH-UHFFFAOYSA-N 2 2 352.507 3.364 20 30 FGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1(Br)CC1 ZINC000926661231 759797808 /nfs/dbraw/zinc/79/78/08/759797808.db2.gz MYKRFHXZJREKCI-AWEZNQCLSA-N 2 2 362.315 3.428 20 30 FGEDLP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000083172570 494002864 /nfs/dbraw/zinc/00/28/64/494002864.db2.gz ZVVYPHLBUFNATA-HXUWFJFHSA-N 2 2 357.498 3.216 20 30 FGEDLP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000083172570 494002868 /nfs/dbraw/zinc/00/28/68/494002868.db2.gz ZVVYPHLBUFNATA-HXUWFJFHSA-N 2 2 357.498 3.216 20 30 FGEDLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000091075500 494524285 /nfs/dbraw/zinc/52/42/85/494524285.db2.gz ORSQRLJYHNCWCI-UHFFFAOYSA-N 2 2 370.522 3.449 20 30 FGEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000091075500 494524286 /nfs/dbraw/zinc/52/42/86/494524286.db2.gz ORSQRLJYHNCWCI-UHFFFAOYSA-N 2 2 370.522 3.449 20 30 FGEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccccc2)CC[N@@H+]1C ZINC000093643847 494907018 /nfs/dbraw/zinc/90/70/18/494907018.db2.gz FHFGLNHQGDNPOW-YLJYHZDGSA-N 2 2 351.498 3.378 20 30 FGEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccccc2)CC[N@H+]1C ZINC000093643847 494907022 /nfs/dbraw/zinc/90/70/22/494907022.db2.gz FHFGLNHQGDNPOW-YLJYHZDGSA-N 2 2 351.498 3.378 20 30 FGEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)CC[NH+]1C ZINC000093643847 494907028 /nfs/dbraw/zinc/90/70/28/494907028.db2.gz FHFGLNHQGDNPOW-YLJYHZDGSA-N 2 2 351.498 3.378 20 30 FGEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)CC[NH+]1C ZINC000093643847 494907033 /nfs/dbraw/zinc/90/70/33/494907033.db2.gz FHFGLNHQGDNPOW-YLJYHZDGSA-N 2 2 351.498 3.378 20 30 FGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CC1(C[NH+]3CCOCC3)CCCCC1)CC2 ZINC000577546859 505749615 /nfs/dbraw/zinc/74/96/15/505749615.db2.gz IGRGBRAWBLTASS-OAQYLSRUSA-N 2 2 353.510 3.418 20 30 FGEDLP C[N@H+](Cc1cnc2ccc(C#N)cn12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119315443 495140420 /nfs/dbraw/zinc/14/04/20/495140420.db2.gz NQDMIBGJGSUGDQ-UHFFFAOYSA-N 2 2 359.477 3.302 20 30 FGEDLP C[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119315443 495140424 /nfs/dbraw/zinc/14/04/24/495140424.db2.gz NQDMIBGJGSUGDQ-UHFFFAOYSA-N 2 2 359.477 3.302 20 30 FGEDLP Cn1cc[nH+]c1CN1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000106441423 495456435 /nfs/dbraw/zinc/45/64/35/495456435.db2.gz PZCUTMZIKANIGC-UHFFFAOYSA-N 2 2 371.488 3.277 20 30 FGEDLP C=CCC[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000131008772 495479024 /nfs/dbraw/zinc/47/90/24/495479024.db2.gz VVMYBFLEKMSJAB-FQEVSTJZSA-N 2 2 358.530 3.019 20 30 FGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC[C@@H]21 ZINC000158576031 495541548 /nfs/dbraw/zinc/54/15/48/495541548.db2.gz WOCYWQAONHIQKI-APWZRJJASA-N 2 2 374.916 3.003 20 30 FGEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC[C@@H]21 ZINC000158576031 495541550 /nfs/dbraw/zinc/54/15/50/495541550.db2.gz WOCYWQAONHIQKI-APWZRJJASA-N 2 2 374.916 3.003 20 30 FGEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC[C@@H]21 ZINC000158576031 495541552 /nfs/dbraw/zinc/54/15/52/495541552.db2.gz WOCYWQAONHIQKI-APWZRJJASA-N 2 2 374.916 3.003 20 30 FGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC[C@@H]21 ZINC000158576031 495541555 /nfs/dbraw/zinc/54/15/55/495541555.db2.gz WOCYWQAONHIQKI-APWZRJJASA-N 2 2 374.916 3.003 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000152394023 496137432 /nfs/dbraw/zinc/13/74/32/496137432.db2.gz XPOSXOKMQTVLGB-VQTJNVASSA-N 2 2 370.541 3.212 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000152394023 496137437 /nfs/dbraw/zinc/13/74/37/496137437.db2.gz XPOSXOKMQTVLGB-VQTJNVASSA-N 2 2 370.541 3.212 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000152394023 496137441 /nfs/dbraw/zinc/13/74/41/496137441.db2.gz XPOSXOKMQTVLGB-VQTJNVASSA-N 2 2 370.541 3.212 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000152394023 496137447 /nfs/dbraw/zinc/13/74/47/496137447.db2.gz XPOSXOKMQTVLGB-VQTJNVASSA-N 2 2 370.541 3.212 20 30 FGEDLP CC(C)(C)OC(=O)NCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181686028 496503317 /nfs/dbraw/zinc/50/33/17/496503317.db2.gz NLZGSNHBJQAKLM-UHFFFAOYSA-N 2 2 372.513 3.027 20 30 FGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1CO)CC2 ZINC000569175494 505869372 /nfs/dbraw/zinc/86/93/72/505869372.db2.gz NPORLZOLEXTOLI-ACIOBRDBSA-N 2 2 361.489 3.018 20 30 FGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1CO)CC2 ZINC000569175494 505869373 /nfs/dbraw/zinc/86/93/73/505869373.db2.gz NPORLZOLEXTOLI-ACIOBRDBSA-N 2 2 361.489 3.018 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3CCCC[N@@H+]3C3CC3)CC2)cc1 ZINC000278445164 497116199 /nfs/dbraw/zinc/11/61/99/497116199.db2.gz KUOHKXCCRKBOIR-QFIPXVFZSA-N 2 2 352.526 3.129 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3CCCC[N@H+]3C3CC3)CC2)cc1 ZINC000278445164 497116203 /nfs/dbraw/zinc/11/62/03/497116203.db2.gz KUOHKXCCRKBOIR-QFIPXVFZSA-N 2 2 352.526 3.129 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246878741 497818245 /nfs/dbraw/zinc/81/82/45/497818245.db2.gz AVNFYRRCKFDVOX-FPOVZHCZSA-N 2 2 357.542 3.396 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246878741 497818246 /nfs/dbraw/zinc/81/82/46/497818246.db2.gz AVNFYRRCKFDVOX-FPOVZHCZSA-N 2 2 357.542 3.396 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246878741 497818247 /nfs/dbraw/zinc/81/82/47/497818247.db2.gz AVNFYRRCKFDVOX-FPOVZHCZSA-N 2 2 357.542 3.396 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246878741 497818248 /nfs/dbraw/zinc/81/82/48/497818248.db2.gz AVNFYRRCKFDVOX-FPOVZHCZSA-N 2 2 357.542 3.396 20 30 FGEDLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000329921293 497953440 /nfs/dbraw/zinc/95/34/40/497953440.db2.gz FNVJIAWWDGHMCW-NSHDSACASA-N 2 2 364.352 3.199 20 30 FGEDLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000329921293 497953445 /nfs/dbraw/zinc/95/34/45/497953445.db2.gz FNVJIAWWDGHMCW-NSHDSACASA-N 2 2 364.352 3.199 20 30 FGEDLP C[N@H+](CCCOc1cccc(C#N)c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000364438494 497958927 /nfs/dbraw/zinc/95/89/27/497958927.db2.gz BMPLZLGWDMTCRL-UHFFFAOYSA-N 2 2 350.466 3.323 20 30 FGEDLP C[N@@H+](CCCOc1cccc(C#N)c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000364438494 497958933 /nfs/dbraw/zinc/95/89/33/497958933.db2.gz BMPLZLGWDMTCRL-UHFFFAOYSA-N 2 2 350.466 3.323 20 30 FGEDLP COc1ccc(C#N)cc1C[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000364465686 497971605 /nfs/dbraw/zinc/97/16/05/497971605.db2.gz PMQPGLNQAKCLOP-LIRRHRJNSA-N 2 2 370.522 3.332 20 30 FGEDLP COc1ccc(C#N)cc1C[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000364465686 497971613 /nfs/dbraw/zinc/97/16/13/497971613.db2.gz PMQPGLNQAKCLOP-LIRRHRJNSA-N 2 2 370.522 3.332 20 30 FGEDLP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329981218 497978381 /nfs/dbraw/zinc/97/83/81/497978381.db2.gz MVHQNEUALHHSQO-GOSISDBHSA-N 2 2 367.497 3.025 20 30 FGEDLP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329981218 497978384 /nfs/dbraw/zinc/97/83/84/497978384.db2.gz MVHQNEUALHHSQO-GOSISDBHSA-N 2 2 367.497 3.025 20 30 FGEDLP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329981218 497978388 /nfs/dbraw/zinc/97/83/88/497978388.db2.gz MVHQNEUALHHSQO-GOSISDBHSA-N 2 2 367.497 3.025 20 30 FGEDLP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329981218 497978393 /nfs/dbraw/zinc/97/83/93/497978393.db2.gz MVHQNEUALHHSQO-GOSISDBHSA-N 2 2 367.497 3.025 20 30 FGEDLP Cc1[nH+]c2ccccc2n1CCC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000330017118 497992749 /nfs/dbraw/zinc/99/27/49/497992749.db2.gz QPBYIOWRHCIGEX-QGZVFWFLSA-N 2 2 370.497 3.192 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1C ZINC000285406328 498076229 /nfs/dbraw/zinc/07/62/29/498076229.db2.gz FMEKTHVDJGCSJL-PMSBKCLSSA-N 2 2 368.525 3.107 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C ZINC000285406328 498076244 /nfs/dbraw/zinc/07/62/44/498076244.db2.gz FMEKTHVDJGCSJL-PMSBKCLSSA-N 2 2 368.525 3.107 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1C ZINC000285406328 498076235 /nfs/dbraw/zinc/07/62/35/498076235.db2.gz FMEKTHVDJGCSJL-PMSBKCLSSA-N 2 2 368.525 3.107 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000285406328 498076247 /nfs/dbraw/zinc/07/62/47/498076247.db2.gz FMEKTHVDJGCSJL-PMSBKCLSSA-N 2 2 368.525 3.107 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000330787854 498193889 /nfs/dbraw/zinc/19/38/89/498193889.db2.gz XUALGBYUPIVJKU-BNDYYXHWSA-N 2 2 362.562 3.016 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000330787854 498193899 /nfs/dbraw/zinc/19/38/99/498193899.db2.gz XUALGBYUPIVJKU-BNDYYXHWSA-N 2 2 362.562 3.016 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000330787854 498193907 /nfs/dbraw/zinc/19/39/07/498193907.db2.gz XUALGBYUPIVJKU-BNDYYXHWSA-N 2 2 362.562 3.016 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000330787854 498193915 /nfs/dbraw/zinc/19/39/15/498193915.db2.gz XUALGBYUPIVJKU-BNDYYXHWSA-N 2 2 362.562 3.016 20 30 FGEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000330787855 498194686 /nfs/dbraw/zinc/19/46/86/498194686.db2.gz XUALGBYUPIVJKU-WERVVEIQSA-N 2 2 362.562 3.016 20 30 FGEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000330787855 498194694 /nfs/dbraw/zinc/19/46/94/498194694.db2.gz XUALGBYUPIVJKU-WERVVEIQSA-N 2 2 362.562 3.016 20 30 FGEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000330787855 498194699 /nfs/dbraw/zinc/19/46/99/498194699.db2.gz XUALGBYUPIVJKU-WERVVEIQSA-N 2 2 362.562 3.016 20 30 FGEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000330787855 498194706 /nfs/dbraw/zinc/19/47/06/498194706.db2.gz XUALGBYUPIVJKU-WERVVEIQSA-N 2 2 362.562 3.016 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000361666275 498416890 /nfs/dbraw/zinc/41/68/90/498416890.db2.gz DLBBBPYZJLKFGN-MSOLQXFVSA-N 2 2 371.529 3.202 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000361666275 498416898 /nfs/dbraw/zinc/41/68/98/498416898.db2.gz DLBBBPYZJLKFGN-MSOLQXFVSA-N 2 2 371.529 3.202 20 30 FGEDLP CCc1[nH+]ccn1[C@@H]1CCCN(C([O-])=[NH+]C[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328642391 498887095 /nfs/dbraw/zinc/88/70/95/498887095.db2.gz DUOUWIJIEHGFEZ-IAGOWNOFSA-N 2 2 370.501 3.079 20 30 FGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000328889084 498975071 /nfs/dbraw/zinc/97/50/71/498975071.db2.gz QOMSKTAIBMLOSO-NEWSRXKRSA-N 2 2 367.497 3.339 20 30 FGEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CCC[C@H](c3[nH]cc[nH+]3)C1)C2 ZINC000329240645 499081461 /nfs/dbraw/zinc/08/14/61/499081461.db2.gz RCHVFQFIQFECCI-GJZGRUSLSA-N 2 2 370.501 3.012 20 30 FGEDLP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370017334 499166889 /nfs/dbraw/zinc/16/68/89/499166889.db2.gz FEHOEMROWFMUBY-QGZVFWFLSA-N 2 2 350.466 3.479 20 30 FGEDLP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370017332 499167063 /nfs/dbraw/zinc/16/70/63/499167063.db2.gz FEHOEMROWFMUBY-KRWDZBQOSA-N 2 2 350.466 3.479 20 30 FGEDLP C=CCN(C(=O)[C@@H]1CCCn2cc[nH+]c21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000371827358 499369315 /nfs/dbraw/zinc/36/93/15/499369315.db2.gz USMIGATWFWTKEJ-WOJBJXKFSA-N 2 2 364.493 3.050 20 30 FGEDLP C=CCN(C(=O)[C@@H]1CCCn2cc[nH+]c21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000371827358 499369317 /nfs/dbraw/zinc/36/93/17/499369317.db2.gz USMIGATWFWTKEJ-WOJBJXKFSA-N 2 2 364.493 3.050 20 30 FGEDLP COc1ccc([C@H](CCC#N)[NH2+]C[C@H]2CCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000373188266 499456222 /nfs/dbraw/zinc/45/62/22/499456222.db2.gz SRMJAAIQJFLWEN-HLAWJBBLSA-N 2 2 357.498 3.131 20 30 FGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000375462805 499522222 /nfs/dbraw/zinc/52/22/22/499522222.db2.gz TXXKSWHHGMBUFS-UHFFFAOYSA-N 2 2 372.476 3.160 20 30 FGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000375462805 499522223 /nfs/dbraw/zinc/52/22/23/499522223.db2.gz TXXKSWHHGMBUFS-UHFFFAOYSA-N 2 2 372.476 3.160 20 30 FGEDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000377080955 499660061 /nfs/dbraw/zinc/66/00/61/499660061.db2.gz GVUIVGIRPQASAR-SESVDKBCSA-N 2 2 351.498 3.416 20 30 FGEDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000377080955 499660062 /nfs/dbraw/zinc/66/00/62/499660062.db2.gz GVUIVGIRPQASAR-SESVDKBCSA-N 2 2 351.498 3.416 20 30 FGEDLP CC[NH+]1CCC([N@@H+]2CCCN(CC#Cc3ccc(Cl)cc3)CC2)CC1 ZINC000420976245 500545489 /nfs/dbraw/zinc/54/54/89/500545489.db2.gz GOKCYXUBUTWHSW-UHFFFAOYSA-N 2 2 359.945 3.184 20 30 FGEDLP CC[NH+]1CCC([N@H+]2CCCN(CC#Cc3ccc(Cl)cc3)CC2)CC1 ZINC000420976245 500545492 /nfs/dbraw/zinc/54/54/92/500545492.db2.gz GOKCYXUBUTWHSW-UHFFFAOYSA-N 2 2 359.945 3.184 20 30 FGEDLP CC[NH+]1CCC(N2CCC[N@H+](CC#Cc3ccc(Cl)cc3)CC2)CC1 ZINC000420976245 500545496 /nfs/dbraw/zinc/54/54/96/500545496.db2.gz GOKCYXUBUTWHSW-UHFFFAOYSA-N 2 2 359.945 3.184 20 30 FGEDLP CC[NH+]1CCC(N2CCC[N@@H+](CC#Cc3ccc(Cl)cc3)CC2)CC1 ZINC000420976245 500545499 /nfs/dbraw/zinc/54/54/99/500545499.db2.gz GOKCYXUBUTWHSW-UHFFFAOYSA-N 2 2 359.945 3.184 20 30 FGEDLP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C1)CCCC2 ZINC000459435490 501653542 /nfs/dbraw/zinc/65/35/42/501653542.db2.gz VWWPUFJGCHOHNT-MRXNPFEDSA-N 2 2 365.437 3.297 20 30 FGEDLP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C1)CCCC2 ZINC000459435490 501653544 /nfs/dbraw/zinc/65/35/44/501653544.db2.gz VWWPUFJGCHOHNT-MRXNPFEDSA-N 2 2 365.437 3.297 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000478032934 501860184 /nfs/dbraw/zinc/86/01/84/501860184.db2.gz YTANUBGYJDALBV-ZWKOTPCHSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000478032934 501860189 /nfs/dbraw/zinc/86/01/89/501860189.db2.gz YTANUBGYJDALBV-ZWKOTPCHSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000478032934 501860195 /nfs/dbraw/zinc/86/01/95/501860195.db2.gz YTANUBGYJDALBV-ZWKOTPCHSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000478032934 501860199 /nfs/dbraw/zinc/86/01/99/501860199.db2.gz YTANUBGYJDALBV-ZWKOTPCHSA-N 2 2 363.571 3.315 20 30 FGEDLP C=CCN1CC[C@H]([N@H+](C)CCCCCn2c(C)[nH+]c3ccccc32)C1=O ZINC000463206729 502719105 /nfs/dbraw/zinc/71/91/05/502719105.db2.gz SAWHLXXLCXXWEP-FQEVSTJZSA-N 2 2 354.498 3.234 20 30 FGEDLP C=CCN1CC[C@H]([N@@H+](C)CCCCCn2c(C)[nH+]c3ccccc32)C1=O ZINC000463206729 502719108 /nfs/dbraw/zinc/71/91/08/502719108.db2.gz SAWHLXXLCXXWEP-FQEVSTJZSA-N 2 2 354.498 3.234 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000473910683 502746092 /nfs/dbraw/zinc/74/60/92/502746092.db2.gz HEEGHTGTRLQWSM-OAHLLOKOSA-N 2 2 359.433 3.407 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000473910683 502746093 /nfs/dbraw/zinc/74/60/93/502746093.db2.gz HEEGHTGTRLQWSM-OAHLLOKOSA-N 2 2 359.433 3.407 20 30 FGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H]1C ZINC000484929880 502780014 /nfs/dbraw/zinc/78/00/14/502780014.db2.gz YOXPURZMSDFCAA-UYAOXDASSA-N 2 2 370.541 3.355 20 30 FGEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H]1C ZINC000484929880 502780016 /nfs/dbraw/zinc/78/00/16/502780016.db2.gz YOXPURZMSDFCAA-UYAOXDASSA-N 2 2 370.541 3.355 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H]1C ZINC000484929880 502780023 /nfs/dbraw/zinc/78/00/23/502780023.db2.gz YOXPURZMSDFCAA-UYAOXDASSA-N 2 2 370.541 3.355 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H]1C ZINC000484929880 502780027 /nfs/dbraw/zinc/78/00/27/502780027.db2.gz YOXPURZMSDFCAA-UYAOXDASSA-N 2 2 370.541 3.355 20 30 FGEDLP C=CCn1cccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000488790376 502810162 /nfs/dbraw/zinc/81/01/62/502810162.db2.gz WNVXPGZASXVBIY-PMACEKPBSA-N 2 2 372.557 3.083 20 30 FGEDLP C=CCn1cccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000488790376 502810165 /nfs/dbraw/zinc/81/01/65/502810165.db2.gz WNVXPGZASXVBIY-PMACEKPBSA-N 2 2 372.557 3.083 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378724 503397704 /nfs/dbraw/zinc/39/77/04/503397704.db2.gz UDHWGCBGOFDYKL-MSOLQXFVSA-N 2 2 358.530 3.212 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378724 503397706 /nfs/dbraw/zinc/39/77/06/503397706.db2.gz UDHWGCBGOFDYKL-MSOLQXFVSA-N 2 2 358.530 3.212 20 30 FGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000518015422 503889920 /nfs/dbraw/zinc/88/99/20/503889920.db2.gz QNEZSBIYTBXTDR-HSZRJFAPSA-N 2 2 360.505 3.347 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000534470371 504150267 /nfs/dbraw/zinc/15/02/67/504150267.db2.gz KTIYSHLWHLNKMP-GOSISDBHSA-N 2 2 354.498 3.234 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000534470371 504150271 /nfs/dbraw/zinc/15/02/71/504150271.db2.gz KTIYSHLWHLNKMP-GOSISDBHSA-N 2 2 354.498 3.234 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083436 507106582 /nfs/dbraw/zinc/10/65/82/507106582.db2.gz VXCYKALFEBPANA-INIZCTEOSA-N 2 2 356.495 3.437 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083436 507106584 /nfs/dbraw/zinc/10/65/84/507106584.db2.gz VXCYKALFEBPANA-INIZCTEOSA-N 2 2 356.495 3.437 20 30 FGEDLP CC(C)(C#N)c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000594515445 507164710 /nfs/dbraw/zinc/16/47/10/507164710.db2.gz VJIOSASMLKIITH-HSZRJFAPSA-N 2 2 363.505 3.214 20 30 FGEDLP CC(C)(C#N)c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000594515445 507164713 /nfs/dbraw/zinc/16/47/13/507164713.db2.gz VJIOSASMLKIITH-HSZRJFAPSA-N 2 2 363.505 3.214 20 30 FGEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)CC2)c1 ZINC000614164677 507390440 /nfs/dbraw/zinc/39/04/40/507390440.db2.gz PKCYBRCQUNEWHA-UHFFFAOYSA-N 2 2 350.466 3.214 20 30 FGEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3cc(C#N)nc4ccccc43)CC2)CC1 ZINC000610915840 507440520 /nfs/dbraw/zinc/44/05/20/507440520.db2.gz IMLONXXTNVSGLD-UHFFFAOYSA-N 2 2 363.509 3.101 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+](CC)CC2CC2)c1=S ZINC000112200197 700555859 /nfs/dbraw/zinc/55/58/59/700555859.db2.gz AAIBXIQFCHFQLG-UHFFFAOYSA-N 2 2 363.575 3.318 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+](CC)CC2CC2)c1=S ZINC000112200197 700555860 /nfs/dbraw/zinc/55/58/60/700555860.db2.gz AAIBXIQFCHFQLG-UHFFFAOYSA-N 2 2 363.575 3.318 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676476977 721806575 /nfs/dbraw/zinc/80/65/75/721806575.db2.gz DFCXZUBSZRSRAE-IAGOWNOFSA-N 2 2 358.511 3.185 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676476977 721806583 /nfs/dbraw/zinc/80/65/83/721806583.db2.gz DFCXZUBSZRSRAE-IAGOWNOFSA-N 2 2 358.511 3.185 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740861257 722538603 /nfs/dbraw/zinc/53/86/03/722538603.db2.gz MFOXHXLAZDZJNX-SJORKVTESA-N 2 2 363.575 3.316 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2C[C@H](C)C[C@@H]2C)c1=S ZINC000740861257 722538604 /nfs/dbraw/zinc/53/86/04/722538604.db2.gz MFOXHXLAZDZJNX-SJORKVTESA-N 2 2 363.575 3.316 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+]1CCC(n2c(CC)[nH+]c3ccccc32)CC1 ZINC000093300385 494863495 /nfs/dbraw/zinc/86/34/95/494863495.db2.gz OIUIMPCNXPORMO-UHFFFAOYSA-N 2 2 366.509 3.436 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000177911587 496248311 /nfs/dbraw/zinc/24/83/11/496248311.db2.gz VGUNILBZYZLOQA-KRWDZBQOSA-N 2 2 354.498 3.241 20 30 FGEDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2Br)C1 ZINC000181132849 496281953 /nfs/dbraw/zinc/28/19/53/496281953.db2.gz FKXCXYIJRVTWDV-OAHLLOKOSA-N 2 2 350.304 3.484 20 30 FGEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2Br)C1 ZINC000181132849 496281958 /nfs/dbraw/zinc/28/19/58/496281958.db2.gz FKXCXYIJRVTWDV-OAHLLOKOSA-N 2 2 350.304 3.484 20 30 FGEDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181132849 496281963 /nfs/dbraw/zinc/28/19/63/496281963.db2.gz FKXCXYIJRVTWDV-OAHLLOKOSA-N 2 2 350.304 3.484 20 30 FGEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181132849 496281969 /nfs/dbraw/zinc/28/19/69/496281969.db2.gz FKXCXYIJRVTWDV-OAHLLOKOSA-N 2 2 350.304 3.484 20 30 FGEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1O ZINC000181649737 496485679 /nfs/dbraw/zinc/48/56/79/496485679.db2.gz LDIXZEAVIHMQCO-UHFFFAOYSA-N 2 2 351.450 3.027 20 30 FGEDLP C=CCc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc(OC)c1O ZINC000184728933 496510295 /nfs/dbraw/zinc/51/02/95/496510295.db2.gz FBHXYNDVFDRSPA-INIZCTEOSA-N 2 2 355.482 3.318 20 30 FGEDLP C=CCc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc(OC)c1O ZINC000184728933 496510298 /nfs/dbraw/zinc/51/02/98/496510298.db2.gz FBHXYNDVFDRSPA-INIZCTEOSA-N 2 2 355.482 3.318 20 30 FGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@H](C)C1 ZINC000175729437 496519069 /nfs/dbraw/zinc/51/90/69/496519069.db2.gz BWDWOXFRABQCFO-YLJYHZDGSA-N 2 2 366.509 3.400 20 30 FGEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@H](C)C1 ZINC000175729437 496519076 /nfs/dbraw/zinc/51/90/76/496519076.db2.gz BWDWOXFRABQCFO-YLJYHZDGSA-N 2 2 366.509 3.400 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@H](C)C1 ZINC000175729437 496519083 /nfs/dbraw/zinc/51/90/83/496519083.db2.gz BWDWOXFRABQCFO-YLJYHZDGSA-N 2 2 366.509 3.400 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@H](C)C1 ZINC000175729437 496519090 /nfs/dbraw/zinc/51/90/90/496519090.db2.gz BWDWOXFRABQCFO-YLJYHZDGSA-N 2 2 366.509 3.400 20 30 FGEDLP Cc1[nH+]ccn1CCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181808544 496554048 /nfs/dbraw/zinc/55/40/48/496554048.db2.gz GOUCXFNTZGNZPF-UHFFFAOYSA-N 3 2 351.498 3.098 20 30 FGEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@H]21 ZINC000247248073 496815213 /nfs/dbraw/zinc/81/52/13/496815213.db2.gz XBHUSKMGZKTFNE-PZJWPPBQSA-N 2 2 363.509 3.380 20 30 FGEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@H]21 ZINC000247248073 496815215 /nfs/dbraw/zinc/81/52/15/496815215.db2.gz XBHUSKMGZKTFNE-PZJWPPBQSA-N 2 2 363.509 3.380 20 30 FGEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@H]21 ZINC000247248073 496815225 /nfs/dbraw/zinc/81/52/25/496815225.db2.gz XBHUSKMGZKTFNE-PZJWPPBQSA-N 2 2 363.509 3.380 20 30 FGEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn(CCC#N)nc3-c3ccccc3)CC[C@H]21 ZINC000247248073 496815230 /nfs/dbraw/zinc/81/52/30/496815230.db2.gz XBHUSKMGZKTFNE-PZJWPPBQSA-N 2 2 363.509 3.380 20 30 FGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1CO)CC2 ZINC000569175498 505869392 /nfs/dbraw/zinc/86/93/92/505869392.db2.gz NPORLZOLEXTOLI-AKIFATBCSA-N 2 2 361.489 3.018 20 30 FGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1CO)CC2 ZINC000569175498 505869394 /nfs/dbraw/zinc/86/93/94/505869394.db2.gz NPORLZOLEXTOLI-AKIFATBCSA-N 2 2 361.489 3.018 20 30 FGEDLP NC(=[NH+]OCc1ncc(C2CC2)o1)c1ccccc1C[NH+]1CCCCC1 ZINC000270484716 497137857 /nfs/dbraw/zinc/13/78/57/497137857.db2.gz ZLDPXSQKLDHFNV-UHFFFAOYSA-N 2 2 354.454 3.375 20 30 FGEDLP C[C@H](CCO)C1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000271899353 497482943 /nfs/dbraw/zinc/48/29/43/497482943.db2.gz VESLSFGHTUTPFW-GOSISDBHSA-N 2 2 355.526 3.301 20 30 FGEDLP C[C@@H]1C[C@H](NC([O-])=[NH+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC[N@@H+]1C ZINC000330241962 498075708 /nfs/dbraw/zinc/07/57/08/498075708.db2.gz FWZPDSCIIAVVJL-RARDXLECSA-N 2 2 367.497 3.098 20 30 FGEDLP C[C@@H]1C[C@H](NC([O-])=[NH+][C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC[N@H+]1C ZINC000330241962 498075711 /nfs/dbraw/zinc/07/57/11/498075711.db2.gz FWZPDSCIIAVVJL-RARDXLECSA-N 2 2 367.497 3.098 20 30 FGEDLP C[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC[N@@H+]1C ZINC000330241962 498075718 /nfs/dbraw/zinc/07/57/18/498075718.db2.gz FWZPDSCIIAVVJL-RARDXLECSA-N 2 2 367.497 3.098 20 30 FGEDLP C[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC[N@H+]1C ZINC000330241962 498075720 /nfs/dbraw/zinc/07/57/20/498075720.db2.gz FWZPDSCIIAVVJL-RARDXLECSA-N 2 2 367.497 3.098 20 30 FGEDLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC[N@@H+]1C ZINC000330241962 498075723 /nfs/dbraw/zinc/07/57/23/498075723.db2.gz FWZPDSCIIAVVJL-RARDXLECSA-N 2 2 367.497 3.098 20 30 FGEDLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC[N@H+]1C ZINC000330241962 498075724 /nfs/dbraw/zinc/07/57/24/498075724.db2.gz FWZPDSCIIAVVJL-RARDXLECSA-N 2 2 367.497 3.098 20 30 FGEDLP CCC[NH+]1CCC(CNC(=O)N2CCCC[C@H]2c2[nH+]ccn2CC)CC1 ZINC000330248841 498078346 /nfs/dbraw/zinc/07/83/46/498078346.db2.gz GKHFVTMGUFKTTO-SFHVURJKSA-N 2 2 361.534 3.466 20 30 FGEDLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000285418667 498078835 /nfs/dbraw/zinc/07/88/35/498078835.db2.gz GLHAIIHJPMUECB-UHFFFAOYSA-N 2 2 373.541 3.047 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328777306 498935689 /nfs/dbraw/zinc/93/56/89/498935689.db2.gz DALQJZMHICVYJU-HRAATJIYSA-N 2 2 373.497 3.242 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328777306 498935698 /nfs/dbraw/zinc/93/56/98/498935698.db2.gz DALQJZMHICVYJU-HRAATJIYSA-N 2 2 373.497 3.242 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000328777306 498935703 /nfs/dbraw/zinc/93/57/03/498935703.db2.gz DALQJZMHICVYJU-HRAATJIYSA-N 2 2 373.497 3.242 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000328777306 498935711 /nfs/dbraw/zinc/93/57/11/498935711.db2.gz DALQJZMHICVYJU-HRAATJIYSA-N 2 2 373.497 3.242 20 30 FGEDLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)n2)C1 ZINC000329414378 499117562 /nfs/dbraw/zinc/11/75/62/499117562.db2.gz CPCWWMJISKGXEP-KBPBESRZSA-N 2 2 359.499 3.422 20 30 FGEDLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)n2)C1 ZINC000329414378 499117565 /nfs/dbraw/zinc/11/75/65/499117565.db2.gz CPCWWMJISKGXEP-KBPBESRZSA-N 2 2 359.499 3.422 20 30 FGEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccccc2C#N)[C@@H]1c1cnn(C)c1 ZINC000370306085 499207560 /nfs/dbraw/zinc/20/75/60/499207560.db2.gz RVPCFMIIMQQRSW-PZJWPPBQSA-N 2 2 351.498 3.197 20 30 FGEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccccc2C#N)[C@@H]1c1cnn(C)c1 ZINC000370306085 499207561 /nfs/dbraw/zinc/20/75/61/499207561.db2.gz RVPCFMIIMQQRSW-PZJWPPBQSA-N 2 2 351.498 3.197 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccccc2C#N)[C@@H]1c1cnn(C)c1 ZINC000370306085 499207562 /nfs/dbraw/zinc/20/75/62/499207562.db2.gz RVPCFMIIMQQRSW-PZJWPPBQSA-N 2 2 351.498 3.197 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccccc2C#N)[C@@H]1c1cnn(C)c1 ZINC000370306085 499207563 /nfs/dbraw/zinc/20/75/63/499207563.db2.gz RVPCFMIIMQQRSW-PZJWPPBQSA-N 2 2 351.498 3.197 20 30 FGEDLP N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]Cc2ccccc2Cn2cc[nH+]c2)O1 ZINC000378455418 499518866 /nfs/dbraw/zinc/51/88/66/499518866.db2.gz MWRYGNRNLXRCSA-NCYKPQTJSA-N 2 2 350.466 3.261 20 30 FGEDLP C=CCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000375788343 499555943 /nfs/dbraw/zinc/55/59/43/499555943.db2.gz AAPUCFGYPOWEIJ-NQIIRXRSSA-N 2 2 354.498 3.158 20 30 FGEDLP C=CCOc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000375788343 499555944 /nfs/dbraw/zinc/55/59/44/499555944.db2.gz AAPUCFGYPOWEIJ-NQIIRXRSSA-N 2 2 354.498 3.158 20 30 FGEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000377889927 499745653 /nfs/dbraw/zinc/74/56/53/499745653.db2.gz RAONILQSOIATNE-SFHVURJKSA-N 2 2 360.465 3.187 20 30 FGEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000377889927 499745654 /nfs/dbraw/zinc/74/56/54/499745654.db2.gz RAONILQSOIATNE-SFHVURJKSA-N 2 2 360.465 3.187 20 30 FGEDLP C[C@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000423567754 500385276 /nfs/dbraw/zinc/38/52/76/500385276.db2.gz MGZGBMYHNNDUHZ-KRWDZBQOSA-N 3 2 366.484 3.341 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)C(C)C ZINC000457754692 501301879 /nfs/dbraw/zinc/30/18/79/501301879.db2.gz RQOJTGJDLZRGJL-ZWKOTPCHSA-N 2 2 373.545 3.211 20 30 FGEDLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000482145942 501989068 /nfs/dbraw/zinc/98/90/68/501989068.db2.gz PFZJNULUJIVWNW-AEFFLSMTSA-N 2 2 360.502 3.197 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C(C)C ZINC000476026703 502362021 /nfs/dbraw/zinc/36/20/21/502362021.db2.gz CGOJLBNNDCGDJB-XLIONFOSSA-N 2 2 372.557 3.453 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C(C)C ZINC000476026703 502362026 /nfs/dbraw/zinc/36/20/26/502362026.db2.gz CGOJLBNNDCGDJB-XLIONFOSSA-N 2 2 372.557 3.453 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+](C)[C@H](C)C[NH3+])cc1OCC ZINC000469998570 502625557 /nfs/dbraw/zinc/62/55/57/502625557.db2.gz FUVHKAJPFGJVCN-GFCCVEGCSA-N 2 2 357.292 3.192 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+](C)[C@H](C)C[NH3+])cc1OCC ZINC000469998570 502625560 /nfs/dbraw/zinc/62/55/60/502625560.db2.gz FUVHKAJPFGJVCN-GFCCVEGCSA-N 2 2 357.292 3.192 20 30 FGEDLP CN1C[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)Cc2ccccc21 ZINC000463289884 502746655 /nfs/dbraw/zinc/74/66/55/502746655.db2.gz QOMJOQJGLHUHEN-NRFANRHFSA-N 2 2 374.532 3.421 20 30 FGEDLP N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000492788061 503385373 /nfs/dbraw/zinc/38/53/73/503385373.db2.gz HLRBJBACEWZHKP-MRXNPFEDSA-N 2 2 358.239 3.369 20 30 FGEDLP N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000492788061 503385377 /nfs/dbraw/zinc/38/53/77/503385377.db2.gz HLRBJBACEWZHKP-MRXNPFEDSA-N 2 2 358.239 3.369 20 30 FGEDLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C#N)cc1F ZINC000512637508 503600435 /nfs/dbraw/zinc/60/04/35/503600435.db2.gz WNJQWLGRMMFLCJ-INIZCTEOSA-N 2 2 353.441 3.380 20 30 FGEDLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@H](C)O1 ZINC000517629766 503789469 /nfs/dbraw/zinc/78/94/69/503789469.db2.gz BWRRCXARYFZYMZ-OKILXGFUSA-N 2 2 355.404 3.166 20 30 FGEDLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)CC1 ZINC000533449054 503850941 /nfs/dbraw/zinc/85/09/41/503850941.db2.gz DWOSXHRQRYBFON-UHFFFAOYSA-N 2 2 366.484 3.125 20 30 FGEDLP Cc1c(Cl)cnc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C#N ZINC000612085586 506426643 /nfs/dbraw/zinc/42/66/43/506426643.db2.gz ACOSZJBYSSTAPB-UHFFFAOYSA-N 2 2 361.921 3.277 20 30 FGEDLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593324126 506541792 /nfs/dbraw/zinc/54/17/92/506541792.db2.gz YFQRYYYNWQOLJI-GCJKJVERSA-N 3 2 354.542 3.423 20 30 FGEDLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593324118 506541924 /nfs/dbraw/zinc/54/19/24/506541924.db2.gz YFQRYYYNWQOLJI-AVRDEDQJSA-N 3 2 354.542 3.423 20 30 FGEDLP C[NH+](C)CCN(Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccc(C#N)cc1 ZINC000583111242 506593852 /nfs/dbraw/zinc/59/38/52/506593852.db2.gz NGHORRYRXOCPHX-UHFFFAOYSA-N 2 2 365.506 3.369 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000593688263 506731039 /nfs/dbraw/zinc/73/10/39/506731039.db2.gz NLWFYKALEDWQMZ-UHFFFAOYSA-N 2 2 363.461 3.084 20 30 FGEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1(C(=O)OC)CCC1 ZINC000593720578 506746610 /nfs/dbraw/zinc/74/66/10/506746610.db2.gz HWZOYPVYVHGTLC-FQEVSTJZSA-N 2 2 369.509 3.234 20 30 FGEDLP CC(C)[C@H](Cn1cccn1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593726364 506749877 /nfs/dbraw/zinc/74/98/77/506749877.db2.gz YZFCOGRHKJAWPS-NRFANRHFSA-N 2 2 351.498 3.034 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000594518518 507167883 /nfs/dbraw/zinc/16/78/83/507167883.db2.gz HFROKPQRPVMMRD-FGZHOGPDSA-N 2 2 352.526 3.129 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000594518518 507167887 /nfs/dbraw/zinc/16/78/87/507167887.db2.gz HFROKPQRPVMMRD-FGZHOGPDSA-N 2 2 352.526 3.129 20 30 FGEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3c(C#N)cnc4c(Cl)cccc43)C2)CC1 ZINC000591911866 507406449 /nfs/dbraw/zinc/40/64/49/507406449.db2.gz MHRPEOQSGHVKAZ-HNNXBMFYSA-N 2 2 369.900 3.340 20 30 FGEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3c(C#N)cnc4c(Cl)cccc43)C2)CC1 ZINC000591911866 507406454 /nfs/dbraw/zinc/40/64/54/507406454.db2.gz MHRPEOQSGHVKAZ-HNNXBMFYSA-N 2 2 369.900 3.340 20 30 FGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000602517245 507735106 /nfs/dbraw/zinc/73/51/06/507735106.db2.gz DBBPQFDRROQGNN-QGZVFWFLSA-N 2 2 359.489 3.479 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Br)cc(OC)c2O)CC1 ZINC000106245188 700507545 /nfs/dbraw/zinc/50/75/45/700507545.db2.gz ZDNVZODGTABIAG-UHFFFAOYSA-N 2 2 369.303 3.293 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000751942224 722836582 /nfs/dbraw/zinc/83/65/82/722836582.db2.gz QIJVRRQMRKRGIR-IAGOWNOFSA-N 2 2 363.575 3.316 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1=S ZINC000751942224 722836585 /nfs/dbraw/zinc/83/65/85/722836585.db2.gz QIJVRRQMRKRGIR-IAGOWNOFSA-N 2 2 363.575 3.316 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788247346 725052740 /nfs/dbraw/zinc/05/27/40/725052740.db2.gz HQQAAEDRLZJUPQ-ROUUACIJSA-N 2 2 351.535 3.452 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)CC1 ZINC000819022547 727339322 /nfs/dbraw/zinc/33/93/22/727339322.db2.gz QVSLNNFVKDVNFJ-QGZVFWFLSA-N 2 2 371.294 3.036 20 30 FGEDLP N#Cc1cnc(Cl)c(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000877007645 736174511 /nfs/dbraw/zinc/17/45/11/736174511.db2.gz ZKEZJMBNWHPZJH-QGZVFWFLSA-N 2 2 354.885 3.261 20 30 FGEDLP N#Cc1cnc(Cl)c(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000877007645 736174514 /nfs/dbraw/zinc/17/45/14/736174514.db2.gz ZKEZJMBNWHPZJH-QGZVFWFLSA-N 2 2 354.885 3.261 20 30 FGEDLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1-c1ccccc1 ZINC000576687875 505571093 /nfs/dbraw/zinc/57/10/93/505571093.db2.gz TXTARCFICNUYTJ-HXUWFJFHSA-N 2 2 359.433 3.101 20 30 FGEDLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1-c1ccccc1 ZINC000576687875 505571095 /nfs/dbraw/zinc/57/10/95/505571095.db2.gz TXTARCFICNUYTJ-HXUWFJFHSA-N 2 2 359.433 3.101 20 30 FGEDLP N#Cc1ccc(CN2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000057592984 493775417 /nfs/dbraw/zinc/77/54/17/493775417.db2.gz JPNNTNNFGDWFMC-UHFFFAOYSA-N 2 2 357.461 3.062 20 30 FGEDLP C#CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000116384208 494770889 /nfs/dbraw/zinc/77/08/89/494770889.db2.gz INFIAYZFRHQGIV-CVDCTZTESA-N 2 2 363.505 3.484 20 30 FGEDLP C#CCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000116384208 494770895 /nfs/dbraw/zinc/77/08/95/494770895.db2.gz INFIAYZFRHQGIV-CVDCTZTESA-N 2 2 363.505 3.484 20 30 FGEDLP CC[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160061894 495875736 /nfs/dbraw/zinc/87/57/36/495875736.db2.gz LRKGDOVMQOIKBU-CVEARBPZSA-N 2 2 372.517 3.217 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000177904738 496246112 /nfs/dbraw/zinc/24/61/12/496246112.db2.gz HSCZGKNPLJMLDH-UHFFFAOYSA-N 2 2 361.917 3.185 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181074688 496261069 /nfs/dbraw/zinc/26/10/69/496261069.db2.gz VNZNZSGYHHZSOC-INIZCTEOSA-N 2 2 371.510 3.238 20 30 FGEDLP C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181074688 496261072 /nfs/dbraw/zinc/26/10/72/496261072.db2.gz VNZNZSGYHHZSOC-INIZCTEOSA-N 2 2 371.510 3.238 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000181404066 496381075 /nfs/dbraw/zinc/38/10/75/496381075.db2.gz RDMWDQRFBAARIS-UHFFFAOYSA-N 2 2 363.461 3.084 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cnn(-c4ccccc4)c3)CC2)cc1 ZINC000181453211 496402966 /nfs/dbraw/zinc/40/29/66/496402966.db2.gz MSCIGHQOSWWGAV-UHFFFAOYSA-N 2 2 371.488 3.498 20 30 FGEDLP COc1ccc(O)c(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181965771 496614958 /nfs/dbraw/zinc/61/49/58/496614958.db2.gz OUXJITWAQSROBB-UHFFFAOYSA-N 2 2 351.450 3.027 20 30 FGEDLP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1C#N ZINC000191510357 496790849 /nfs/dbraw/zinc/79/08/49/496790849.db2.gz GRUMPKSMFXOFAK-HNAYVOBHSA-N 2 2 360.864 3.472 20 30 FGEDLP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1C#N ZINC000191510357 496790852 /nfs/dbraw/zinc/79/08/52/496790852.db2.gz GRUMPKSMFXOFAK-HNAYVOBHSA-N 2 2 360.864 3.472 20 30 FGEDLP Cc1ccc(C[C@@H](CO)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000191585467 496822086 /nfs/dbraw/zinc/82/20/86/496822086.db2.gz LXDZMPALSXTCEN-QHCPKHFHSA-N 2 2 363.505 3.024 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 ZINC000236664046 497129240 /nfs/dbraw/zinc/12/92/40/497129240.db2.gz PRTRHCOPMVIVCB-UHFFFAOYSA-N 2 2 357.479 3.279 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOCC(F)(F)C(F)F)CC2)cc1 ZINC000278574907 497157322 /nfs/dbraw/zinc/15/73/22/497157322.db2.gz XSBSGGBDBSIULE-UHFFFAOYSA-N 2 2 373.394 3.029 20 30 FGEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000245437748 497405154 /nfs/dbraw/zinc/40/51/54/497405154.db2.gz RSMUXODUNBTBPF-FPOVZHCZSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000245437748 497405159 /nfs/dbraw/zinc/40/51/59/497405159.db2.gz RSMUXODUNBTBPF-FPOVZHCZSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000245437748 497405166 /nfs/dbraw/zinc/40/51/66/497405166.db2.gz RSMUXODUNBTBPF-FPOVZHCZSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000245437748 497405168 /nfs/dbraw/zinc/40/51/68/497405168.db2.gz RSMUXODUNBTBPF-FPOVZHCZSA-N 2 2 370.541 3.212 20 30 FGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](O)c1cccc(F)c1 ZINC000271845481 497468547 /nfs/dbraw/zinc/46/85/47/497468547.db2.gz HNHUEDBWBNXSIV-OPAMFIHVSA-N 2 2 367.468 3.373 20 30 FGEDLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C#N)c(F)c1 ZINC000272162846 497552316 /nfs/dbraw/zinc/55/23/16/497552316.db2.gz BXXZSICPUOJPQJ-RDTXWAMCSA-N 2 2 353.445 3.406 20 30 FGEDLP N#Cc1ccc2ncc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)n2c1 ZINC000581197053 505931811 /nfs/dbraw/zinc/93/18/11/505931811.db2.gz PMACZHFNCOHVSQ-SFTDATJTSA-N 2 2 371.488 3.160 20 30 FGEDLP N#Cc1ccc2ncc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)n2c1 ZINC000581197053 505931814 /nfs/dbraw/zinc/93/18/14/505931814.db2.gz PMACZHFNCOHVSQ-SFTDATJTSA-N 2 2 371.488 3.160 20 30 FGEDLP N#Cc1ccc2ncc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)n2c1 ZINC000581197053 505931820 /nfs/dbraw/zinc/93/18/20/505931820.db2.gz PMACZHFNCOHVSQ-SFTDATJTSA-N 2 2 371.488 3.160 20 30 FGEDLP N#Cc1ccc2ncc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)n2c1 ZINC000581197053 505931822 /nfs/dbraw/zinc/93/18/22/505931822.db2.gz PMACZHFNCOHVSQ-SFTDATJTSA-N 2 2 371.488 3.160 20 30 FGEDLP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330004455 497986847 /nfs/dbraw/zinc/98/68/47/497986847.db2.gz CPQKYAPHOGAXIN-UHFFFAOYSA-N 2 2 359.518 3.300 20 30 FGEDLP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330037384 497999085 /nfs/dbraw/zinc/99/90/85/497999085.db2.gz ZBXSQTVYDHSOMF-INIZCTEOSA-N 2 2 359.518 3.300 20 30 FGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000330248564 498079046 /nfs/dbraw/zinc/07/90/46/498079046.db2.gz GEONPWVEWMGRTL-MSOLQXFVSA-N 2 2 361.534 3.464 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3COc4ccccc4C3)CC2)cc1 ZINC000362040786 498457196 /nfs/dbraw/zinc/45/71/96/498457196.db2.gz QIKQDFSVBRUYDU-HXUWFJFHSA-N 2 2 361.489 3.364 20 30 FGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000332900721 498829094 /nfs/dbraw/zinc/82/90/94/498829094.db2.gz KZQJWLAOTDJSJZ-HSALFYBXSA-N 2 2 374.573 3.304 20 30 FGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000332900721 498829102 /nfs/dbraw/zinc/82/91/02/498829102.db2.gz KZQJWLAOTDJSJZ-HSALFYBXSA-N 2 2 374.573 3.304 20 30 FGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000332900721 498829108 /nfs/dbraw/zinc/82/91/08/498829108.db2.gz KZQJWLAOTDJSJZ-HSALFYBXSA-N 2 2 374.573 3.304 20 30 FGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000332900721 498829113 /nfs/dbraw/zinc/82/91/13/498829113.db2.gz KZQJWLAOTDJSJZ-HSALFYBXSA-N 2 2 374.573 3.304 20 30 FGEDLP N#Cc1ccccc1Cn1cccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000372686687 499161168 /nfs/dbraw/zinc/16/11/68/499161168.db2.gz YLPBZQNORLPNCI-UHFFFAOYSA-N 2 2 368.444 3.279 20 30 FGEDLP N#Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2c1 ZINC000370140278 499186784 /nfs/dbraw/zinc/18/67/84/499186784.db2.gz LMOBGLZLGJAHOF-QGZVFWFLSA-N 2 2 360.465 3.118 20 30 FGEDLP N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](c4[nH+]cc5n4CCCC5)C3)n2c1 ZINC000370140278 499186786 /nfs/dbraw/zinc/18/67/86/499186786.db2.gz LMOBGLZLGJAHOF-QGZVFWFLSA-N 2 2 360.465 3.118 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000370410571 499218144 /nfs/dbraw/zinc/21/81/44/499218144.db2.gz PSAFCXZJVNSFMM-AGHHOFFYSA-N 2 2 364.493 3.497 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000370410571 499218145 /nfs/dbraw/zinc/21/81/45/499218145.db2.gz PSAFCXZJVNSFMM-AGHHOFFYSA-N 2 2 364.493 3.497 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000370410571 499218146 /nfs/dbraw/zinc/21/81/46/499218146.db2.gz PSAFCXZJVNSFMM-AGHHOFFYSA-N 2 2 364.493 3.497 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000370410571 499218147 /nfs/dbraw/zinc/21/81/47/499218147.db2.gz PSAFCXZJVNSFMM-AGHHOFFYSA-N 2 2 364.493 3.497 20 30 FGEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000373099647 499451306 /nfs/dbraw/zinc/45/13/06/499451306.db2.gz OBDKFRWOUDSVPA-OAHLLOKOSA-N 2 2 371.872 3.153 20 30 FGEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000373099647 499451307 /nfs/dbraw/zinc/45/13/07/499451307.db2.gz OBDKFRWOUDSVPA-OAHLLOKOSA-N 2 2 371.872 3.153 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1OC ZINC000415071964 499860582 /nfs/dbraw/zinc/86/05/82/499860582.db2.gz UXQIHICBRAOGTI-CQSZACIVSA-N 2 2 369.303 3.254 20 30 FGEDLP COc1ccc([C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422992055 500328237 /nfs/dbraw/zinc/32/82/37/500328237.db2.gz QNJOWLBZPDUFMV-RTWAWAEBSA-N 2 2 351.450 3.029 20 30 FGEDLP N#Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000573566438 506212630 /nfs/dbraw/zinc/21/26/30/506212630.db2.gz AVLJBXQXYPDBIP-BGYRXZFFSA-N 2 2 362.433 3.030 20 30 FGEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000573566438 506212632 /nfs/dbraw/zinc/21/26/32/506212632.db2.gz AVLJBXQXYPDBIP-BGYRXZFFSA-N 2 2 362.433 3.030 20 30 FGEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000573566438 506212634 /nfs/dbraw/zinc/21/26/34/506212634.db2.gz AVLJBXQXYPDBIP-BGYRXZFFSA-N 2 2 362.433 3.030 20 30 FGEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000573566438 506212635 /nfs/dbraw/zinc/21/26/35/506212635.db2.gz AVLJBXQXYPDBIP-BGYRXZFFSA-N 2 2 362.433 3.030 20 30 FGEDLP C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000439437040 500897199 /nfs/dbraw/zinc/89/71/99/500897199.db2.gz JRLBHYADZOAPBH-OAQYLSRUSA-N 2 2 369.896 3.280 20 30 FGEDLP C[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000439437040 500897200 /nfs/dbraw/zinc/89/72/00/500897200.db2.gz JRLBHYADZOAPBH-OAQYLSRUSA-N 2 2 369.896 3.280 20 30 FGEDLP C[NH+](Cc1ccc(C#N)cc1Cl)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000439437040 500897204 /nfs/dbraw/zinc/89/72/04/500897204.db2.gz JRLBHYADZOAPBH-OAQYLSRUSA-N 2 2 369.896 3.280 20 30 FGEDLP C[NH+](Cc1ccc(C#N)cc1Cl)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000439437040 500897206 /nfs/dbraw/zinc/89/72/06/500897206.db2.gz JRLBHYADZOAPBH-OAQYLSRUSA-N 2 2 369.896 3.280 20 30 FGEDLP C=CC(C)(C)CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000458988004 501572118 /nfs/dbraw/zinc/57/21/18/501572118.db2.gz NNKNGZUCPXNOSQ-MOPGFXCFSA-N 2 2 364.578 3.177 20 30 FGEDLP C=CC(C)(C)CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000458988004 501572121 /nfs/dbraw/zinc/57/21/21/501572121.db2.gz NNKNGZUCPXNOSQ-MOPGFXCFSA-N 2 2 364.578 3.177 20 30 FGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000602703707 506267763 /nfs/dbraw/zinc/26/77/63/506267763.db2.gz BPZIGZRAKFTYEW-SFHVURJKSA-N 2 2 366.509 3.211 20 30 FGEDLP C=CCn1cccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000488790377 502810292 /nfs/dbraw/zinc/81/02/92/502810292.db2.gz WNVXPGZASXVBIY-UXHICEINSA-N 2 2 372.557 3.083 20 30 FGEDLP C=CCn1cccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000488790377 502810294 /nfs/dbraw/zinc/81/02/94/502810294.db2.gz WNVXPGZASXVBIY-UXHICEINSA-N 2 2 372.557 3.083 20 30 FGEDLP Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C#N)c1C ZINC000532949795 503672133 /nfs/dbraw/zinc/67/21/33/503672133.db2.gz HWTRKSPUXAQDJF-HNNXBMFYSA-N 2 2 360.502 3.147 20 30 FGEDLP Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C#N)c1C ZINC000532949795 503672137 /nfs/dbraw/zinc/67/21/37/503672137.db2.gz HWTRKSPUXAQDJF-HNNXBMFYSA-N 2 2 360.502 3.147 20 30 FGEDLP C=C(C)COc1cc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)ccc1OC ZINC000529665476 504755630 /nfs/dbraw/zinc/75/56/30/504755630.db2.gz YIHJEAFWVOVMMF-UHFFFAOYSA-N 2 2 374.525 3.337 20 30 FGEDLP C=CCC[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccco1 ZINC000560527909 505115859 /nfs/dbraw/zinc/11/58/59/505115859.db2.gz GRYDXOOWEUIDDF-HXUWFJFHSA-N 3 2 354.498 3.484 20 30 FGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000590003963 506702698 /nfs/dbraw/zinc/70/26/98/506702698.db2.gz XOWIVVIWISEQIG-HXUWFJFHSA-N 2 2 359.433 3.101 20 30 FGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000590003963 506702704 /nfs/dbraw/zinc/70/27/04/506702704.db2.gz XOWIVVIWISEQIG-HXUWFJFHSA-N 2 2 359.433 3.101 20 30 FGEDLP CCOC(=O)C1CCC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593704008 506741677 /nfs/dbraw/zinc/74/16/77/506741677.db2.gz YFDPHGPTTPJSKV-UHFFFAOYSA-N 2 2 369.509 3.234 20 30 FGEDLP CC(=O)Nc1cccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000601130052 507271401 /nfs/dbraw/zinc/27/14/01/507271401.db2.gz DDSWFIAMCKTFBC-UHFFFAOYSA-N 2 2 362.477 3.271 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)c1 ZINC000601285237 507321510 /nfs/dbraw/zinc/32/15/10/507321510.db2.gz QMTNLECSEKEKLN-FKBYEOEOSA-N 2 2 365.521 3.460 20 30 FGEDLP Cn1ncc(C2CCC2)c1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000594947906 507326020 /nfs/dbraw/zinc/32/60/20/507326020.db2.gz IVZPJISUDZGLPC-UHFFFAOYSA-N 2 2 363.509 3.313 20 30 FGEDLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000595001008 507348193 /nfs/dbraw/zinc/34/81/93/507348193.db2.gz OSWJCLOQKUOGAS-WZONZLPQSA-N 2 2 363.505 3.277 20 30 FGEDLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602492294 507726009 /nfs/dbraw/zinc/72/60/09/507726009.db2.gz GEGVYJXEIXQJGX-SFHVURJKSA-N 2 2 356.514 3.258 20 30 FGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000602517244 507734315 /nfs/dbraw/zinc/73/43/15/507734315.db2.gz DBBPQFDRROQGNN-KRWDZBQOSA-N 2 2 359.489 3.479 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CC[C@@H](CC)C2)c1=S ZINC000119509423 700631299 /nfs/dbraw/zinc/63/12/99/700631299.db2.gz LNFUQWQVSCWUKX-QGZVFWFLSA-N 2 2 363.575 3.318 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CC[C@@H](CC)C2)c1=S ZINC000119509423 700631300 /nfs/dbraw/zinc/63/13/00/700631300.db2.gz LNFUQWQVSCWUKX-QGZVFWFLSA-N 2 2 363.575 3.318 20 30 FGEDLP C#CCOc1ccc(Br)cc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000236818919 713584094 /nfs/dbraw/zinc/58/40/94/713584094.db2.gz QEAWVCMHNUIMSP-UHFFFAOYSA-N 2 2 365.315 3.424 20 30 FGEDLP COc1ccc(NC(=[NH2+])NCc2ccccc2-n2cc[nH+]c2)cc1Cl ZINC000303870716 713789233 /nfs/dbraw/zinc/78/92/33/713789233.db2.gz FKXURFUZMMDRIM-UHFFFAOYSA-N 2 2 355.829 3.461 20 30 FGEDLP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(CC#N)cc[nH+]1)CC2 ZINC001164795715 721497638 /nfs/dbraw/zinc/49/76/38/721497638.db2.gz KIIIGZBCJMGCGJ-UHFFFAOYSA-N 2 2 361.493 3.424 20 30 FGEDLP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(CC#N)cc[nH+]1)CC2 ZINC001164795715 721497639 /nfs/dbraw/zinc/49/76/39/721497639.db2.gz KIIIGZBCJMGCGJ-UHFFFAOYSA-N 2 2 361.493 3.424 20 30 FGEDLP C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755777430 722956820 /nfs/dbraw/zinc/95/68/20/722956820.db2.gz GGAIHZPFRCXZAB-QGZVFWFLSA-N 2 2 361.559 3.099 20 30 FGEDLP C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=S ZINC000755777430 722956821 /nfs/dbraw/zinc/95/68/21/722956821.db2.gz GGAIHZPFRCXZAB-QGZVFWFLSA-N 2 2 361.559 3.099 20 30 FGEDLP C#CC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000775973461 724091947 /nfs/dbraw/zinc/09/19/47/724091947.db2.gz SFEMTNLRDFANEU-QGZVFWFLSA-N 2 2 374.282 3.495 20 30 FGEDLP C#CC[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000775973461 724091953 /nfs/dbraw/zinc/09/19/53/724091953.db2.gz SFEMTNLRDFANEU-QGZVFWFLSA-N 2 2 374.282 3.495 20 30 FGEDLP N#Cc1ccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c(F)c1 ZINC000101558436 495077478 /nfs/dbraw/zinc/07/74/78/495077478.db2.gz YTOGWDBWXMPLCD-UHFFFAOYSA-N 2 2 361.424 3.205 20 30 FGEDLP CCC[NH+]1CCC([NH+]2CCN(CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000129845106 495304132 /nfs/dbraw/zinc/30/41/32/495304132.db2.gz MXZFKCKQECGAGM-UHFFFAOYSA-N 2 2 359.945 3.184 20 30 FGEDLP CCC[NH+]1CCC(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000129845106 495304135 /nfs/dbraw/zinc/30/41/35/495304135.db2.gz MXZFKCKQECGAGM-UHFFFAOYSA-N 2 2 359.945 3.184 20 30 FGEDLP C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695298 495683775 /nfs/dbraw/zinc/68/37/75/495683775.db2.gz XKRIJECOPRWVME-QAPCUYQASA-N 2 2 365.481 3.351 20 30 FGEDLP C[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695298 495683785 /nfs/dbraw/zinc/68/37/85/495683785.db2.gz XKRIJECOPRWVME-QAPCUYQASA-N 2 2 365.481 3.351 20 30 FGEDLP Cc1cc(N2CCC([N@H+](C)Cc3cc(F)ccc3C#N)CC2)nc(C)[nH+]1 ZINC000160536220 495985459 /nfs/dbraw/zinc/98/54/59/495985459.db2.gz XUADUQQBKUCKMU-UHFFFAOYSA-N 2 2 353.445 3.205 20 30 FGEDLP Cc1cc(N2CCC([N@@H+](C)Cc3cc(F)ccc3C#N)CC2)nc(C)[nH+]1 ZINC000160536220 495985463 /nfs/dbraw/zinc/98/54/63/495985463.db2.gz XUADUQQBKUCKMU-UHFFFAOYSA-N 2 2 353.445 3.205 20 30 FGEDLP CN(c1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1)C1CC[NH+](C)CC1 ZINC000156991135 496379580 /nfs/dbraw/zinc/37/95/80/496379580.db2.gz MFCSWAOVZCBEQA-UHFFFAOYSA-N 2 2 374.492 3.348 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157009605 496384917 /nfs/dbraw/zinc/38/49/17/496384917.db2.gz YGKFVHPPLYFVMD-PZJWPPBQSA-N 2 2 355.526 3.172 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157009605 496384922 /nfs/dbraw/zinc/38/49/22/496384922.db2.gz YGKFVHPPLYFVMD-PZJWPPBQSA-N 2 2 355.526 3.172 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157009605 496384928 /nfs/dbraw/zinc/38/49/28/496384928.db2.gz YGKFVHPPLYFVMD-PZJWPPBQSA-N 2 2 355.526 3.172 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157009605 496384933 /nfs/dbraw/zinc/38/49/33/496384933.db2.gz YGKFVHPPLYFVMD-PZJWPPBQSA-N 2 2 355.526 3.172 20 30 FGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)Nc1ccccc1 ZINC000181950610 496610431 /nfs/dbraw/zinc/61/04/31/496610431.db2.gz MKQJFDNCWJJZHL-QGZVFWFLSA-N 2 2 362.477 3.139 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265544859 497136989 /nfs/dbraw/zinc/13/69/89/497136989.db2.gz XLKJEWXMCNODSG-GFCCVEGCSA-N 2 2 357.845 3.141 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266953194 497455119 /nfs/dbraw/zinc/45/51/19/497455119.db2.gz VAJYUQRTLSELCJ-QZTJIDSGSA-N 2 2 365.481 3.233 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000266953194 497455125 /nfs/dbraw/zinc/45/51/25/497455125.db2.gz VAJYUQRTLSELCJ-QZTJIDSGSA-N 2 2 365.481 3.233 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267406044 497544289 /nfs/dbraw/zinc/54/42/89/497544289.db2.gz GWZDOYHEOIBCOF-HZPDHXFCSA-N 2 2 358.511 3.254 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267406044 497544296 /nfs/dbraw/zinc/54/42/96/497544296.db2.gz GWZDOYHEOIBCOF-HZPDHXFCSA-N 2 2 358.511 3.254 20 30 FGEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C#N)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000365242302 498369373 /nfs/dbraw/zinc/36/93/73/498369373.db2.gz OGXVVWGZLOJNMQ-GHTZIAJQSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C#N)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000365242302 498369376 /nfs/dbraw/zinc/36/93/76/498369376.db2.gz OGXVVWGZLOJNMQ-GHTZIAJQSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(C#N)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000365242302 498369382 /nfs/dbraw/zinc/36/93/82/498369382.db2.gz OGXVVWGZLOJNMQ-GHTZIAJQSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(C#N)c(F)c2)[C@@H]1c1cnn(C)c1 ZINC000365242302 498369387 /nfs/dbraw/zinc/36/93/87/498369387.db2.gz OGXVVWGZLOJNMQ-GHTZIAJQSA-N 2 2 369.488 3.336 20 30 FGEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C#N)s2)[C@@H]1c1cnn(C)c1 ZINC000328640208 498885618 /nfs/dbraw/zinc/88/56/18/498885618.db2.gz PVTUAWFTGLFMKK-HNAYVOBHSA-N 2 2 357.527 3.258 20 30 FGEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C#N)s2)[C@@H]1c1cnn(C)c1 ZINC000328640208 498885623 /nfs/dbraw/zinc/88/56/23/498885623.db2.gz PVTUAWFTGLFMKK-HNAYVOBHSA-N 2 2 357.527 3.258 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(C#N)s2)[C@@H]1c1cnn(C)c1 ZINC000328640208 498885628 /nfs/dbraw/zinc/88/56/28/498885628.db2.gz PVTUAWFTGLFMKK-HNAYVOBHSA-N 2 2 357.527 3.258 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(C#N)s2)[C@@H]1c1cnn(C)c1 ZINC000328640208 498885631 /nfs/dbraw/zinc/88/56/31/498885631.db2.gz PVTUAWFTGLFMKK-HNAYVOBHSA-N 2 2 357.527 3.258 20 30 FGEDLP CN(C(=O)c1ccc(C#N)s1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000328869500 498967282 /nfs/dbraw/zinc/96/72/82/498967282.db2.gz XRWSOKFLNLLBKF-ZWKOTPCHSA-N 2 2 374.554 3.029 20 30 FGEDLP CN(C(=O)c1ccc(C#N)s1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000328869500 498967287 /nfs/dbraw/zinc/96/72/87/498967287.db2.gz XRWSOKFLNLLBKF-ZWKOTPCHSA-N 2 2 374.554 3.029 20 30 FGEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)CCC2 ZINC000328878929 498971085 /nfs/dbraw/zinc/97/10/85/498971085.db2.gz JLYIFGSTWZEUCK-IPMKNSEASA-N 2 2 367.497 3.018 20 30 FGEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)CCC2 ZINC000328878929 498971092 /nfs/dbraw/zinc/97/10/92/498971092.db2.gz JLYIFGSTWZEUCK-IPMKNSEASA-N 2 2 367.497 3.018 20 30 FGEDLP C[N@H+](CCCOc1cccc(C#N)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372528097 499140304 /nfs/dbraw/zinc/14/03/04/499140304.db2.gz WUWXRQHZNZSXDM-UNMCSNQZSA-N 2 2 364.493 3.347 20 30 FGEDLP C[N@@H+](CCCOc1cccc(C#N)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372528097 499140306 /nfs/dbraw/zinc/14/03/06/499140306.db2.gz WUWXRQHZNZSXDM-UNMCSNQZSA-N 2 2 364.493 3.347 20 30 FGEDLP C[NH+](CCCOc1cccc(C#N)c1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372528097 499140309 /nfs/dbraw/zinc/14/03/09/499140309.db2.gz WUWXRQHZNZSXDM-UNMCSNQZSA-N 2 2 364.493 3.347 20 30 FGEDLP C[NH+](CCCOc1cccc(C#N)c1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372528097 499140311 /nfs/dbraw/zinc/14/03/11/499140311.db2.gz WUWXRQHZNZSXDM-UNMCSNQZSA-N 2 2 364.493 3.347 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1OCC ZINC000414786893 499831003 /nfs/dbraw/zinc/83/10/03/499831003.db2.gz BROCWCWOOGQUEY-HNNXBMFYSA-N 2 2 371.319 3.486 20 30 FGEDLP CC[NH+](CC)CCOc1ccc(CNc2cc(C)[nH+]cc2C#N)cc1OC ZINC000425201512 500043184 /nfs/dbraw/zinc/04/31/84/500043184.db2.gz ALANUTODVVQVBB-UHFFFAOYSA-N 2 2 368.481 3.025 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000429538200 500096408 /nfs/dbraw/zinc/09/64/08/500096408.db2.gz GVLLOYNXXWBLRL-VQTJNVASSA-N 2 2 370.541 3.355 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000429538200 500096410 /nfs/dbraw/zinc/09/64/10/500096410.db2.gz GVLLOYNXXWBLRL-VQTJNVASSA-N 2 2 370.541 3.355 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431616265 500398766 /nfs/dbraw/zinc/39/87/66/500398766.db2.gz FBOXVDSSPLPLGX-WMZOPIPTSA-N 2 2 371.506 3.200 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431616265 500398768 /nfs/dbraw/zinc/39/87/68/500398768.db2.gz FBOXVDSSPLPLGX-WMZOPIPTSA-N 2 2 371.506 3.200 20 30 FGEDLP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000424171223 500463196 /nfs/dbraw/zinc/46/31/96/500463196.db2.gz KJACOLFJECYIJR-WFASDCNBSA-N 2 2 350.260 3.086 20 30 FGEDLP C=CCn1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000424290097 500481618 /nfs/dbraw/zinc/48/16/18/500481618.db2.gz BFEWFBMTSQZEFG-ILWGZMRPSA-N 2 2 365.525 3.245 20 30 FGEDLP C=CCn1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000424290097 500481620 /nfs/dbraw/zinc/48/16/20/500481620.db2.gz BFEWFBMTSQZEFG-ILWGZMRPSA-N 2 2 365.525 3.245 20 30 FGEDLP C=CCn1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC000424290099 500481785 /nfs/dbraw/zinc/48/17/85/500481785.db2.gz BFEWFBMTSQZEFG-KSEOMHKRSA-N 2 2 365.525 3.245 20 30 FGEDLP C=CCn1cc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC000424290099 500481786 /nfs/dbraw/zinc/48/17/86/500481786.db2.gz BFEWFBMTSQZEFG-KSEOMHKRSA-N 2 2 365.525 3.245 20 30 FGEDLP C=CCOc1cccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000428441793 500510888 /nfs/dbraw/zinc/51/08/88/500510888.db2.gz XNFGJMQZYQOEJI-HSZRJFAPSA-N 2 2 366.505 3.320 20 30 FGEDLP C=CCOc1cccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000428441793 500510890 /nfs/dbraw/zinc/51/08/90/500510890.db2.gz XNFGJMQZYQOEJI-HSZRJFAPSA-N 2 2 366.505 3.320 20 30 FGEDLP C=CCOc1cccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000428441793 500510891 /nfs/dbraw/zinc/51/08/91/500510891.db2.gz XNFGJMQZYQOEJI-HSZRJFAPSA-N 2 2 366.505 3.320 20 30 FGEDLP C=CCOc1cccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000428441793 500510892 /nfs/dbraw/zinc/51/08/92/500510892.db2.gz XNFGJMQZYQOEJI-HSZRJFAPSA-N 2 2 366.505 3.320 20 30 FGEDLP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449509650 501021459 /nfs/dbraw/zinc/02/14/59/501021459.db2.gz JJNHVBLHYFSUEB-RTWAWAEBSA-N 2 2 369.509 3.234 20 30 FGEDLP CC(C)[C@@H](CO)[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000449515543 501022675 /nfs/dbraw/zinc/02/26/75/501022675.db2.gz ZYZMBOHMABQSNP-FGZHOGPDSA-N 2 2 357.542 3.401 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441389744 501132183 /nfs/dbraw/zinc/13/21/83/501132183.db2.gz VPFHHHQSLWAFAV-CTNGQTDRSA-N 2 2 366.509 3.420 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464860725 502125898 /nfs/dbraw/zinc/12/58/98/502125898.db2.gz ZQTCEZGPQSBKAQ-TZIWHRDSSA-N 2 2 355.526 3.029 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464860725 502125903 /nfs/dbraw/zinc/12/59/03/502125903.db2.gz ZQTCEZGPQSBKAQ-TZIWHRDSSA-N 2 2 355.526 3.029 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464860725 502125907 /nfs/dbraw/zinc/12/59/07/502125907.db2.gz ZQTCEZGPQSBKAQ-TZIWHRDSSA-N 2 2 355.526 3.029 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464860725 502125911 /nfs/dbraw/zinc/12/59/11/502125911.db2.gz ZQTCEZGPQSBKAQ-TZIWHRDSSA-N 2 2 355.526 3.029 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483488464 502407391 /nfs/dbraw/zinc/40/73/91/502407391.db2.gz YHZKOBVDQTVLCN-FGZHOGPDSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483488464 502407394 /nfs/dbraw/zinc/40/73/94/502407394.db2.gz YHZKOBVDQTVLCN-FGZHOGPDSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483488464 502407398 /nfs/dbraw/zinc/40/73/98/502407398.db2.gz YHZKOBVDQTVLCN-FGZHOGPDSA-N 2 2 369.553 3.398 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483488464 502407402 /nfs/dbraw/zinc/40/74/02/502407402.db2.gz YHZKOBVDQTVLCN-FGZHOGPDSA-N 2 2 369.553 3.398 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000469848487 502567329 /nfs/dbraw/zinc/56/73/29/502567329.db2.gz KDXRLCODPHHIMZ-OCCSQVGLSA-N 2 2 369.303 3.192 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000469848487 502567331 /nfs/dbraw/zinc/56/73/31/502567331.db2.gz KDXRLCODPHHIMZ-OCCSQVGLSA-N 2 2 369.303 3.192 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](CO)CC3CCCC3)CC2)cc1 ZINC000463236593 502731979 /nfs/dbraw/zinc/73/19/79/502731979.db2.gz IIUXGGOXNTXQON-NRFANRHFSA-N 2 2 355.526 3.301 20 30 FGEDLP CC1(C)CCC[C@@](O)(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000463274487 502742166 /nfs/dbraw/zinc/74/21/66/502742166.db2.gz FNKHSHKNEYTBEB-QFIPXVFZSA-N 2 2 355.526 3.444 20 30 FGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000518015424 503889836 /nfs/dbraw/zinc/88/98/36/503889836.db2.gz QNEZSBIYTBXTDR-QHCPKHFHSA-N 2 2 360.505 3.347 20 30 FGEDLP COC(=O)c1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1C#N ZINC000558475698 505402673 /nfs/dbraw/zinc/40/26/73/505402673.db2.gz HKPBARYUPXPKLA-UHFFFAOYSA-N 2 2 365.433 3.092 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1cn2cc(C)ccc2[nH+]1)C(C)C ZINC000555860876 505528885 /nfs/dbraw/zinc/52/88/85/505528885.db2.gz QBNACIHFTQJRIY-LJQANCHMSA-N 2 2 369.513 3.141 20 30 FGEDLP Cc1cccc2c1OC[C@@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000589351554 506525364 /nfs/dbraw/zinc/52/53/64/506525364.db2.gz KCISOXXNZPKBGS-QFIPXVFZSA-N 2 2 361.489 3.424 20 30 FGEDLP Cc1nc2ccccn2c1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593692709 506734747 /nfs/dbraw/zinc/73/47/47/506734747.db2.gz INFTWQYQDOQPBI-UHFFFAOYSA-N 2 2 359.477 3.269 20 30 FGEDLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]1C ZINC000593692678 506734844 /nfs/dbraw/zinc/73/48/44/506734844.db2.gz ICJLLWOGNUMVIS-LRQRDZAKSA-N 2 2 369.509 3.090 20 30 FGEDLP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[C@H](C)O1 ZINC000591659661 507325473 /nfs/dbraw/zinc/32/54/73/507325473.db2.gz NHDUPOLVKGIXIU-IVCWUUCSSA-N 2 2 355.526 3.479 20 30 FGEDLP C[C@@H]1C[N@H+](CCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[C@H](C)O1 ZINC000591659661 507325478 /nfs/dbraw/zinc/32/54/78/507325478.db2.gz NHDUPOLVKGIXIU-IVCWUUCSSA-N 2 2 355.526 3.479 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901158 718385134 /nfs/dbraw/zinc/38/51/34/718385134.db2.gz JPZGDHOHAUFMLI-YQVWRLOYSA-N 2 2 361.555 3.115 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901158 718385137 /nfs/dbraw/zinc/38/51/37/718385137.db2.gz JPZGDHOHAUFMLI-YQVWRLOYSA-N 2 2 361.555 3.115 20 30 FGEDLP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000662798029 720459496 /nfs/dbraw/zinc/45/94/96/720459496.db2.gz PMNLICYMZSIWOB-YQVWRLOYSA-N 2 2 365.880 3.039 20 30 FGEDLP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000662798029 720459501 /nfs/dbraw/zinc/45/95/01/720459501.db2.gz PMNLICYMZSIWOB-YQVWRLOYSA-N 2 2 365.880 3.039 20 30 FGEDLP C#CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000766244300 723564352 /nfs/dbraw/zinc/56/43/52/723564352.db2.gz UAMJOSCYNCTOMC-MRXNPFEDSA-N 2 2 360.255 3.105 20 30 FGEDLP C#CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000766244300 723564354 /nfs/dbraw/zinc/56/43/54/723564354.db2.gz UAMJOSCYNCTOMC-MRXNPFEDSA-N 2 2 360.255 3.105 20 30 FGEDLP N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000080960221 493799771 /nfs/dbraw/zinc/79/97/71/493799771.db2.gz UOTUYVDWKAKSOW-ZDUSSCGKSA-N 2 2 369.494 3.040 20 30 FGEDLP N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000080960221 493799774 /nfs/dbraw/zinc/79/97/74/493799774.db2.gz UOTUYVDWKAKSOW-ZDUSSCGKSA-N 2 2 369.494 3.040 20 30 FGEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000112660338 495218672 /nfs/dbraw/zinc/21/86/72/495218672.db2.gz BEMBFKDBTWMBHQ-AZUAARDMSA-N 2 2 368.525 3.329 20 30 FGEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000112660338 495218676 /nfs/dbraw/zinc/21/86/76/495218676.db2.gz BEMBFKDBTWMBHQ-AZUAARDMSA-N 2 2 368.525 3.329 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129672751 495278944 /nfs/dbraw/zinc/27/89/44/495278944.db2.gz GJFOXJWEVBPMCC-LNLFQRSKSA-N 2 2 372.538 3.431 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129672751 495278946 /nfs/dbraw/zinc/27/89/46/495278946.db2.gz GJFOXJWEVBPMCC-LNLFQRSKSA-N 2 2 372.538 3.431 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3c(cc2Br)OCO3)CC1 ZINC000106245607 495440139 /nfs/dbraw/zinc/44/01/39/495440139.db2.gz SSJIZXCWMZZJSZ-UHFFFAOYSA-N 2 2 367.287 3.308 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157023330 496388226 /nfs/dbraw/zinc/38/82/26/496388226.db2.gz AVNFYRRCKFDVOX-TZIWHRDSSA-N 2 2 357.542 3.396 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157023330 496388232 /nfs/dbraw/zinc/38/82/32/496388232.db2.gz AVNFYRRCKFDVOX-TZIWHRDSSA-N 2 2 357.542 3.396 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157023330 496388237 /nfs/dbraw/zinc/38/82/37/496388237.db2.gz AVNFYRRCKFDVOX-TZIWHRDSSA-N 2 2 357.542 3.396 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157023330 496388242 /nfs/dbraw/zinc/38/82/42/496388242.db2.gz AVNFYRRCKFDVOX-TZIWHRDSSA-N 2 2 357.542 3.396 20 30 FGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](O)Cc1ccccc1 ZINC000182049242 496648969 /nfs/dbraw/zinc/64/89/69/496648969.db2.gz BVACAXAEZAKWLK-MBSDFSHPSA-N 2 2 363.505 3.104 20 30 FGEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000274834502 497177969 /nfs/dbraw/zinc/17/79/69/497177969.db2.gz NDMXTRHURPNOSK-MAUKXSAKSA-N 2 2 368.506 3.058 20 30 FGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000274834502 497177977 /nfs/dbraw/zinc/17/79/77/497177977.db2.gz NDMXTRHURPNOSK-MAUKXSAKSA-N 2 2 368.506 3.058 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261860613 497464344 /nfs/dbraw/zinc/46/43/44/497464344.db2.gz SEMVBZRZRACFTA-QGZVFWFLSA-N 2 2 369.303 3.193 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261860613 497464346 /nfs/dbraw/zinc/46/43/46/497464346.db2.gz SEMVBZRZRACFTA-QGZVFWFLSA-N 2 2 369.303 3.193 20 30 FGEDLP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000245716568 497513937 /nfs/dbraw/zinc/51/39/37/497513937.db2.gz UEZBIDCFYQTEPW-RDTXWAMCSA-N 2 2 371.872 3.320 20 30 FGEDLP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000245716568 497513938 /nfs/dbraw/zinc/51/39/38/497513938.db2.gz UEZBIDCFYQTEPW-RDTXWAMCSA-N 2 2 371.872 3.320 20 30 FGEDLP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000246296978 497687251 /nfs/dbraw/zinc/68/72/51/497687251.db2.gz IWGHLJNONLWOSJ-WOJBJXKFSA-N 2 2 369.509 3.251 20 30 FGEDLP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000246296978 497687253 /nfs/dbraw/zinc/68/72/53/497687253.db2.gz IWGHLJNONLWOSJ-WOJBJXKFSA-N 2 2 369.509 3.251 20 30 FGEDLP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000246296966 497687454 /nfs/dbraw/zinc/68/74/54/497687454.db2.gz IWGHLJNONLWOSJ-VQTJNVASSA-N 2 2 369.509 3.251 20 30 FGEDLP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000246296966 497687459 /nfs/dbraw/zinc/68/74/59/497687459.db2.gz IWGHLJNONLWOSJ-VQTJNVASSA-N 2 2 369.509 3.251 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246480603 497748772 /nfs/dbraw/zinc/74/87/72/497748772.db2.gz ADFDEEIIHUNZPP-IXDOHACOSA-N 2 2 374.554 3.291 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246480603 497748774 /nfs/dbraw/zinc/74/87/74/497748774.db2.gz ADFDEEIIHUNZPP-IXDOHACOSA-N 2 2 374.554 3.291 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246480603 497748777 /nfs/dbraw/zinc/74/87/77/497748777.db2.gz ADFDEEIIHUNZPP-IXDOHACOSA-N 2 2 374.554 3.291 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246480603 497748779 /nfs/dbraw/zinc/74/87/79/497748779.db2.gz ADFDEEIIHUNZPP-IXDOHACOSA-N 2 2 374.554 3.291 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC000272985063 497778774 /nfs/dbraw/zinc/77/87/74/497778774.db2.gz VQCNMVLYUJISFC-UHFFFAOYSA-N 2 2 350.816 3.222 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)CCc3ccccc3)CC2)cc1 ZINC000273136692 497803063 /nfs/dbraw/zinc/80/30/63/497803063.db2.gz CYZGPFAFFILLDX-QHCPKHFHSA-N 2 2 363.505 3.106 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246766005 497809197 /nfs/dbraw/zinc/80/91/97/497809197.db2.gz NXYCMJLHGZRNFC-ZACQAIPSSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246766005 497809198 /nfs/dbraw/zinc/80/91/98/497809198.db2.gz NXYCMJLHGZRNFC-ZACQAIPSSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246766005 497809199 /nfs/dbraw/zinc/80/91/99/497809199.db2.gz NXYCMJLHGZRNFC-ZACQAIPSSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246766005 497809200 /nfs/dbraw/zinc/80/92/00/497809200.db2.gz NXYCMJLHGZRNFC-ZACQAIPSSA-N 2 2 374.554 3.434 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246878762 497818315 /nfs/dbraw/zinc/81/83/15/497818315.db2.gz AVNFYRRCKFDVOX-PZJWPPBQSA-N 2 2 357.542 3.396 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246878762 497818316 /nfs/dbraw/zinc/81/83/16/497818316.db2.gz AVNFYRRCKFDVOX-PZJWPPBQSA-N 2 2 357.542 3.396 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246878762 497818317 /nfs/dbraw/zinc/81/83/17/497818317.db2.gz AVNFYRRCKFDVOX-PZJWPPBQSA-N 2 2 357.542 3.396 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246878762 497818318 /nfs/dbraw/zinc/81/83/18/497818318.db2.gz AVNFYRRCKFDVOX-PZJWPPBQSA-N 2 2 357.542 3.396 20 30 FGEDLP N#Cc1ccc2ncc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)n2c1 ZINC000581197047 505931883 /nfs/dbraw/zinc/93/18/83/505931883.db2.gz PMACZHFNCOHVSQ-LEWJYISDSA-N 2 2 371.488 3.160 20 30 FGEDLP N#Cc1ccc2ncc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)n2c1 ZINC000581197047 505931885 /nfs/dbraw/zinc/93/18/85/505931885.db2.gz PMACZHFNCOHVSQ-LEWJYISDSA-N 2 2 371.488 3.160 20 30 FGEDLP N#Cc1ccc2ncc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)n2c1 ZINC000581197047 505931887 /nfs/dbraw/zinc/93/18/87/505931887.db2.gz PMACZHFNCOHVSQ-LEWJYISDSA-N 2 2 371.488 3.160 20 30 FGEDLP N#Cc1ccc2ncc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)n2c1 ZINC000581197047 505931889 /nfs/dbraw/zinc/93/18/89/505931889.db2.gz PMACZHFNCOHVSQ-LEWJYISDSA-N 2 2 371.488 3.160 20 30 FGEDLP C[NH+](C)[C@@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000330245607 498077409 /nfs/dbraw/zinc/07/74/09/498077409.db2.gz KTMFTODBSJWINO-MRXNPFEDSA-N 2 2 365.547 3.091 20 30 FGEDLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000330278789 498090563 /nfs/dbraw/zinc/09/05/63/498090563.db2.gz QBYJQFFXRVABFD-HQSKLWIPSA-N 2 2 359.518 3.359 20 30 FGEDLP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000330278789 498090570 /nfs/dbraw/zinc/09/05/70/498090570.db2.gz QBYJQFFXRVABFD-HQSKLWIPSA-N 2 2 359.518 3.359 20 30 FGEDLP C=CCc1ccccc1OC[C@H](O)C[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000579227298 506124207 /nfs/dbraw/zinc/12/42/07/506124207.db2.gz ADZBPSHKMIADAT-LJQANCHMSA-N 2 2 365.477 3.103 20 30 FGEDLP C#CCOc1ccc(Br)cc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000370263615 499203736 /nfs/dbraw/zinc/20/37/36/499203736.db2.gz ZJFPJBKXZYEMDB-UHFFFAOYSA-N 2 2 374.282 3.284 20 30 FGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000369218955 499378804 /nfs/dbraw/zinc/37/88/04/499378804.db2.gz BBSBKTFJVVDFHR-GHTZIAJQSA-N 2 2 364.493 3.374 20 30 FGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000369218955 499378805 /nfs/dbraw/zinc/37/88/05/499378805.db2.gz BBSBKTFJVVDFHR-GHTZIAJQSA-N 2 2 364.493 3.374 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccnc(OC(F)F)c3)CC2)cc1 ZINC000375312340 499506228 /nfs/dbraw/zinc/50/62/28/499506228.db2.gz BKGVAHGFQWTLNB-UHFFFAOYSA-N 2 2 372.419 3.309 20 30 FGEDLP Cc1[nH+]c(CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2n1CCCC2 ZINC000376161296 499587526 /nfs/dbraw/zinc/58/75/26/499587526.db2.gz HKOLKRDRPPBGEO-UHFFFAOYSA-N 2 2 363.509 3.154 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 ZINC000377089342 499661035 /nfs/dbraw/zinc/66/10/35/499661035.db2.gz HCBGTJUGVUHOPV-WMZOPIPTSA-N 2 2 351.535 3.262 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@H]2CCC[NH2+]C2)cc1OCC ZINC000414861422 499838915 /nfs/dbraw/zinc/83/89/15/499838915.db2.gz FJKIUBWRXDUQMQ-AWEZNQCLSA-N 2 2 369.303 3.254 20 30 FGEDLP C=CCC[C@@H](C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000427942327 500447856 /nfs/dbraw/zinc/44/78/56/500447856.db2.gz UJYUKPHCRWTINB-DENIHFKCSA-N 2 2 369.553 3.363 20 30 FGEDLP C=CCC[C@@H](C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000427942327 500447858 /nfs/dbraw/zinc/44/78/58/500447858.db2.gz UJYUKPHCRWTINB-DENIHFKCSA-N 2 2 369.553 3.363 20 30 FGEDLP N#CCCCOc1cccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c1 ZINC000598918592 506227154 /nfs/dbraw/zinc/22/71/54/506227154.db2.gz OENZWCOGAAWBLE-UHFFFAOYSA-N 2 2 351.441 3.436 20 30 FGEDLP C=CCC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCCCC1 ZINC000450240960 501217640 /nfs/dbraw/zinc/21/76/40/501217640.db2.gz FNKCRZCXYQPBTH-YOFSQIOKSA-N 2 2 359.558 3.282 20 30 FGEDLP C=CCC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCCCC1 ZINC000450240960 501217644 /nfs/dbraw/zinc/21/76/44/501217644.db2.gz FNKCRZCXYQPBTH-YOFSQIOKSA-N 2 2 359.558 3.282 20 30 FGEDLP N#CCCn1cc(C(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ccccc21 ZINC000469740389 502525641 /nfs/dbraw/zinc/52/56/41/502525641.db2.gz XMVVJTPFGWFCGC-GOSISDBHSA-N 2 2 374.444 3.286 20 30 FGEDLP N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c2ccccc21 ZINC000469740389 502525648 /nfs/dbraw/zinc/52/56/48/502525648.db2.gz XMVVJTPFGWFCGC-GOSISDBHSA-N 2 2 374.444 3.286 20 30 FGEDLP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000502746222 503263162 /nfs/dbraw/zinc/26/31/62/503263162.db2.gz CNCAOAOWTJJZHM-UHFFFAOYSA-N 2 2 370.541 3.105 20 30 FGEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1F ZINC000512668878 503608294 /nfs/dbraw/zinc/60/82/94/503608294.db2.gz WZIJRBYJNMCFTH-BPXKWBHBSA-N 2 2 367.468 3.231 20 30 FGEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)cc1F ZINC000512668878 503608298 /nfs/dbraw/zinc/60/82/98/503608298.db2.gz WZIJRBYJNMCFTH-BPXKWBHBSA-N 2 2 367.468 3.231 20 30 FGEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000543988451 503961049 /nfs/dbraw/zinc/96/10/49/503961049.db2.gz QXDYUKUCTTXOSL-KRWDZBQOSA-N 2 2 365.481 3.274 20 30 FGEDLP N#Cc1cccc(NC(=O)CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000543990136 503963041 /nfs/dbraw/zinc/96/30/41/503963041.db2.gz QOCAIXYMIKIDOK-UHFFFAOYSA-N 2 2 365.481 3.276 20 30 FGEDLP N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CC[NH+](C4CCCC4)CC3)C2=O)cc1 ZINC000541882207 504288389 /nfs/dbraw/zinc/28/83/89/504288389.db2.gz OOGRSSSLGSVNTK-OAQYLSRUSA-N 2 2 366.509 3.050 20 30 FGEDLP N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000548294999 504389637 /nfs/dbraw/zinc/38/96/37/504389637.db2.gz DZVXADFDYAWTDQ-HXUWFJFHSA-N 2 2 358.445 3.438 20 30 FGEDLP C=CCOc1ccc(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)cc1Cl ZINC000520208413 504435791 /nfs/dbraw/zinc/43/57/91/504435791.db2.gz SPQWEVREINRDSA-KRWDZBQOSA-N 2 2 352.906 3.351 20 30 FGEDLP C=CCOc1ccc(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1Cl ZINC000520208413 504435794 /nfs/dbraw/zinc/43/57/94/504435794.db2.gz SPQWEVREINRDSA-KRWDZBQOSA-N 2 2 352.906 3.351 20 30 FGEDLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000562903318 504981208 /nfs/dbraw/zinc/98/12/08/504981208.db2.gz AQPZTOCCCNGNHO-UHFFFAOYSA-N 2 2 364.449 3.134 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](CO)C3CCCCC3)CC2)cc1 ZINC000550275749 505010288 /nfs/dbraw/zinc/01/02/88/505010288.db2.gz DKLTXXFTLJTZFE-NRFANRHFSA-N 2 2 355.526 3.301 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3COc4ccc(F)cc4C3)CC2)cc1 ZINC000564152165 505338986 /nfs/dbraw/zinc/33/89/86/505338986.db2.gz LACRCROTIIAOPI-OAQYLSRUSA-N 2 2 365.452 3.255 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000593323034 506540673 /nfs/dbraw/zinc/54/06/73/506540673.db2.gz ONDGLCRJQPBIQS-YTFSRNRJSA-N 3 2 366.553 3.423 20 30 FGEDLP N#Cc1ccc(OC2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)cc1 ZINC000596994950 506721176 /nfs/dbraw/zinc/72/11/76/506721176.db2.gz FTMOYVSWMUKWSW-UHFFFAOYSA-N 2 2 359.433 3.182 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000593688413 506733284 /nfs/dbraw/zinc/73/32/84/506733284.db2.gz QWLVOBQOURLUBY-UHFFFAOYSA-N 2 2 350.422 3.221 20 30 FGEDLP CC[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000609047636 506768822 /nfs/dbraw/zinc/76/88/22/506768822.db2.gz WMOSEKSFGCIFKT-GCJKJVERSA-N 2 2 351.494 3.434 20 30 FGEDLP CC[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000609047636 506768825 /nfs/dbraw/zinc/76/88/25/506768825.db2.gz WMOSEKSFGCIFKT-GCJKJVERSA-N 2 2 351.494 3.434 20 30 FGEDLP CC[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000609047636 506768831 /nfs/dbraw/zinc/76/88/31/506768831.db2.gz WMOSEKSFGCIFKT-GCJKJVERSA-N 2 2 351.494 3.434 20 30 FGEDLP CC[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000609047636 506768837 /nfs/dbraw/zinc/76/88/37/506768837.db2.gz WMOSEKSFGCIFKT-GCJKJVERSA-N 2 2 351.494 3.434 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cnc4ccccc4n3)CC2)c1 ZINC000600175837 506822784 /nfs/dbraw/zinc/82/27/84/506822784.db2.gz JBOHLDCOYQVMKJ-UHFFFAOYSA-N 2 2 357.461 3.256 20 30 FGEDLP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330277784 568088610 /nfs/dbraw/zinc/08/86/10/568088610.db2.gz OUAFHJOHQCUQPH-QZTJIDSGSA-N 2 2 370.522 3.020 20 30 FGEDLP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330277784 568088611 /nfs/dbraw/zinc/08/86/11/568088611.db2.gz OUAFHJOHQCUQPH-QZTJIDSGSA-N 2 2 370.522 3.020 20 30 FGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000237485208 713592585 /nfs/dbraw/zinc/59/25/85/713592585.db2.gz VUOXBKFHLFNEBJ-KRWDZBQOSA-N 2 2 359.539 3.429 20 30 FGEDLP C=CCc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc(OC)c1O ZINC000629657582 716332371 /nfs/dbraw/zinc/33/23/71/716332371.db2.gz ZZIXUKJIPHYFQA-CABCVRRESA-N 2 2 358.404 3.088 20 30 FGEDLP C=CCc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc(OC)c1O ZINC000629657582 716332374 /nfs/dbraw/zinc/33/23/74/716332374.db2.gz ZZIXUKJIPHYFQA-CABCVRRESA-N 2 2 358.404 3.088 20 30 FGEDLP CSc1ccc(OCCO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000747838781 722662942 /nfs/dbraw/zinc/66/29/42/722662942.db2.gz KOIMEDRXDWWJRC-UHFFFAOYSA-N 2 2 359.495 3.186 20 30 FGEDLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(Cl)cc(C#N)c3)CC2)CC1 ZINC000930130708 760534580 /nfs/dbraw/zinc/53/45/80/760534580.db2.gz SVLNVBPOLCRVCA-UHFFFAOYSA-N 2 2 360.933 3.202 20 30 FGEDLP N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000080907782 493790020 /nfs/dbraw/zinc/79/00/20/493790020.db2.gz TYZDTWVWWWLGSJ-JOCHJYFZSA-N 2 2 357.461 3.255 20 30 FGEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000081568557 493919869 /nfs/dbraw/zinc/91/98/69/493919869.db2.gz BSCKODQZTCRQQL-FQEVSTJZSA-N 2 2 370.541 3.214 20 30 FGEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000081568557 493919872 /nfs/dbraw/zinc/91/98/72/493919872.db2.gz BSCKODQZTCRQQL-FQEVSTJZSA-N 2 2 370.541 3.214 20 30 FGEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000081568557 493919875 /nfs/dbraw/zinc/91/98/75/493919875.db2.gz BSCKODQZTCRQQL-FQEVSTJZSA-N 2 2 370.541 3.214 20 30 FGEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000081568557 493919879 /nfs/dbraw/zinc/91/98/79/493919879.db2.gz BSCKODQZTCRQQL-FQEVSTJZSA-N 2 2 370.541 3.214 20 30 FGEDLP Cc1ccn2c(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c[nH+]c2c1 ZINC000122815707 495035267 /nfs/dbraw/zinc/03/52/67/495035267.db2.gz LGTBSEZFEHOMGQ-UHFFFAOYSA-N 2 2 359.477 3.222 20 30 FGEDLP Cc1ccn2c(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c[nH+]c2c1 ZINC000122815707 495035268 /nfs/dbraw/zinc/03/52/68/495035268.db2.gz LGTBSEZFEHOMGQ-UHFFFAOYSA-N 2 2 359.477 3.222 20 30 FGEDLP C=C[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000136131186 495358552 /nfs/dbraw/zinc/35/85/52/495358552.db2.gz ACGOMUDKUIACLD-FQEVSTJZSA-N 2 2 369.553 3.413 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173644772 495630182 /nfs/dbraw/zinc/63/01/82/495630182.db2.gz KZJQUWFNFTXLSY-OALUTQOASA-N 2 2 356.514 3.128 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173644772 495630188 /nfs/dbraw/zinc/63/01/88/495630188.db2.gz KZJQUWFNFTXLSY-OALUTQOASA-N 2 2 356.514 3.128 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173644772 495630195 /nfs/dbraw/zinc/63/01/95/495630195.db2.gz KZJQUWFNFTXLSY-OALUTQOASA-N 2 2 356.514 3.128 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173644772 495630199 /nfs/dbraw/zinc/63/01/99/495630199.db2.gz KZJQUWFNFTXLSY-OALUTQOASA-N 2 2 356.514 3.128 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152337579 496120977 /nfs/dbraw/zinc/12/09/77/496120977.db2.gz VTXATVDPWYCQLJ-IAGOWNOFSA-N 2 2 374.554 3.293 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152337579 496120980 /nfs/dbraw/zinc/12/09/80/496120980.db2.gz VTXATVDPWYCQLJ-IAGOWNOFSA-N 2 2 374.554 3.293 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152337579 496120983 /nfs/dbraw/zinc/12/09/83/496120983.db2.gz VTXATVDPWYCQLJ-IAGOWNOFSA-N 2 2 374.554 3.293 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152337579 496120988 /nfs/dbraw/zinc/12/09/88/496120988.db2.gz VTXATVDPWYCQLJ-IAGOWNOFSA-N 2 2 374.554 3.293 20 30 FGEDLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181513717 496427526 /nfs/dbraw/zinc/42/75/26/496427526.db2.gz KTDGCRGWCJUGJU-WOJBJXKFSA-N 3 2 368.569 3.480 20 30 FGEDLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccc(C#N)c1 ZINC000181583072 496456558 /nfs/dbraw/zinc/45/65/58/496456558.db2.gz LCLKKTLIZYPZER-GOSISDBHSA-N 2 2 365.477 3.120 20 30 FGEDLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000181628913 496476087 /nfs/dbraw/zinc/47/60/87/496476087.db2.gz UUGWDSATFVPAPQ-SJORKVTESA-N 2 2 357.477 3.062 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246984368 496742985 /nfs/dbraw/zinc/74/29/85/496742985.db2.gz LBSRBJCURJZARP-HMFYCAOWSA-N 2 2 364.493 3.373 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246984368 496742990 /nfs/dbraw/zinc/74/29/90/496742990.db2.gz LBSRBJCURJZARP-HMFYCAOWSA-N 2 2 364.493 3.373 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000268913455 496821551 /nfs/dbraw/zinc/82/15/51/496821551.db2.gz UNAJTMHOHYKYRE-AWEZNQCLSA-N 2 2 372.481 3.374 20 30 FGEDLP C=CC[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000188834270 496922599 /nfs/dbraw/zinc/92/25/99/496922599.db2.gz YICXXAVQAHKWPJ-OAQYLSRUSA-N 2 2 355.526 3.021 20 30 FGEDLP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OCCCC#N ZINC000271175516 497281643 /nfs/dbraw/zinc/28/16/43/497281643.db2.gz FOCMFCUZLTWAJW-UHFFFAOYSA-N 2 2 354.454 3.480 20 30 FGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000245437751 497404772 /nfs/dbraw/zinc/40/47/72/497404772.db2.gz RSMUXODUNBTBPF-PZJWPPBQSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000245437751 497404774 /nfs/dbraw/zinc/40/47/74/497404774.db2.gz RSMUXODUNBTBPF-PZJWPPBQSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000245437751 497404777 /nfs/dbraw/zinc/40/47/77/497404777.db2.gz RSMUXODUNBTBPF-PZJWPPBQSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)[C@@H](C)C1 ZINC000245437751 497404780 /nfs/dbraw/zinc/40/47/80/497404780.db2.gz RSMUXODUNBTBPF-PZJWPPBQSA-N 2 2 370.541 3.212 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000271907225 497485142 /nfs/dbraw/zinc/48/51/42/497485142.db2.gz XBLZKRHQBDZDJJ-UHFFFAOYSA-N 2 2 364.449 3.263 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246480589 497748581 /nfs/dbraw/zinc/74/85/81/497748581.db2.gz ADFDEEIIHUNZPP-IKGGRYGDSA-N 2 2 374.554 3.291 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246480589 497748585 /nfs/dbraw/zinc/74/85/85/497748585.db2.gz ADFDEEIIHUNZPP-IKGGRYGDSA-N 2 2 374.554 3.291 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246480589 497748589 /nfs/dbraw/zinc/74/85/89/497748589.db2.gz ADFDEEIIHUNZPP-IKGGRYGDSA-N 2 2 374.554 3.291 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246480589 497748594 /nfs/dbraw/zinc/74/85/94/497748594.db2.gz ADFDEEIIHUNZPP-IKGGRYGDSA-N 2 2 374.554 3.291 20 30 FGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000263660894 497806318 /nfs/dbraw/zinc/80/63/18/497806318.db2.gz DXDIQKWABLAHCT-UHFFFAOYSA-N 2 2 370.541 3.355 20 30 FGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000263660894 497806319 /nfs/dbraw/zinc/80/63/19/497806319.db2.gz DXDIQKWABLAHCT-UHFFFAOYSA-N 2 2 370.541 3.355 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000246765968 497809275 /nfs/dbraw/zinc/80/92/75/497809275.db2.gz NXYCMJLHGZRNFC-BRWVUGGUSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000246765968 497809276 /nfs/dbraw/zinc/80/92/76/497809276.db2.gz NXYCMJLHGZRNFC-BRWVUGGUSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246765968 497809277 /nfs/dbraw/zinc/80/92/77/497809277.db2.gz NXYCMJLHGZRNFC-BRWVUGGUSA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246765968 497809278 /nfs/dbraw/zinc/80/92/78/497809278.db2.gz NXYCMJLHGZRNFC-BRWVUGGUSA-N 2 2 374.554 3.434 20 30 FGEDLP O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329980402 497979230 /nfs/dbraw/zinc/97/92/30/497979230.db2.gz LGZYWJWVHCLIGV-DZKIICNBSA-N 2 2 362.474 3.076 20 30 FGEDLP O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329980402 497979234 /nfs/dbraw/zinc/97/92/34/497979234.db2.gz LGZYWJWVHCLIGV-DZKIICNBSA-N 2 2 362.474 3.076 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3F)[C@@H](C)C2)s1 ZINC000362217971 498477245 /nfs/dbraw/zinc/47/72/45/498477245.db2.gz HGQCJLJMDZNPDG-ORAYPTAESA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3F)[C@@H](C)C2)s1 ZINC000362217971 498477249 /nfs/dbraw/zinc/47/72/49/498477249.db2.gz HGQCJLJMDZNPDG-ORAYPTAESA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3F)[C@H](C)C2)s1 ZINC000362217969 498477528 /nfs/dbraw/zinc/47/75/28/498477528.db2.gz HGQCJLJMDZNPDG-BFUOFWGJSA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3F)[C@H](C)C2)s1 ZINC000362217969 498477536 /nfs/dbraw/zinc/47/75/36/498477536.db2.gz HGQCJLJMDZNPDG-BFUOFWGJSA-N 2 2 358.486 3.463 20 30 FGEDLP CCCCCCCCOCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363056728 498626763 /nfs/dbraw/zinc/62/67/63/498626763.db2.gz GXQULXUYTXZLRK-UHFFFAOYSA-N 2 2 367.578 3.038 20 30 FGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000332772138 498789425 /nfs/dbraw/zinc/78/94/25/498789425.db2.gz HIWPUYJNZDIPNF-PMACEKPBSA-N 2 2 374.573 3.306 20 30 FGEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000332772138 498789433 /nfs/dbraw/zinc/78/94/33/498789433.db2.gz HIWPUYJNZDIPNF-PMACEKPBSA-N 2 2 374.573 3.306 20 30 FGEDLP O=C(NC[C@@H]1CCCn2cc[nH+]c21)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000328603527 498871222 /nfs/dbraw/zinc/87/12/22/498871222.db2.gz HVSVUEGOCLUOJM-MOPGFXCFSA-N 2 2 373.545 3.263 20 30 FGEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC#Cc1ccc(C(F)(F)F)cc1 ZINC000371302354 499307651 /nfs/dbraw/zinc/30/76/51/499307651.db2.gz YIFSQJJTJPSYIY-GUDVDZBRSA-N 2 2 366.427 3.240 20 30 FGEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC#Cc1ccc(C(F)(F)F)cc1 ZINC000371302354 499307653 /nfs/dbraw/zinc/30/76/53/499307653.db2.gz YIFSQJJTJPSYIY-GUDVDZBRSA-N 2 2 366.427 3.240 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCOc3ccccc3C#N)[C@@H](C)C2)s1 ZINC000368965420 499351350 /nfs/dbraw/zinc/35/13/50/499351350.db2.gz KKICXHCVWDVBPG-KXBFYZLASA-N 2 2 370.522 3.202 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCOc3ccccc3C#N)[C@@H](C)C2)s1 ZINC000368965420 499351353 /nfs/dbraw/zinc/35/13/53/499351353.db2.gz KKICXHCVWDVBPG-KXBFYZLASA-N 2 2 370.522 3.202 20 30 FGEDLP Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)c(C#N)c1C ZINC000372090807 499398238 /nfs/dbraw/zinc/39/82/38/499398238.db2.gz QSNDFSZEZOJPNQ-MRXNPFEDSA-N 2 2 369.469 3.191 20 30 FGEDLP Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)c(C#N)c1C ZINC000372090807 499398239 /nfs/dbraw/zinc/39/82/39/499398239.db2.gz QSNDFSZEZOJPNQ-MRXNPFEDSA-N 2 2 369.469 3.191 20 30 FGEDLP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000373184048 499455893 /nfs/dbraw/zinc/45/58/93/499455893.db2.gz BOVBWBOADFDKNU-HBMCJLEFSA-N 2 2 353.510 3.316 20 30 FGEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)c1ccc(OCC#N)cc1 ZINC000373187209 499456195 /nfs/dbraw/zinc/45/61/95/499456195.db2.gz UCBUKEQBCGMFRR-MDKPJZGXSA-N 2 2 367.497 3.056 20 30 FGEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)c1ccc(OCC#N)cc1 ZINC000373187209 499456196 /nfs/dbraw/zinc/45/61/96/499456196.db2.gz UCBUKEQBCGMFRR-MDKPJZGXSA-N 2 2 367.497 3.056 20 30 FGEDLP COc1ccc([C@H](CCC#N)[NH2+]C[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000373188267 499456261 /nfs/dbraw/zinc/45/62/61/499456261.db2.gz SRMJAAIQJFLWEN-JBACZVJFSA-N 2 2 357.498 3.131 20 30 FGEDLP CN(C(=O)c1cscc1C#N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000570417205 506163952 /nfs/dbraw/zinc/16/39/52/506163952.db2.gz UBUJVSCLPAEDLY-OALUTQOASA-N 2 2 374.554 3.029 20 30 FGEDLP CN(C(=O)c1cscc1C#N)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000570417205 506163955 /nfs/dbraw/zinc/16/39/55/506163955.db2.gz UBUJVSCLPAEDLY-OALUTQOASA-N 2 2 374.554 3.029 20 30 FGEDLP COCC[N@H+](C)CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000421329272 500018053 /nfs/dbraw/zinc/01/80/53/500018053.db2.gz VBEFSLLCLWXMNE-OAQYLSRUSA-N 2 2 355.457 3.497 20 30 FGEDLP COCC[N@@H+](C)CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000421329272 500018056 /nfs/dbraw/zinc/01/80/56/500018056.db2.gz VBEFSLLCLWXMNE-OAQYLSRUSA-N 2 2 355.457 3.497 20 30 FGEDLP C=C[C@H](CC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422025962 500201088 /nfs/dbraw/zinc/20/10/88/500201088.db2.gz TZGPVMQQQSBNPQ-HXUWFJFHSA-N 2 2 369.553 3.365 20 30 FGEDLP C=C[C@H](CC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422025962 500201091 /nfs/dbraw/zinc/20/10/91/500201091.db2.gz TZGPVMQQQSBNPQ-HXUWFJFHSA-N 2 2 369.553 3.365 20 30 FGEDLP COc1ccc([C@@H]([NH2+]CCOc2ccc(C#N)cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422992054 500328431 /nfs/dbraw/zinc/32/84/31/500328431.db2.gz QNJOWLBZPDUFMV-NHCUHLMSSA-N 2 2 351.450 3.029 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431616263 500398750 /nfs/dbraw/zinc/39/87/50/500398750.db2.gz FBOXVDSSPLPLGX-FUHWJXTLSA-N 2 2 371.506 3.200 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431616263 500398752 /nfs/dbraw/zinc/39/87/52/500398752.db2.gz FBOXVDSSPLPLGX-FUHWJXTLSA-N 2 2 371.506 3.200 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3COc4cc(F)ccc4C3)CC2)cc1 ZINC000573459771 506198756 /nfs/dbraw/zinc/19/87/56/506198756.db2.gz NZWDBLONURZDCM-NRFANRHFSA-N 2 2 365.452 3.255 20 30 FGEDLP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)cc1 ZINC000447540508 500620224 /nfs/dbraw/zinc/62/02/24/500620224.db2.gz JIAQWCGPSJWRAP-VJBWXMMDSA-N 2 2 363.505 3.482 20 30 FGEDLP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)cc1 ZINC000447540508 500620227 /nfs/dbraw/zinc/62/02/27/500620227.db2.gz JIAQWCGPSJWRAP-VJBWXMMDSA-N 2 2 363.505 3.482 20 30 FGEDLP C=CC[C@@H]1[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1(C)C ZINC000444777828 500898490 /nfs/dbraw/zinc/89/84/90/500898490.db2.gz GWFNYZLZWGYWSU-IBGZPJMESA-N 2 2 370.541 3.187 20 30 FGEDLP C=CC[C@@H]1[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CCCC1(C)C ZINC000444777828 500898491 /nfs/dbraw/zinc/89/84/91/500898491.db2.gz GWFNYZLZWGYWSU-IBGZPJMESA-N 2 2 370.541 3.187 20 30 FGEDLP Cn1cc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000598918643 506227073 /nfs/dbraw/zinc/22/70/73/506227073.db2.gz QRCXMQAXNRSLRY-UHFFFAOYSA-N 2 2 373.451 3.025 20 30 FGEDLP C=CCSc1ccccc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000485487535 501835065 /nfs/dbraw/zinc/83/50/65/501835065.db2.gz GOJMPPIIPVFBHY-KRWDZBQOSA-N 2 2 373.566 3.205 20 30 FGEDLP C=CCSc1ccccc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000485487535 501835072 /nfs/dbraw/zinc/83/50/72/501835072.db2.gz GOJMPPIIPVFBHY-KRWDZBQOSA-N 2 2 373.566 3.205 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481175463 502772637 /nfs/dbraw/zinc/77/26/37/502772637.db2.gz KHANMUJXKYOBMB-DYXWJJEUSA-N 2 2 357.542 3.300 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481175463 502772643 /nfs/dbraw/zinc/77/26/43/502772643.db2.gz KHANMUJXKYOBMB-DYXWJJEUSA-N 2 2 357.542 3.300 20 30 FGEDLP CC[NH+]1CCC([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000470458186 502782833 /nfs/dbraw/zinc/78/28/33/502782833.db2.gz JXZXJXDCEJTNOI-UHFFFAOYSA-N 2 2 362.905 3.003 20 30 FGEDLP CC[NH+]1CCC([N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000470458186 502782836 /nfs/dbraw/zinc/78/28/36/502782836.db2.gz JXZXJXDCEJTNOI-UHFFFAOYSA-N 2 2 362.905 3.003 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCN(c4ccccc4)C3)CC2)c1 ZINC000593693340 506735005 /nfs/dbraw/zinc/73/50/05/506735005.db2.gz VILPCZLHHRNHMI-JOCHJYFZSA-N 2 2 360.505 3.391 20 30 FGEDLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]1SC ZINC000593695352 506736556 /nfs/dbraw/zinc/73/65/56/506736556.db2.gz LRQGIWDIKCOKGI-ZCNNSNEGSA-N 2 2 359.539 3.021 20 30 FGEDLP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CC[NH+](Cc4cccc(C#N)c4)CC3)C[C@H]2C1 ZINC000593695027 506736669 /nfs/dbraw/zinc/73/66/69/506736669.db2.gz FVEOLOBSLLFRNL-PBSQBRCYSA-N 2 2 353.510 3.316 20 30 FGEDLP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1 ZINC000593725668 506750307 /nfs/dbraw/zinc/75/03/07/506750307.db2.gz POZSSGVVFJZSNU-KRWDZBQOSA-N 2 2 364.493 3.147 20 30 FGEDLP CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000597242876 506857015 /nfs/dbraw/zinc/85/70/15/506857015.db2.gz XFLMHPVJQDWSLS-IRLDBZIGSA-N 2 2 369.509 3.234 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](C3CCC3)[C@H]3CCCO3)CC2)cc1 ZINC000601156644 507280720 /nfs/dbraw/zinc/28/07/20/507280720.db2.gz UQSAXTJJTMXBCE-YADHBBJMSA-N 2 2 353.510 3.460 20 30 FGEDLP CCNC(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)=[NH+]CC ZINC000727241490 722442506 /nfs/dbraw/zinc/44/25/06/722442506.db2.gz TZWLQOZKNOXLHC-SFHVURJKSA-N 2 2 356.539 3.423 20 30 FGEDLP CCNC(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)=[NH+]CC ZINC000727241490 722442507 /nfs/dbraw/zinc/44/25/07/722442507.db2.gz TZWLQOZKNOXLHC-SFHVURJKSA-N 2 2 356.539 3.423 20 30 FGEDLP C[N@H+](Cc1cc(C#N)ccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968905 493803642 /nfs/dbraw/zinc/80/36/42/493803642.db2.gz CVCPSNNMQJBWLF-UHFFFAOYSA-N 2 2 352.457 3.231 20 30 FGEDLP C[N@@H+](Cc1cc(C#N)ccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080968905 493803645 /nfs/dbraw/zinc/80/36/45/493803645.db2.gz CVCPSNNMQJBWLF-UHFFFAOYSA-N 2 2 352.457 3.231 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139979426 495485870 /nfs/dbraw/zinc/48/58/70/495485870.db2.gz FEJTWOIJRUQAAF-ZHALLVOQSA-N 2 2 361.555 3.067 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139979426 495485875 /nfs/dbraw/zinc/48/58/75/495485875.db2.gz FEJTWOIJRUQAAF-ZHALLVOQSA-N 2 2 361.555 3.067 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139979426 495485880 /nfs/dbraw/zinc/48/58/80/495485880.db2.gz FEJTWOIJRUQAAF-ZHALLVOQSA-N 2 2 361.555 3.067 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139979426 495485885 /nfs/dbraw/zinc/48/58/85/495485885.db2.gz FEJTWOIJRUQAAF-ZHALLVOQSA-N 2 2 361.555 3.067 20 30 FGEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000177312324 496015231 /nfs/dbraw/zinc/01/52/31/496015231.db2.gz CIKNLYRNGVQQGM-SJORKVTESA-N 2 2 360.889 3.099 20 30 FGEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000177312324 496015235 /nfs/dbraw/zinc/01/52/35/496015235.db2.gz CIKNLYRNGVQQGM-SJORKVTESA-N 2 2 360.889 3.099 20 30 FGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000177312324 496015238 /nfs/dbraw/zinc/01/52/38/496015238.db2.gz CIKNLYRNGVQQGM-SJORKVTESA-N 2 2 360.889 3.099 20 30 FGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000177312324 496015242 /nfs/dbraw/zinc/01/52/42/496015242.db2.gz CIKNLYRNGVQQGM-SJORKVTESA-N 2 2 360.889 3.099 20 30 FGEDLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4F)C3)n2c1 ZINC000156662338 496305008 /nfs/dbraw/zinc/30/50/08/496305008.db2.gz AESVAZMBRRCPEL-KRWDZBQOSA-N 2 2 363.440 3.412 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000181429602 496392141 /nfs/dbraw/zinc/39/21/41/496392141.db2.gz YCLXBOWVRXBDCV-OAQYLSRUSA-N 2 2 369.896 3.499 20 30 FGEDLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000245417244 497395885 /nfs/dbraw/zinc/39/58/85/497395885.db2.gz FVYJAFRFCLQGOA-MSOLQXFVSA-N 2 2 374.504 3.125 20 30 FGEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000245417244 497395890 /nfs/dbraw/zinc/39/58/90/497395890.db2.gz FVYJAFRFCLQGOA-MSOLQXFVSA-N 2 2 374.504 3.125 20 30 FGEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000245417244 497395896 /nfs/dbraw/zinc/39/58/96/497395896.db2.gz FVYJAFRFCLQGOA-MSOLQXFVSA-N 2 2 374.504 3.125 20 30 FGEDLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000245417244 497395900 /nfs/dbraw/zinc/39/59/00/497395900.db2.gz FVYJAFRFCLQGOA-MSOLQXFVSA-N 2 2 374.504 3.125 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266953109 497455093 /nfs/dbraw/zinc/45/50/93/497455093.db2.gz USJIRAONPUBLLM-HZPDHXFCSA-N 2 2 369.444 3.064 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266953109 497455097 /nfs/dbraw/zinc/45/50/97/497455097.db2.gz USJIRAONPUBLLM-HZPDHXFCSA-N 2 2 369.444 3.064 20 30 FGEDLP C[NH+]=C(NCCc1csc(C(C)C)n1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261953616 497482765 /nfs/dbraw/zinc/48/27/65/497482765.db2.gz IBZPBTUYVXJWPG-RDJZCZTQSA-N 2 2 374.558 3.164 20 30 FGEDLP C[C@@H]([NH2+]CC(=O)Nc1nc2c(s1)CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329673359 497864229 /nfs/dbraw/zinc/86/42/29/497864229.db2.gz NZXDUALLJFPTQY-ZIAGYGMSSA-N 2 2 362.543 3.462 20 30 FGEDLP C[C@@H]([NH2+]CC(=O)Nc1nc2c(s1)CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329673359 497864232 /nfs/dbraw/zinc/86/42/32/497864232.db2.gz NZXDUALLJFPTQY-ZIAGYGMSSA-N 2 2 362.543 3.462 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)[C@H](C)C2)s1 ZINC000364469306 497972648 /nfs/dbraw/zinc/97/26/48/497972648.db2.gz UREORYQXXZVPTK-YJYMSZOUSA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)[C@H](C)C2)s1 ZINC000364469306 497972655 /nfs/dbraw/zinc/97/26/55/497972655.db2.gz UREORYQXXZVPTK-YJYMSZOUSA-N 2 2 358.486 3.463 20 30 FGEDLP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329981219 497978927 /nfs/dbraw/zinc/97/89/27/497978927.db2.gz MVHQNEUALHHSQO-SFHVURJKSA-N 2 2 367.497 3.025 20 30 FGEDLP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000329981219 497978933 /nfs/dbraw/zinc/97/89/33/497978933.db2.gz MVHQNEUALHHSQO-SFHVURJKSA-N 2 2 367.497 3.025 20 30 FGEDLP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329981219 497978938 /nfs/dbraw/zinc/97/89/38/497978938.db2.gz MVHQNEUALHHSQO-SFHVURJKSA-N 2 2 367.497 3.025 20 30 FGEDLP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000329981219 497978945 /nfs/dbraw/zinc/97/89/45/497978945.db2.gz MVHQNEUALHHSQO-SFHVURJKSA-N 2 2 367.497 3.025 20 30 FGEDLP COc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)cc1C#N ZINC000363526019 498861008 /nfs/dbraw/zinc/86/10/08/498861008.db2.gz BHIUCNMFCIYKNQ-AUUYWEPGSA-N 2 2 370.522 3.332 20 30 FGEDLP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2C)cc1C#N ZINC000363526019 498861016 /nfs/dbraw/zinc/86/10/16/498861016.db2.gz BHIUCNMFCIYKNQ-AUUYWEPGSA-N 2 2 370.522 3.332 20 30 FGEDLP CN(C(=O)c1ccc(C#N)s1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000328869494 498967482 /nfs/dbraw/zinc/96/74/82/498967482.db2.gz XRWSOKFLNLLBKF-QZTJIDSGSA-N 2 2 374.554 3.029 20 30 FGEDLP CN(C(=O)c1ccc(C#N)s1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000328869494 498967487 /nfs/dbraw/zinc/96/74/87/498967487.db2.gz XRWSOKFLNLLBKF-QZTJIDSGSA-N 2 2 374.554 3.029 20 30 FGEDLP Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329334809 499101336 /nfs/dbraw/zinc/10/13/36/499101336.db2.gz KWVYALCIZLZNOM-PKOBYXMFSA-N 2 2 369.513 3.260 20 30 FGEDLP Cc1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c[nH+]c1N1CCCC[C@H]1C ZINC000329369454 499111031 /nfs/dbraw/zinc/11/10/31/499111031.db2.gz IHJPXMDVVCIJIL-SJLPKXTDSA-N 2 2 357.502 3.094 20 30 FGEDLP Cc1cc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c[nH+]c1N1CCCC[C@H]1C ZINC000329369454 499111035 /nfs/dbraw/zinc/11/10/35/499111035.db2.gz IHJPXMDVVCIJIL-SJLPKXTDSA-N 2 2 357.502 3.094 20 30 FGEDLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)n2)C1 ZINC000329414379 499117536 /nfs/dbraw/zinc/11/75/36/499117536.db2.gz CPCWWMJISKGXEP-KGLIPLIRSA-N 2 2 359.499 3.422 20 30 FGEDLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@H]3CCn4c[nH+]cc4C3)n2)C1 ZINC000329414379 499117539 /nfs/dbraw/zinc/11/75/39/499117539.db2.gz CPCWWMJISKGXEP-KGLIPLIRSA-N 2 2 359.499 3.422 20 30 FGEDLP CC[NH+]1CCC([N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C2CC2)CC1 ZINC000367177210 499158031 /nfs/dbraw/zinc/15/80/31/499158031.db2.gz WRERJIJSEAMYGN-UHFFFAOYSA-N 2 2 360.889 3.099 20 30 FGEDLP CC[NH+]1CCC([N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C2CC2)CC1 ZINC000367177210 499158033 /nfs/dbraw/zinc/15/80/33/499158033.db2.gz WRERJIJSEAMYGN-UHFFFAOYSA-N 2 2 360.889 3.099 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000369218956 499378692 /nfs/dbraw/zinc/37/86/92/499378692.db2.gz BBSBKTFJVVDFHR-NQIIRXRSSA-N 2 2 364.493 3.374 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000369218956 499378694 /nfs/dbraw/zinc/37/86/94/499378694.db2.gz BBSBKTFJVVDFHR-NQIIRXRSSA-N 2 2 364.493 3.374 20 30 FGEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000377889926 499745890 /nfs/dbraw/zinc/74/58/90/499745890.db2.gz RAONILQSOIATNE-GOSISDBHSA-N 2 2 360.465 3.187 20 30 FGEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000377889926 499745892 /nfs/dbraw/zinc/74/58/92/499745892.db2.gz RAONILQSOIATNE-GOSISDBHSA-N 2 2 360.465 3.187 20 30 FGEDLP C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420959738 500541608 /nfs/dbraw/zinc/54/16/08/500541608.db2.gz GUSUPJYBIPALCF-UHFFFAOYSA-N 2 2 370.493 3.182 20 30 FGEDLP C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420959738 500541611 /nfs/dbraw/zinc/54/16/11/500541611.db2.gz GUSUPJYBIPALCF-UHFFFAOYSA-N 2 2 370.493 3.182 20 30 FGEDLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1Cl ZINC000433180892 500640496 /nfs/dbraw/zinc/64/04/96/500640496.db2.gz WGODIAGFHYOQLP-DNVCBOLYSA-N 2 2 369.896 3.281 20 30 FGEDLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1Cl ZINC000433180892 500640498 /nfs/dbraw/zinc/64/04/98/500640498.db2.gz WGODIAGFHYOQLP-DNVCBOLYSA-N 2 2 369.896 3.281 20 30 FGEDLP C=CCCCC[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000449119662 500929268 /nfs/dbraw/zinc/92/92/68/500929268.db2.gz AKLWYQBQSWGLDP-RTBURBONSA-N 2 2 373.545 3.007 20 30 FGEDLP CC(C)[C@H](CO)[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC000449515544 501022916 /nfs/dbraw/zinc/02/29/16/501022916.db2.gz ZYZMBOHMABQSNP-VXKWHMMOSA-N 2 2 357.542 3.401 20 30 FGEDLP CN(C(=O)CCCCCC#N)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000588655877 506294499 /nfs/dbraw/zinc/29/44/99/506294499.db2.gz LGMQVFCFHCIZQM-VQTJNVASSA-N 2 2 362.562 3.256 20 30 FGEDLP CN(C(=O)CCCCCC#N)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000588655877 506294501 /nfs/dbraw/zinc/29/45/01/506294501.db2.gz LGMQVFCFHCIZQM-VQTJNVASSA-N 2 2 362.562 3.256 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000482892590 502209065 /nfs/dbraw/zinc/20/90/65/502209065.db2.gz BPTNGJAJNZDRGH-UHFFFAOYSA-N 2 2 354.498 3.406 20 30 FGEDLP C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000466378793 502553222 /nfs/dbraw/zinc/55/32/22/502553222.db2.gz SECYROWFURQWST-DFQSSKMNSA-N 2 2 364.578 3.320 20 30 FGEDLP C=CC[C@H](CC)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000466378793 502553229 /nfs/dbraw/zinc/55/32/29/502553229.db2.gz SECYROWFURQWST-DFQSSKMNSA-N 2 2 364.578 3.320 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000469859309 502571635 /nfs/dbraw/zinc/57/16/35/502571635.db2.gz BCPINLNPEOGCSI-OCCSQVGLSA-N 2 2 369.303 3.192 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000469859309 502571640 /nfs/dbraw/zinc/57/16/40/502571640.db2.gz BCPINLNPEOGCSI-OCCSQVGLSA-N 2 2 369.303 3.192 20 30 FGEDLP Cc1[nH+]c2ccccc2n1CCCCC[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602848191 506325469 /nfs/dbraw/zinc/32/54/69/506325469.db2.gz FICIEJQRPKIIIO-ROUUACIJSA-N 2 2 353.514 3.433 20 30 FGEDLP C=CCCCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000474077337 502801599 /nfs/dbraw/zinc/80/15/99/502801599.db2.gz FSXBNVBRBFQWAK-WOJBJXKFSA-N 2 2 364.578 3.321 20 30 FGEDLP C=CCCCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000474077337 502801602 /nfs/dbraw/zinc/80/16/02/502801602.db2.gz FSXBNVBRBFQWAK-WOJBJXKFSA-N 2 2 364.578 3.321 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)Cn1c(C)[nH+]c2ccccc21)C(C)C ZINC000513020320 502832052 /nfs/dbraw/zinc/83/20/52/502832052.db2.gz ODCHRUUWCCBDDR-FQEVSTJZSA-N 2 2 354.498 3.160 20 30 FGEDLP C=CCCc1ccccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000505030543 502842331 /nfs/dbraw/zinc/84/23/31/502842331.db2.gz XEYNBATUDAZSRL-UHFFFAOYSA-N 2 2 370.541 3.485 20 30 FGEDLP C=CCOc1ccccc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000512676267 503609964 /nfs/dbraw/zinc/60/99/64/503609964.db2.gz ADFXQOJJXZIERP-WOJBJXKFSA-N 2 2 357.542 3.242 20 30 FGEDLP C=CCOc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1 ZINC000532675974 504732606 /nfs/dbraw/zinc/73/26/06/504732606.db2.gz SLOQDXOPYFHIBL-UHFFFAOYSA-N 2 2 366.509 3.211 20 30 FGEDLP CC1([NH+]2CCOCC2)CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000529663387 504754671 /nfs/dbraw/zinc/75/46/71/504754671.db2.gz LBDANASXGREJBN-UHFFFAOYSA-N 2 2 357.498 3.056 20 30 FGEDLP C=CCC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccco1 ZINC000560530647 505116090 /nfs/dbraw/zinc/11/60/90/505116090.db2.gz UMAZOHQOCGTGOC-SFHVURJKSA-N 2 2 368.481 3.010 20 30 FGEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3cccc(C(F)F)c3C#N)CC2)CC1 ZINC000566485199 505188186 /nfs/dbraw/zinc/18/81/86/505188186.db2.gz AVFMYOLAMBUKNS-UHFFFAOYSA-N 2 2 362.468 3.491 20 30 FGEDLP C=CCOc1ccccc1C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000561491319 505359650 /nfs/dbraw/zinc/35/96/50/505359650.db2.gz YMWGLELBBMRYTA-IBGZPJMESA-N 2 2 365.477 3.369 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157725 506797512 /nfs/dbraw/zinc/79/75/12/506797512.db2.gz SAQWJVHLUJCVAY-CZUORRHYSA-N 2 2 357.845 3.072 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157725 506797520 /nfs/dbraw/zinc/79/75/20/506797520.db2.gz SAQWJVHLUJCVAY-CZUORRHYSA-N 2 2 357.845 3.072 20 30 FGEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000610583355 507306044 /nfs/dbraw/zinc/30/60/44/507306044.db2.gz UKOLGXIMUVNDLX-LBPRGKRZSA-N 2 2 369.494 3.038 20 30 FGEDLP C[C@H]1C[NH+](CCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[C@H](C)O1 ZINC000591659660 507326025 /nfs/dbraw/zinc/32/60/25/507326025.db2.gz NHDUPOLVKGIXIU-CDNGDFIJSA-N 2 2 355.526 3.479 20 30 FGEDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000595104665 507394569 /nfs/dbraw/zinc/39/45/69/507394569.db2.gz AXGCVLQNPDIHFI-DYESRHJHSA-N 2 2 366.484 3.164 20 30 FGEDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000595104665 507394578 /nfs/dbraw/zinc/39/45/78/507394578.db2.gz AXGCVLQNPDIHFI-DYESRHJHSA-N 2 2 366.484 3.164 20 30 FGEDLP C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611438898 507681996 /nfs/dbraw/zinc/68/19/96/507681996.db2.gz MAPWTXVYVCVLCX-FDDCHVKYSA-N 2 2 363.505 3.277 20 30 FGEDLP [NH2+]=C(NCCCNc1cccc[nH+]1)Nc1ccccc1OC(F)(F)F ZINC000160670266 705258696 /nfs/dbraw/zinc/25/86/96/705258696.db2.gz SQXPHDKHHFUYGO-UHFFFAOYSA-N 2 2 353.348 3.209 20 30 FGEDLP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000662798030 720459527 /nfs/dbraw/zinc/45/95/27/720459527.db2.gz PMNLICYMZSIWOB-ZHALLVOQSA-N 2 2 365.880 3.039 20 30 FGEDLP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000662798030 720459529 /nfs/dbraw/zinc/45/95/29/720459529.db2.gz PMNLICYMZSIWOB-ZHALLVOQSA-N 2 2 365.880 3.039 20 30 FGEDLP N#Cc1cnc(Cl)c(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000877007644 736174406 /nfs/dbraw/zinc/17/44/06/736174406.db2.gz ZKEZJMBNWHPZJH-KRWDZBQOSA-N 2 2 354.885 3.261 20 30 FGEDLP N#Cc1cnc(Cl)c(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000877007644 736174409 /nfs/dbraw/zinc/17/44/09/736174409.db2.gz ZKEZJMBNWHPZJH-KRWDZBQOSA-N 2 2 354.885 3.261 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)nc2N(C)C)CC1 ZINC000892880716 740053863 /nfs/dbraw/zinc/05/38/63/740053863.db2.gz GRCOQNDLCUWKRQ-UHFFFAOYSA-N 2 2 356.436 3.297 20 30 FGEDLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3csc(C#N)c3)cc2)CC1 ZINC000921538736 758738472 /nfs/dbraw/zinc/73/84/72/758738472.db2.gz BYAMVIHARXMSCZ-UHFFFAOYSA-N 2 2 354.523 3.047 20 30 FGEDLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)CC1 ZINC000580079799 505673880 /nfs/dbraw/zinc/67/38/80/505673880.db2.gz DFBIDTZUPYADOL-GOSISDBHSA-N 2 2 356.470 3.410 20 30 FGEDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)CC1 ZINC000580079799 505673883 /nfs/dbraw/zinc/67/38/83/505673883.db2.gz DFBIDTZUPYADOL-GOSISDBHSA-N 2 2 356.470 3.410 20 30 FGEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000568417077 505689507 /nfs/dbraw/zinc/68/95/07/505689507.db2.gz XPOMUXQHCQNCPU-UHFFFAOYSA-N 2 2 358.449 3.028 20 30 FGEDLP Cc1cccn2c(C[NH2+]C3CCC(Oc4ccc(C#N)cn4)CC3)c[nH+]c12 ZINC000092854196 494774501 /nfs/dbraw/zinc/77/45/01/494774501.db2.gz ADUYIIADTIEUSP-UHFFFAOYSA-N 2 2 361.449 3.389 20 30 FGEDLP N#Cc1ccc(NC(=O)CC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000109794553 494918893 /nfs/dbraw/zinc/91/88/93/494918893.db2.gz JDDVDZQJKWBIID-UHFFFAOYSA-N 2 2 357.845 3.074 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1C ZINC000109794527 494919205 /nfs/dbraw/zinc/91/92/05/494919205.db2.gz JNEYMCJNWJLIBA-UHFFFAOYSA-N 2 2 365.481 3.084 20 30 FGEDLP CC[NH+](CC)Cc1nc(C2([NH2+]Cc3ccc(C#N)cc3)CCCC2)no1 ZINC000124057308 495227549 /nfs/dbraw/zinc/22/75/49/495227549.db2.gz KRWGJTYWEFLFES-UHFFFAOYSA-N 2 2 353.470 3.342 20 30 FGEDLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1C#N ZINC000131090922 495490848 /nfs/dbraw/zinc/49/08/48/495490848.db2.gz WGUCGHPZSMGPEC-INIZCTEOSA-N 2 2 350.466 3.277 20 30 FGEDLP Cc1cc(C)n(CCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000181407268 496382245 /nfs/dbraw/zinc/38/22/45/496382245.db2.gz QNUKWHVAEFZIAV-UHFFFAOYSA-N 2 2 351.498 3.016 20 30 FGEDLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000181628952 496476059 /nfs/dbraw/zinc/47/60/59/496476059.db2.gz UUGWDSATFVPAPQ-IAGOWNOFSA-N 2 2 357.477 3.062 20 30 FGEDLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H]1n1cc[nH+]c1 ZINC000247696120 496907597 /nfs/dbraw/zinc/90/75/97/496907597.db2.gz TYIQZRMOAKFUPZ-NVXWUHKLSA-N 2 2 369.494 3.020 20 30 FGEDLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H]1n1cc[nH+]c1 ZINC000247696120 496907601 /nfs/dbraw/zinc/90/76/01/496907601.db2.gz TYIQZRMOAKFUPZ-NVXWUHKLSA-N 2 2 369.494 3.020 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000252652748 497315856 /nfs/dbraw/zinc/31/58/56/497315856.db2.gz FEJTWOIJRUQAAF-JENIJYKNSA-N 2 2 361.555 3.067 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000252652748 497315861 /nfs/dbraw/zinc/31/58/61/497315861.db2.gz FEJTWOIJRUQAAF-JENIJYKNSA-N 2 2 361.555 3.067 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000252652748 497315866 /nfs/dbraw/zinc/31/58/66/497315866.db2.gz FEJTWOIJRUQAAF-JENIJYKNSA-N 2 2 361.555 3.067 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000252652748 497315870 /nfs/dbraw/zinc/31/58/70/497315870.db2.gz FEJTWOIJRUQAAF-JENIJYKNSA-N 2 2 361.555 3.067 20 30 FGEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)c(F)c1 ZINC000271975766 497501796 /nfs/dbraw/zinc/50/17/96/497501796.db2.gz VMUXVZVULJTQSO-SAWYMBPVSA-N 2 2 367.468 3.231 20 30 FGEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(C#N)c(F)c1 ZINC000271975766 497501800 /nfs/dbraw/zinc/50/18/00/497501800.db2.gz VMUXVZVULJTQSO-SAWYMBPVSA-N 2 2 367.468 3.231 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246480623 497748811 /nfs/dbraw/zinc/74/88/11/497748811.db2.gz ADFDEEIIHUNZPP-ZACQAIPSSA-N 2 2 374.554 3.291 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246480623 497748812 /nfs/dbraw/zinc/74/88/12/497748812.db2.gz ADFDEEIIHUNZPP-ZACQAIPSSA-N 2 2 374.554 3.291 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246480623 497748816 /nfs/dbraw/zinc/74/88/16/497748816.db2.gz ADFDEEIIHUNZPP-ZACQAIPSSA-N 2 2 374.554 3.291 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246480623 497748820 /nfs/dbraw/zinc/74/88/20/497748820.db2.gz ADFDEEIIHUNZPP-ZACQAIPSSA-N 2 2 374.554 3.291 20 30 FGEDLP CC(C)[NH+]1CCN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CC1 ZINC000329573709 497833238 /nfs/dbraw/zinc/83/32/38/497833238.db2.gz AJUORACYOPTEBF-UHFFFAOYSA-N 2 2 367.497 3.458 20 30 FGEDLP COc1cc(NC(=O)[C@@H]2CCC[N@@H+]2C)ccc1NC(=O)[C@H]1CCC[NH+]1C ZINC000329713559 497877535 /nfs/dbraw/zinc/87/75/35/497877535.db2.gz RRKDQCRHLJWAKT-JKSUJKDBSA-N 2 2 360.458 3.060 20 30 FGEDLP COc1cc(NC(=O)[C@@H]2CCC[N@H+]2C)ccc1NC(=O)[C@H]1CCC[NH+]1C ZINC000329713559 497877537 /nfs/dbraw/zinc/87/75/37/497877537.db2.gz RRKDQCRHLJWAKT-JKSUJKDBSA-N 2 2 360.458 3.060 20 30 FGEDLP COc1cc(NC(=O)[C@@H]2CCC[NH+]2C)ccc1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000329713559 497877543 /nfs/dbraw/zinc/87/75/43/497877543.db2.gz RRKDQCRHLJWAKT-JKSUJKDBSA-N 2 2 360.458 3.060 20 30 FGEDLP COc1cc(NC(=O)[C@@H]2CCC[NH+]2C)ccc1NC(=O)[C@H]1CCC[N@H+]1C ZINC000329713559 497877547 /nfs/dbraw/zinc/87/75/47/497877547.db2.gz RRKDQCRHLJWAKT-JKSUJKDBSA-N 2 2 360.458 3.060 20 30 FGEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)CC1 ZINC000329834375 497919369 /nfs/dbraw/zinc/91/93/69/497919369.db2.gz UMRZEBJMHHZOJN-LJQANCHMSA-N 2 2 369.513 3.151 20 30 FGEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)CC1 ZINC000329834375 497919377 /nfs/dbraw/zinc/91/93/77/497919377.db2.gz UMRZEBJMHHZOJN-LJQANCHMSA-N 2 2 369.513 3.151 20 30 FGEDLP C[NH+](C)C1(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCCCCC1 ZINC000329912393 497949417 /nfs/dbraw/zinc/94/94/17/497949417.db2.gz WVFXJGSTORYNJX-GOSISDBHSA-N 2 2 360.502 3.103 20 30 FGEDLP C[N@@H+](CC#Cc1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364474266 497974846 /nfs/dbraw/zinc/97/48/46/497974846.db2.gz YCOKZCMXAWVZSZ-UHFFFAOYSA-N 3 2 353.554 3.166 20 30 FGEDLP C[C@@H]1C[C@H](NC([O-])=[NH+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC[N@@H+]1C ZINC000330241963 498076643 /nfs/dbraw/zinc/07/66/43/498076643.db2.gz FWZPDSCIIAVVJL-WSTLGDPDSA-N 2 2 367.497 3.098 20 30 FGEDLP C[C@@H]1C[C@H](NC([O-])=[NH+][C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC[N@H+]1C ZINC000330241963 498076647 /nfs/dbraw/zinc/07/66/47/498076647.db2.gz FWZPDSCIIAVVJL-WSTLGDPDSA-N 2 2 367.497 3.098 20 30 FGEDLP C[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC[N@@H+]1C ZINC000330241963 498076651 /nfs/dbraw/zinc/07/66/51/498076651.db2.gz FWZPDSCIIAVVJL-WSTLGDPDSA-N 2 2 367.497 3.098 20 30 FGEDLP C[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC[N@H+]1C ZINC000330241963 498076654 /nfs/dbraw/zinc/07/66/54/498076654.db2.gz FWZPDSCIIAVVJL-WSTLGDPDSA-N 2 2 367.497 3.098 20 30 FGEDLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC[N@@H+]1C ZINC000330241963 498076659 /nfs/dbraw/zinc/07/66/59/498076659.db2.gz FWZPDSCIIAVVJL-WSTLGDPDSA-N 2 2 367.497 3.098 20 30 FGEDLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC[N@H+]1C ZINC000330241963 498076663 /nfs/dbraw/zinc/07/66/63/498076663.db2.gz FWZPDSCIIAVVJL-WSTLGDPDSA-N 2 2 367.497 3.098 20 30 FGEDLP C[NH+](C)[C@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000330245606 498077170 /nfs/dbraw/zinc/07/71/70/498077170.db2.gz KTMFTODBSJWINO-INIZCTEOSA-N 2 2 365.547 3.091 20 30 FGEDLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)C1 ZINC000292983272 498222434 /nfs/dbraw/zinc/22/24/34/498222434.db2.gz NIGLYEYSOAINKK-FQEVSTJZSA-N 2 2 374.916 3.004 20 30 FGEDLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)C1 ZINC000292983272 498222437 /nfs/dbraw/zinc/22/24/37/498222437.db2.gz NIGLYEYSOAINKK-FQEVSTJZSA-N 2 2 374.916 3.004 20 30 FGEDLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)C1 ZINC000292983272 498222438 /nfs/dbraw/zinc/22/24/38/498222438.db2.gz NIGLYEYSOAINKK-FQEVSTJZSA-N 2 2 374.916 3.004 20 30 FGEDLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)C1 ZINC000292983272 498222439 /nfs/dbraw/zinc/22/24/39/498222439.db2.gz NIGLYEYSOAINKK-FQEVSTJZSA-N 2 2 374.916 3.004 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293072064 498257949 /nfs/dbraw/zinc/25/79/49/498257949.db2.gz VMTNGIVECQNHJL-YLJYHZDGSA-N 2 2 361.555 3.069 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293072064 498257954 /nfs/dbraw/zinc/25/79/54/498257954.db2.gz VMTNGIVECQNHJL-YLJYHZDGSA-N 2 2 361.555 3.069 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293072064 498257962 /nfs/dbraw/zinc/25/79/62/498257962.db2.gz VMTNGIVECQNHJL-YLJYHZDGSA-N 2 2 361.555 3.069 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293072064 498257967 /nfs/dbraw/zinc/25/79/67/498257967.db2.gz VMTNGIVECQNHJL-YLJYHZDGSA-N 2 2 361.555 3.069 20 30 FGEDLP COc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1C#N ZINC000282407104 498499196 /nfs/dbraw/zinc/49/91/96/498499196.db2.gz SAQZYCMMHFAXAD-UHFFFAOYSA-N 2 2 364.493 3.101 20 30 FGEDLP COc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1C#N ZINC000282407104 498499204 /nfs/dbraw/zinc/49/92/04/498499204.db2.gz SAQZYCMMHFAXAD-UHFFFAOYSA-N 2 2 364.493 3.101 20 30 FGEDLP O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328763453 498930438 /nfs/dbraw/zinc/93/04/38/498930438.db2.gz OFSYEKVMTBGSCE-UHFFFAOYSA-N 2 2 359.518 3.158 20 30 FGEDLP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000329254508 499084842 /nfs/dbraw/zinc/08/48/42/499084842.db2.gz WWCOSJRMOLUOEY-MRXNPFEDSA-N 2 2 371.485 3.252 20 30 FGEDLP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000329254508 499084849 /nfs/dbraw/zinc/08/48/49/499084849.db2.gz WWCOSJRMOLUOEY-MRXNPFEDSA-N 2 2 371.485 3.252 20 30 FGEDLP Cc1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329369453 499110192 /nfs/dbraw/zinc/11/01/92/499110192.db2.gz IHJPXMDVVCIJIL-FUHWJXTLSA-N 2 2 357.502 3.094 20 30 FGEDLP Cc1cc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329369453 499110196 /nfs/dbraw/zinc/11/01/96/499110196.db2.gz IHJPXMDVVCIJIL-FUHWJXTLSA-N 2 2 357.502 3.094 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCOc3ccccc3C#N)[C@@H](C)C2)s1 ZINC000368965419 499351269 /nfs/dbraw/zinc/35/12/69/499351269.db2.gz KKICXHCVWDVBPG-HNAYVOBHSA-N 2 2 370.522 3.202 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCOc3ccccc3C#N)[C@@H](C)C2)s1 ZINC000368965419 499351270 /nfs/dbraw/zinc/35/12/70/499351270.db2.gz KKICXHCVWDVBPG-HNAYVOBHSA-N 2 2 370.522 3.202 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CC#Cc3ccc(F)cc3)[C@H](C)C2)s1 ZINC000375505141 499526595 /nfs/dbraw/zinc/52/65/95/499526595.db2.gz ANSAARNSHRGXQN-FOIQADDNSA-N 2 2 357.498 3.442 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CC#Cc3ccc(F)cc3)[C@H](C)C2)s1 ZINC000375505141 499526596 /nfs/dbraw/zinc/52/65/96/499526596.db2.gz ANSAARNSHRGXQN-FOIQADDNSA-N 2 2 357.498 3.442 20 30 FGEDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000377080953 499660205 /nfs/dbraw/zinc/66/02/05/499660205.db2.gz GVUIVGIRPQASAR-HLAWJBBLSA-N 2 2 351.498 3.416 20 30 FGEDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)c1ccc(C#N)cc1 ZINC000377080953 499660206 /nfs/dbraw/zinc/66/02/06/499660206.db2.gz GVUIVGIRPQASAR-HLAWJBBLSA-N 2 2 351.498 3.416 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1OC ZINC000415055321 499858933 /nfs/dbraw/zinc/85/89/33/499858933.db2.gz OIFXCUALWCPGEC-OAHLLOKOSA-N 2 2 371.319 3.486 20 30 FGEDLP C=CC[C@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422019326 500199547 /nfs/dbraw/zinc/19/95/47/500199547.db2.gz LLXDXZUVBVOGGI-QFIPXVFZSA-N 2 2 369.553 3.365 20 30 FGEDLP C=CC[C@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000422019326 500199549 /nfs/dbraw/zinc/19/95/49/500199549.db2.gz LLXDXZUVBVOGGI-QFIPXVFZSA-N 2 2 369.553 3.365 20 30 FGEDLP C=CCOc1cccc(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435434055 500975503 /nfs/dbraw/zinc/97/55/03/500975503.db2.gz WBDDJZLTKMGQCG-FQEVSTJZSA-N 2 2 366.509 3.129 20 30 FGEDLP C=CCOc1cccc(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435434055 500975506 /nfs/dbraw/zinc/97/55/06/500975506.db2.gz WBDDJZLTKMGQCG-FQEVSTJZSA-N 2 2 366.509 3.129 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)C(C)C ZINC000457754690 501301829 /nfs/dbraw/zinc/30/18/29/501301829.db2.gz RQOJTGJDLZRGJL-QZTJIDSGSA-N 2 2 373.545 3.211 20 30 FGEDLP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000459482071 501661260 /nfs/dbraw/zinc/66/12/60/501661260.db2.gz QUPROWXBBVHZMA-UKAVVXHISA-N 2 2 352.482 3.259 20 30 FGEDLP COC(=O)c1csc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000602708944 506268395 /nfs/dbraw/zinc/26/83/95/506268395.db2.gz ZQQHUUCQCHCSTO-UHFFFAOYSA-N 2 2 369.490 3.161 20 30 FGEDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471004512 501887916 /nfs/dbraw/zinc/88/79/16/501887916.db2.gz HVQOTIVOPLVARY-WOJBJXKFSA-N 2 2 360.933 3.397 20 30 FGEDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000471004512 501887922 /nfs/dbraw/zinc/88/79/22/501887922.db2.gz HVQOTIVOPLVARY-WOJBJXKFSA-N 2 2 360.933 3.397 20 30 FGEDLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000464786174 502095201 /nfs/dbraw/zinc/09/52/01/502095201.db2.gz VVJZRYNHKMQEGI-UXHICEINSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000464786174 502095205 /nfs/dbraw/zinc/09/52/05/502095205.db2.gz VVJZRYNHKMQEGI-UXHICEINSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000464786174 502095208 /nfs/dbraw/zinc/09/52/08/502095208.db2.gz VVJZRYNHKMQEGI-UXHICEINSA-N 2 2 370.541 3.212 20 30 FGEDLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 ZINC000464786174 502095211 /nfs/dbraw/zinc/09/52/11/502095211.db2.gz VVJZRYNHKMQEGI-UXHICEINSA-N 2 2 370.541 3.212 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1OCC ZINC000470013648 502630322 /nfs/dbraw/zinc/63/03/22/502630322.db2.gz PLMWXXSVRULHCG-CYBMUJFWSA-N 2 2 369.303 3.193 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1OCC ZINC000470013648 502630327 /nfs/dbraw/zinc/63/03/27/502630327.db2.gz PLMWXXSVRULHCG-CYBMUJFWSA-N 2 2 369.303 3.193 20 30 FGEDLP C=CC[N@H+](Cc1cccc2[nH+]ccn21)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000540481560 503785254 /nfs/dbraw/zinc/78/52/54/503785254.db2.gz CDFRVGKEDYGEQI-INIZCTEOSA-N 2 2 359.437 3.059 20 30 FGEDLP C=CC[N@@H+](Cc1cccc2[nH+]ccn21)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000540481560 503785259 /nfs/dbraw/zinc/78/52/59/503785259.db2.gz CDFRVGKEDYGEQI-INIZCTEOSA-N 2 2 359.437 3.059 20 30 FGEDLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]1SC ZINC000593695350 506735787 /nfs/dbraw/zinc/73/57/87/506735787.db2.gz LRQGIWDIKCOKGI-VAMGGRTRSA-N 2 2 359.539 3.021 20 30 FGEDLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]1SC ZINC000593695349 506736871 /nfs/dbraw/zinc/73/68/71/506736871.db2.gz LRQGIWDIKCOKGI-AQNXPRMDSA-N 2 2 359.539 3.021 20 30 FGEDLP CCOC(=O)c1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000593702370 506739504 /nfs/dbraw/zinc/73/95/04/506739504.db2.gz LTVHJRRLBFTSPK-UHFFFAOYSA-N 2 2 367.449 3.082 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609157497 506797456 /nfs/dbraw/zinc/79/74/56/506797456.db2.gz WQVFBSHUCOFLIJ-LJQANCHMSA-N 2 2 365.481 3.084 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609157497 506797465 /nfs/dbraw/zinc/79/74/65/506797465.db2.gz WQVFBSHUCOFLIJ-LJQANCHMSA-N 2 2 365.481 3.084 20 30 FGEDLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000600209605 506847582 /nfs/dbraw/zinc/84/75/82/506847582.db2.gz WCXLVYIQZVATDP-UHFFFAOYSA-N 2 2 371.525 3.446 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000594518515 507166952 /nfs/dbraw/zinc/16/69/52/507166952.db2.gz HFROKPQRPVMMRD-FCHUYYIVSA-N 2 2 352.526 3.129 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000594518515 507166961 /nfs/dbraw/zinc/16/69/61/507166961.db2.gz HFROKPQRPVMMRD-FCHUYYIVSA-N 2 2 352.526 3.129 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CO)c3ccc(F)cc3F)CC2)cc1 ZINC000594995569 507346647 /nfs/dbraw/zinc/34/66/47/507346647.db2.gz NMTBEFIUUZULHZ-NRFANRHFSA-N 2 2 371.431 3.124 20 30 FGEDLP N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)c1 ZINC000610995348 507473556 /nfs/dbraw/zinc/47/35/56/507473556.db2.gz WGLZBFPXVYNGJZ-PKOBYXMFSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)c1 ZINC000610995348 507473561 /nfs/dbraw/zinc/47/35/61/507473561.db2.gz WGLZBFPXVYNGJZ-PKOBYXMFSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1cccc(-c2nnc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)o2)c1 ZINC000610995348 507473564 /nfs/dbraw/zinc/47/35/64/507473564.db2.gz WGLZBFPXVYNGJZ-PKOBYXMFSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1cccc(-c2nnc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)o2)c1 ZINC000610995348 507473571 /nfs/dbraw/zinc/47/35/71/507473571.db2.gz WGLZBFPXVYNGJZ-PKOBYXMFSA-N 2 2 363.465 3.057 20 30 FGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595629117 507602201 /nfs/dbraw/zinc/60/22/01/507602201.db2.gz CKZMKAHVMGCPMF-UHFFFAOYSA-N 2 2 363.490 3.436 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180488813 705742530 /nfs/dbraw/zinc/74/25/30/705742530.db2.gz PZHBVGDQQHSGLL-FUHWJXTLSA-N 2 2 351.535 3.310 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209985 713905472 /nfs/dbraw/zinc/90/54/72/713905472.db2.gz SFSVVKLTGKGRFL-OAHLLOKOSA-N 2 2 358.511 3.254 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000751942223 722836601 /nfs/dbraw/zinc/83/66/01/722836601.db2.gz QIJVRRQMRKRGIR-DLBZAZTESA-N 2 2 363.575 3.316 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CC[C@H](C)[C@H]2C)c1=S ZINC000751942223 722836603 /nfs/dbraw/zinc/83/66/03/722836603.db2.gz QIJVRRQMRKRGIR-DLBZAZTESA-N 2 2 363.575 3.316 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000768215869 723650636 /nfs/dbraw/zinc/65/06/36/723650636.db2.gz CSNUJJMIOLVZTK-MRXNPFEDSA-N 2 2 351.535 3.262 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000788247352 725052707 /nfs/dbraw/zinc/05/27/07/725052707.db2.gz HQQAAEDRLZJUPQ-ZWKOTPCHSA-N 2 2 351.535 3.452 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)CC1 ZINC000892880790 740054103 /nfs/dbraw/zinc/05/41/03/740054103.db2.gz JNEFIDPSZKOIJQ-BZUAXINKSA-N 2 2 362.436 3.137 20 30 FGEDLP C[C@H]1C[C@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccccc2)CC[N@@H+]1C ZINC000093643848 494907417 /nfs/dbraw/zinc/90/74/17/494907417.db2.gz FHFGLNHQGDNPOW-FXAWDEMLSA-N 2 2 351.498 3.378 20 30 FGEDLP C[C@H]1C[C@H]([NH+](C)Cc2cn(CCC#N)nc2-c2ccccc2)CC[N@H+]1C ZINC000093643848 494907418 /nfs/dbraw/zinc/90/74/18/494907418.db2.gz FHFGLNHQGDNPOW-FXAWDEMLSA-N 2 2 351.498 3.378 20 30 FGEDLP C[C@H]1C[C@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)CC[NH+]1C ZINC000093643848 494907419 /nfs/dbraw/zinc/90/74/19/494907419.db2.gz FHFGLNHQGDNPOW-FXAWDEMLSA-N 2 2 351.498 3.378 20 30 FGEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)CC[NH+]1C ZINC000093643848 494907420 /nfs/dbraw/zinc/90/74/20/494907420.db2.gz FHFGLNHQGDNPOW-FXAWDEMLSA-N 2 2 351.498 3.378 20 30 FGEDLP CC(C)c1nnc(CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)o1 ZINC000136641543 495392087 /nfs/dbraw/zinc/39/20/87/495392087.db2.gz CXGSRTIXHTYHLJ-UHFFFAOYSA-N 2 2 357.458 3.016 20 30 FGEDLP Cc1sc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)c1C ZINC000185754599 495713055 /nfs/dbraw/zinc/71/30/55/495713055.db2.gz AZFBOWHFVLZUSP-GOEBONIOSA-N 2 2 374.554 3.418 20 30 FGEDLP Cc1sc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000185754599 495713059 /nfs/dbraw/zinc/71/30/59/495713059.db2.gz AZFBOWHFVLZUSP-GOEBONIOSA-N 2 2 374.554 3.418 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000177910713 496248534 /nfs/dbraw/zinc/24/85/34/496248534.db2.gz SCCSTONXJQPYCM-INIZCTEOSA-N 2 2 363.933 3.317 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157404805 496470316 /nfs/dbraw/zinc/47/03/16/496470316.db2.gz OGROPHRRHYSAGQ-QAPCUYQASA-N 2 2 374.916 3.489 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157404805 496470325 /nfs/dbraw/zinc/47/03/25/496470325.db2.gz OGROPHRRHYSAGQ-QAPCUYQASA-N 2 2 374.916 3.489 20 30 FGEDLP C[C@@H](C[C@H](O)c1ccco1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181912971 496597339 /nfs/dbraw/zinc/59/73/39/496597339.db2.gz BGVSUSSLMPPEKL-JXFKEZNVSA-N 2 2 353.466 3.217 20 30 FGEDLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000191469903 496774000 /nfs/dbraw/zinc/77/40/00/496774000.db2.gz QBLCDXHPJVCONE-UHFFFAOYSA-N 2 2 373.888 3.321 20 30 FGEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000191469903 496774005 /nfs/dbraw/zinc/77/40/05/496774005.db2.gz QBLCDXHPJVCONE-UHFFFAOYSA-N 2 2 373.888 3.321 20 30 FGEDLP C[NH+](C)C1CCN(c2ccc(NCc3c(F)cc(C#N)cc3F)[nH+]c2)CC1 ZINC000278766780 497213699 /nfs/dbraw/zinc/21/36/99/497213699.db2.gz NZWKOFJKHJEUGU-UHFFFAOYSA-N 2 2 371.435 3.374 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000271863463 497473395 /nfs/dbraw/zinc/47/33/95/497473395.db2.gz KXRMRXCHAADBOM-XMMPIXPASA-N 2 2 374.532 3.387 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC(N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000271863463 497473397 /nfs/dbraw/zinc/47/33/97/497473397.db2.gz KXRMRXCHAADBOM-XMMPIXPASA-N 2 2 374.532 3.387 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC000271863463 497473403 /nfs/dbraw/zinc/47/34/03/497473403.db2.gz KXRMRXCHAADBOM-XMMPIXPASA-N 2 2 374.532 3.387 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3OCCc4ccccc43)CC2)cc1 ZINC000362041319 498457623 /nfs/dbraw/zinc/45/76/23/498457623.db2.gz RQTYATIGHGLLQN-HSZRJFAPSA-N 2 2 361.489 3.426 20 30 FGEDLP C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000328656771 498891181 /nfs/dbraw/zinc/89/11/81/498891181.db2.gz ODBSEGCBCGQYRI-MGPUTAFESA-N 2 2 355.486 3.048 20 30 FGEDLP C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000328656771 498891187 /nfs/dbraw/zinc/89/11/87/498891187.db2.gz ODBSEGCBCGQYRI-MGPUTAFESA-N 2 2 355.486 3.048 20 30 FGEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3coc(C4CCCC4)n3)CC2)CC1 ZINC000328676956 498898972 /nfs/dbraw/zinc/89/89/72/498898972.db2.gz AIBDDNQQYBYIJV-UHFFFAOYSA-N 2 2 360.502 3.195 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000328863424 498966343 /nfs/dbraw/zinc/96/63/43/498966343.db2.gz MHOMRFHSWFLRJS-NXHRZFHOSA-N 2 2 369.513 3.206 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000328863424 498966349 /nfs/dbraw/zinc/96/63/49/498966349.db2.gz MHOMRFHSWFLRJS-NXHRZFHOSA-N 2 2 369.513 3.206 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000328863424 498966354 /nfs/dbraw/zinc/96/63/54/498966354.db2.gz MHOMRFHSWFLRJS-NXHRZFHOSA-N 2 2 369.513 3.206 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C([O-])=[NH+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000328863424 498966360 /nfs/dbraw/zinc/96/63/60/498966360.db2.gz MHOMRFHSWFLRJS-NXHRZFHOSA-N 2 2 369.513 3.206 20 30 FGEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(F)c(C#N)c1 ZINC000363947805 499062712 /nfs/dbraw/zinc/06/27/12/499062712.db2.gz XTUZWIQLAUWZFM-UHFFFAOYSA-N 3 2 372.532 3.325 20 30 FGEDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(F)c(C#N)c1 ZINC000363947805 499062718 /nfs/dbraw/zinc/06/27/18/499062718.db2.gz XTUZWIQLAUWZFM-UHFFFAOYSA-N 3 2 372.532 3.325 20 30 FGEDLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000329219911 499075497 /nfs/dbraw/zinc/07/54/97/499075497.db2.gz BCALOVQCXSIELG-ROUUACIJSA-N 2 2 374.529 3.170 20 30 FGEDLP C[C@@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)c[nH+]2)C[C@@H](C)O1 ZINC000329236979 499080557 /nfs/dbraw/zinc/08/05/57/499080557.db2.gz JXSXEDBCTCWLOS-LMMKCTJWSA-N 2 2 374.529 3.416 20 30 FGEDLP C[C@@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CCCC[N@H+]3C)c[nH+]2)C[C@@H](C)O1 ZINC000329236979 499080561 /nfs/dbraw/zinc/08/05/61/499080561.db2.gz JXSXEDBCTCWLOS-LMMKCTJWSA-N 2 2 374.529 3.416 20 30 FGEDLP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000329254507 499084424 /nfs/dbraw/zinc/08/44/24/499084424.db2.gz WWCOSJRMOLUOEY-INIZCTEOSA-N 2 2 371.485 3.252 20 30 FGEDLP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000329254507 499084427 /nfs/dbraw/zinc/08/44/27/499084427.db2.gz WWCOSJRMOLUOEY-INIZCTEOSA-N 2 2 371.485 3.252 20 30 FGEDLP C[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[NH+]1CCOCC1 ZINC000329432883 499120900 /nfs/dbraw/zinc/12/09/00/499120900.db2.gz IUXDXSMYNYXAFZ-SJLPKXTDSA-N 2 2 374.529 3.170 20 30 FGEDLP N#Cc1c(F)ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1Cl ZINC000368460880 499298174 /nfs/dbraw/zinc/29/81/74/499298174.db2.gz FVAXOWBHFXJGHQ-UHFFFAOYSA-N 2 2 358.848 3.500 20 30 FGEDLP C=CCC[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372422704 499433044 /nfs/dbraw/zinc/43/30/44/499433044.db2.gz RYDYHKFUXVNYTD-PZJWPPBQSA-N 2 2 355.526 3.021 20 30 FGEDLP C=CCC[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372422704 499433046 /nfs/dbraw/zinc/43/30/46/499433046.db2.gz RYDYHKFUXVNYTD-PZJWPPBQSA-N 2 2 355.526 3.021 20 30 FGEDLP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]2CCCO[C@H]21 ZINC000373184051 499455987 /nfs/dbraw/zinc/45/59/87/499455987.db2.gz BOVBWBOADFDKNU-PWRODBHTSA-N 2 2 353.510 3.316 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000429538201 500096219 /nfs/dbraw/zinc/09/62/19/500096219.db2.gz GVLLOYNXXWBLRL-WOJBJXKFSA-N 2 2 370.541 3.355 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000429538201 500096222 /nfs/dbraw/zinc/09/62/22/500096222.db2.gz GVLLOYNXXWBLRL-WOJBJXKFSA-N 2 2 370.541 3.355 20 30 FGEDLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000419299319 500351212 /nfs/dbraw/zinc/35/12/12/500351212.db2.gz YJBFQKZTZJOOPB-MRXNPFEDSA-N 2 2 372.488 3.067 20 30 FGEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444210851 500818105 /nfs/dbraw/zinc/81/81/05/500818105.db2.gz IDJHUDMIKLBAAS-FGNUKQJGSA-N 2 2 374.573 3.114 20 30 FGEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444210851 500818108 /nfs/dbraw/zinc/81/81/08/500818108.db2.gz IDJHUDMIKLBAAS-FGNUKQJGSA-N 2 2 374.573 3.114 20 30 FGEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(CC#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000434745935 500888437 /nfs/dbraw/zinc/88/84/37/500888437.db2.gz LRWAXLNETBQAJU-RBBKRZOGSA-N 2 2 365.525 3.391 20 30 FGEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(CC#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000434745935 500888439 /nfs/dbraw/zinc/88/84/39/500888439.db2.gz LRWAXLNETBQAJU-RBBKRZOGSA-N 2 2 365.525 3.391 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(CC#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000434745935 500888442 /nfs/dbraw/zinc/88/84/42/500888442.db2.gz LRWAXLNETBQAJU-RBBKRZOGSA-N 2 2 365.525 3.391 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(CC#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000434745935 500888444 /nfs/dbraw/zinc/88/84/44/500888444.db2.gz LRWAXLNETBQAJU-RBBKRZOGSA-N 2 2 365.525 3.391 20 30 FGEDLP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000449392583 500991943 /nfs/dbraw/zinc/99/19/43/500991943.db2.gz JMHVPTMTZBNATF-QHCPKHFHSA-N 2 2 363.505 3.370 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)C(C)C ZINC000457754691 501301746 /nfs/dbraw/zinc/30/17/46/501301746.db2.gz RQOJTGJDLZRGJL-ROUUACIJSA-N 2 2 373.545 3.211 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000482896906 502210485 /nfs/dbraw/zinc/21/04/85/502210485.db2.gz IMWGVAHIZSEYGJ-NRFANRHFSA-N 2 2 373.460 3.080 20 30 FGEDLP C=CC[N@@H+](CCc1ccco1)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491285420 503293931 /nfs/dbraw/zinc/29/39/31/503293931.db2.gz SWSOTPNXHVDTBK-GOSISDBHSA-N 2 2 353.466 3.338 20 30 FGEDLP C=CC[N@H+](CCc1ccco1)C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000491285420 503293934 /nfs/dbraw/zinc/29/39/34/503293934.db2.gz SWSOTPNXHVDTBK-GOSISDBHSA-N 2 2 353.466 3.338 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512292607 503511137 /nfs/dbraw/zinc/51/11/37/503511137.db2.gz QHUZFCGRMXHNGN-REWPJTCUSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512292607 503511138 /nfs/dbraw/zinc/51/11/38/503511138.db2.gz QHUZFCGRMXHNGN-REWPJTCUSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512292607 503511142 /nfs/dbraw/zinc/51/11/42/503511142.db2.gz QHUZFCGRMXHNGN-REWPJTCUSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512292607 503511147 /nfs/dbraw/zinc/51/11/47/503511147.db2.gz QHUZFCGRMXHNGN-REWPJTCUSA-N 2 2 367.537 3.174 20 30 FGEDLP C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000565047090 504780575 /nfs/dbraw/zinc/78/05/75/504780575.db2.gz NKBYASNYJDUSDF-LJQANCHMSA-N 2 2 364.449 3.420 20 30 FGEDLP C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000565047090 504780579 /nfs/dbraw/zinc/78/05/79/504780579.db2.gz NKBYASNYJDUSDF-LJQANCHMSA-N 2 2 364.449 3.420 20 30 FGEDLP C[NH+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000565047090 504780583 /nfs/dbraw/zinc/78/05/83/504780583.db2.gz NKBYASNYJDUSDF-LJQANCHMSA-N 2 2 364.449 3.420 20 30 FGEDLP C[NH+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000565047090 504780586 /nfs/dbraw/zinc/78/05/86/504780586.db2.gz NKBYASNYJDUSDF-LJQANCHMSA-N 2 2 364.449 3.420 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+](C)C2(C[NH3+])CCC2)cc1OC ZINC000564656569 505484049 /nfs/dbraw/zinc/48/40/49/505484049.db2.gz LEMFSSXWNFKMDC-UHFFFAOYSA-N 2 2 369.303 3.336 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1OC ZINC000564656569 505484052 /nfs/dbraw/zinc/48/40/52/505484052.db2.gz LEMFSSXWNFKMDC-UHFFFAOYSA-N 2 2 369.303 3.336 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1cn2cc(C)ccc2[nH+]1)C(C)C ZINC000555860875 505528900 /nfs/dbraw/zinc/52/89/00/505528900.db2.gz QBNACIHFTQJRIY-IBGZPJMESA-N 2 2 369.513 3.141 20 30 FGEDLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)COc1ccccc1C#N)c1ccccc1 ZINC000600722506 507082473 /nfs/dbraw/zinc/08/24/73/507082473.db2.gz QRTJMOPEEAABNB-PXNSSMCTSA-N 2 2 367.493 3.017 20 30 FGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000584261613 507242179 /nfs/dbraw/zinc/24/21/79/507242179.db2.gz NCFAATZJAUTIOD-GGAORHGYSA-N 2 2 361.489 3.426 20 30 FGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000584261613 507242187 /nfs/dbraw/zinc/24/21/87/507242187.db2.gz NCFAATZJAUTIOD-GGAORHGYSA-N 2 2 361.489 3.426 20 30 FGEDLP N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)c1 ZINC000610995345 507473360 /nfs/dbraw/zinc/47/33/60/507473360.db2.gz WGLZBFPXVYNGJZ-HKUYNNGSSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)c1 ZINC000610995345 507473365 /nfs/dbraw/zinc/47/33/65/507473365.db2.gz WGLZBFPXVYNGJZ-HKUYNNGSSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1cccc(-c2nnc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)o2)c1 ZINC000610995345 507473369 /nfs/dbraw/zinc/47/33/69/507473369.db2.gz WGLZBFPXVYNGJZ-HKUYNNGSSA-N 2 2 363.465 3.057 20 30 FGEDLP N#Cc1cccc(-c2nnc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)o2)c1 ZINC000610995345 507473377 /nfs/dbraw/zinc/47/33/77/507473377.db2.gz WGLZBFPXVYNGJZ-HKUYNNGSSA-N 2 2 363.465 3.057 20 30 FGEDLP C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000090720240 700407213 /nfs/dbraw/zinc/40/72/13/700407213.db2.gz KULZJTQXRNTQKI-BBRMVZONSA-N 2 2 351.288 3.033 20 30 FGEDLP C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000090720240 700407216 /nfs/dbraw/zinc/40/72/16/700407216.db2.gz KULZJTQXRNTQKI-BBRMVZONSA-N 2 2 351.288 3.033 20 30 FGEDLP C[NH+]=C(NCC(C)(C)c1cccs1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261976557 713716719 /nfs/dbraw/zinc/71/67/19/713716719.db2.gz NTRVNHFGTBFJLG-JKSUJKDBSA-N 2 2 359.543 3.381 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOC3CCSCC3)CC2)cc1 ZINC000898440929 742794933 /nfs/dbraw/zinc/79/49/33/742794933.db2.gz WBCJZAFZKBUCSK-UHFFFAOYSA-N 2 2 359.539 3.024 20 30 FGEDLP C[C@]1(C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC[NH2+]C1 ZINC000904427905 743954496 /nfs/dbraw/zinc/95/44/96/743954496.db2.gz AEFZLIQAUJPGHG-GUBZILKMSA-N 2 2 366.296 3.089 20 30 FGEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806720 494464789 /nfs/dbraw/zinc/46/47/89/494464789.db2.gz DTSDOCSKUDTWQI-SFHVURJKSA-N 2 2 368.525 3.473 20 30 FGEDLP C[NH+]1CCC(CNc2snc(Cl)c2C#N)([NH+]2CCCCC2)CC1 ZINC000092657957 494700352 /nfs/dbraw/zinc/70/03/52/494700352.db2.gz DZPBEZLVCRIYAD-UHFFFAOYSA-N 2 2 353.923 3.030 20 30 FGEDLP CC(C)(CCC#N)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000092669050 494705123 /nfs/dbraw/zinc/70/51/23/494705123.db2.gz JRXAVHPNVAZACZ-HXUWFJFHSA-N 2 2 369.557 3.246 20 30 FGEDLP CC(C)(CCC#N)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000092669050 494705127 /nfs/dbraw/zinc/70/51/27/494705127.db2.gz JRXAVHPNVAZACZ-HXUWFJFHSA-N 2 2 369.557 3.246 20 30 FGEDLP N#Cc1ccc2[nH+]cc(CNc3ccccc3OCCn3cc[nH+]c3)n2c1 ZINC000092158230 494801616 /nfs/dbraw/zinc/80/16/16/494801616.db2.gz AHDWCSPIBVKCSW-UHFFFAOYSA-N 2 2 358.405 3.094 20 30 FGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000093663900 494910437 /nfs/dbraw/zinc/91/04/37/494910437.db2.gz MAAUDUGHKHDEPF-KRWDZBQOSA-N 2 2 350.890 3.059 20 30 FGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000093663900 494910441 /nfs/dbraw/zinc/91/04/41/494910441.db2.gz MAAUDUGHKHDEPF-KRWDZBQOSA-N 2 2 350.890 3.059 20 30 FGEDLP CC[N@H+](CCOCCC#N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000574417403 505768627 /nfs/dbraw/zinc/76/86/27/505768627.db2.gz GRGLCVTUNIXQAN-UHFFFAOYSA-N 2 2 359.518 3.129 20 30 FGEDLP CC[N@@H+](CCOCCC#N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000574417403 505768630 /nfs/dbraw/zinc/76/86/30/505768630.db2.gz GRGLCVTUNIXQAN-UHFFFAOYSA-N 2 2 359.518 3.129 20 30 FGEDLP Cc1sc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)c1C ZINC000185754658 495712723 /nfs/dbraw/zinc/71/27/23/495712723.db2.gz AZFBOWHFVLZUSP-ZBFHGGJFSA-N 2 2 374.554 3.418 20 30 FGEDLP Cc1sc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000185754658 495712727 /nfs/dbraw/zinc/71/27/27/495712727.db2.gz AZFBOWHFVLZUSP-ZBFHGGJFSA-N 2 2 374.554 3.418 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc3ccc(Br)cn23)CC1 ZINC000174363561 495928496 /nfs/dbraw/zinc/92/84/96/495928496.db2.gz FXPPJIFLKRJDIM-UHFFFAOYSA-N 2 2 363.303 3.227 20 30 FGEDLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)C[C@H](C)O1 ZINC000160982647 496078913 /nfs/dbraw/zinc/07/89/13/496078913.db2.gz IDTQNELPJOWVEY-IRXDYDNUSA-N 2 2 359.489 3.409 20 30 FGEDLP C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000161728980 496229019 /nfs/dbraw/zinc/22/90/19/496229019.db2.gz KAHVOVQFRUVKJQ-QGZVFWFLSA-N 2 2 372.476 3.459 20 30 FGEDLP C[NH+](C)Cc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181438781 496395604 /nfs/dbraw/zinc/39/56/04/496395604.db2.gz QPPGZCRWIYWSAR-UHFFFAOYSA-N 3 2 362.521 3.374 20 30 FGEDLP CCCOc1ncccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181580981 496455359 /nfs/dbraw/zinc/45/53/59/496455359.db2.gz WQQVGUAMRBRRDR-UHFFFAOYSA-N 2 2 364.493 3.496 20 30 FGEDLP COc1ccc(F)cc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000187592782 496502655 /nfs/dbraw/zinc/50/26/55/496502655.db2.gz DKLMNOOYAFUCED-UHFFFAOYSA-N 2 2 353.441 3.460 20 30 FGEDLP Cc1cccc2nc(C[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)cn21 ZINC000181732059 496522612 /nfs/dbraw/zinc/52/26/12/496522612.db2.gz YLCKNEXJNRGFIG-UHFFFAOYSA-N 2 2 359.477 3.269 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC[C@H]3n3cccn3)CC2)cc1 ZINC000181846906 496569993 /nfs/dbraw/zinc/56/99/93/496569993.db2.gz WMKSEFSINQFMFA-FCHUYYIVSA-N 2 2 363.509 3.493 20 30 FGEDLP C[C@@H](C[C@@H](O)c1ccco1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181913009 496597604 /nfs/dbraw/zinc/59/76/04/496597604.db2.gz BGVSUSSLMPPEKL-OXJNMPFZSA-N 2 2 353.466 3.217 20 30 FGEDLP C[C@H]1C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC[N@@H+]1Cc1ccccc1 ZINC000175977738 496627916 /nfs/dbraw/zinc/62/79/16/496627916.db2.gz GQAZGKSXHYDPJD-FXAWDEMLSA-N 2 2 359.477 3.349 20 30 FGEDLP C[C@H]1C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC[N@H+]1Cc1ccccc1 ZINC000175977738 496627920 /nfs/dbraw/zinc/62/79/20/496627920.db2.gz GQAZGKSXHYDPJD-FXAWDEMLSA-N 2 2 359.477 3.349 20 30 FGEDLP CCc1nn(C)c(CC)c1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182073500 496659622 /nfs/dbraw/zinc/65/96/22/496659622.db2.gz TVFSWGAQJZDPAY-UHFFFAOYSA-N 2 2 365.525 3.171 20 30 FGEDLP Cc1nn(C)c(C)c1CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182109211 496673093 /nfs/dbraw/zinc/67/30/93/496673093.db2.gz GQLSSTZAVBTPKO-UHFFFAOYSA-N 2 2 365.525 3.095 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247189544 496801777 /nfs/dbraw/zinc/80/17/77/496801777.db2.gz VFKDEEYZSROHQC-WOJBJXKFSA-N 2 2 368.525 3.272 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247189544 496801779 /nfs/dbraw/zinc/80/17/79/496801779.db2.gz VFKDEEYZSROHQC-WOJBJXKFSA-N 2 2 368.525 3.272 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248009117 496942948 /nfs/dbraw/zinc/94/29/48/496942948.db2.gz LCJIDRROAJSZCW-IRFCIJBXSA-N 2 2 368.525 3.046 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248009117 496942952 /nfs/dbraw/zinc/94/29/52/496942952.db2.gz LCJIDRROAJSZCW-IRFCIJBXSA-N 2 2 368.525 3.046 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248009117 496942957 /nfs/dbraw/zinc/94/29/57/496942957.db2.gz LCJIDRROAJSZCW-IRFCIJBXSA-N 2 2 368.525 3.046 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248009117 496942959 /nfs/dbraw/zinc/94/29/59/496942959.db2.gz LCJIDRROAJSZCW-IRFCIJBXSA-N 2 2 368.525 3.046 20 30 FGEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000251537364 497276840 /nfs/dbraw/zinc/27/68/40/497276840.db2.gz BEMBFKDBTWMBHQ-UYAOXDASSA-N 2 2 368.525 3.329 20 30 FGEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000251537364 497276846 /nfs/dbraw/zinc/27/68/46/497276846.db2.gz BEMBFKDBTWMBHQ-UYAOXDASSA-N 2 2 368.525 3.329 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245462606 497419341 /nfs/dbraw/zinc/41/93/41/497419341.db2.gz WZXYDFLIKVIVRR-PMACEKPBSA-N 2 2 368.525 3.130 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245462606 497419344 /nfs/dbraw/zinc/41/93/44/497419344.db2.gz WZXYDFLIKVIVRR-PMACEKPBSA-N 2 2 368.525 3.130 20 30 FGEDLP C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329705018 497874933 /nfs/dbraw/zinc/87/49/33/497874933.db2.gz JUJNYEIJGOMSHU-DOTOQJQBSA-N 2 2 359.518 3.156 20 30 FGEDLP C[C@H](NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329705018 497874941 /nfs/dbraw/zinc/87/49/41/497874941.db2.gz JUJNYEIJGOMSHU-DOTOQJQBSA-N 2 2 359.518 3.156 20 30 FGEDLP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329975738 497977461 /nfs/dbraw/zinc/97/74/61/497977461.db2.gz DTNQWJMHGMDZAU-RBUKOAKNSA-N 2 2 367.497 3.025 20 30 FGEDLP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329975738 497977469 /nfs/dbraw/zinc/97/74/69/497977469.db2.gz DTNQWJMHGMDZAU-RBUKOAKNSA-N 2 2 367.497 3.025 20 30 FGEDLP CC[C@H](C)n1ncc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000330047642 498003567 /nfs/dbraw/zinc/00/35/67/498003567.db2.gz JNPBBVDOSVJQEB-HNNXBMFYSA-N 2 2 361.534 3.026 20 30 FGEDLP C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285429983 498081898 /nfs/dbraw/zinc/08/18/98/498081898.db2.gz HLCPILAZBZXAEV-SJPCQFCGSA-N 2 2 352.400 3.494 20 30 FGEDLP C[NH+](CC#Cc1ccc(OC(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285429983 498081908 /nfs/dbraw/zinc/08/19/08/498081908.db2.gz HLCPILAZBZXAEV-SJPCQFCGSA-N 2 2 352.400 3.494 20 30 FGEDLP C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285429983 498081894 /nfs/dbraw/zinc/08/18/94/498081894.db2.gz HLCPILAZBZXAEV-SJPCQFCGSA-N 2 2 352.400 3.494 20 30 FGEDLP C[NH+](CC#Cc1ccc(OC(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285429983 498081904 /nfs/dbraw/zinc/08/19/04/498081904.db2.gz HLCPILAZBZXAEV-SJPCQFCGSA-N 2 2 352.400 3.494 20 30 FGEDLP COCc1ccccc1NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000305038306 498735262 /nfs/dbraw/zinc/73/52/62/498735262.db2.gz IXOAKFMEMDBWKG-UHFFFAOYSA-N 2 2 353.401 3.085 20 30 FGEDLP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)ccc1C#N ZINC000366928214 499117555 /nfs/dbraw/zinc/11/75/55/499117555.db2.gz RXQZWLSIVYVASU-AUUYWEPGSA-N 2 2 370.522 3.332 20 30 FGEDLP COc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2C)ccc1C#N ZINC000366928214 499117557 /nfs/dbraw/zinc/11/75/57/499117557.db2.gz RXQZWLSIVYVASU-AUUYWEPGSA-N 2 2 370.522 3.332 20 30 FGEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000370235628 499200448 /nfs/dbraw/zinc/20/04/48/499200448.db2.gz HITUQZCMBIJMST-OALUTQOASA-N 2 2 366.465 3.429 20 30 FGEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000370235628 499200449 /nfs/dbraw/zinc/20/04/49/499200449.db2.gz HITUQZCMBIJMST-OALUTQOASA-N 2 2 366.465 3.429 20 30 FGEDLP N#Cc1ccc(N2CCC([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC000367750752 499230794 /nfs/dbraw/zinc/23/07/94/499230794.db2.gz BTDQHENZUKGLTK-UHFFFAOYSA-N 2 2 361.493 3.181 20 30 FGEDLP Cc1oc(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3C(C)C)C2)c(C#N)c1C ZINC000369042601 499359586 /nfs/dbraw/zinc/35/95/86/499359586.db2.gz UPQWJTFNDSERRG-INIZCTEOSA-N 2 2 369.469 3.364 20 30 FGEDLP Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3C(C)C)C2)c(C#N)c1C ZINC000369042601 499359587 /nfs/dbraw/zinc/35/95/87/499359587.db2.gz UPQWJTFNDSERRG-INIZCTEOSA-N 2 2 369.469 3.364 20 30 FGEDLP C=CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000375788339 499555956 /nfs/dbraw/zinc/55/59/56/499555956.db2.gz AAPUCFGYPOWEIJ-GHTZIAJQSA-N 2 2 354.498 3.158 20 30 FGEDLP C=CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000375788339 499555957 /nfs/dbraw/zinc/55/59/57/499555957.db2.gz AAPUCFGYPOWEIJ-GHTZIAJQSA-N 2 2 354.498 3.158 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 ZINC000377089341 499661050 /nfs/dbraw/zinc/66/10/50/499661050.db2.gz HCBGTJUGVUHOPV-SJLPKXTDSA-N 2 2 351.535 3.262 20 30 FGEDLP COC(=O)c1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000377713891 499724093 /nfs/dbraw/zinc/72/40/93/499724093.db2.gz BYXZFRHDCDDEPX-UHFFFAOYSA-N 2 2 363.461 3.099 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000414922408 499844882 /nfs/dbraw/zinc/84/48/82/499844882.db2.gz GBBOUSAMWWPENN-DOMZBBRYSA-N 2 2 369.303 3.110 20 30 FGEDLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000419299318 500351167 /nfs/dbraw/zinc/35/11/67/500351167.db2.gz YJBFQKZTZJOOPB-INIZCTEOSA-N 2 2 372.488 3.067 20 30 FGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)C[C@H]1C ZINC000444229931 500820532 /nfs/dbraw/zinc/82/05/32/500820532.db2.gz XVLXKYCXKLHKQP-HZPDHXFCSA-N 2 2 360.527 3.045 20 30 FGEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2SCC#N)C[C@H]1C ZINC000444229931 500820536 /nfs/dbraw/zinc/82/05/36/500820536.db2.gz XVLXKYCXKLHKQP-HZPDHXFCSA-N 2 2 360.527 3.045 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)C[C@H]1C ZINC000444229931 500820538 /nfs/dbraw/zinc/82/05/38/500820538.db2.gz XVLXKYCXKLHKQP-HZPDHXFCSA-N 2 2 360.527 3.045 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2SCC#N)C[C@H]1C ZINC000444229931 500820541 /nfs/dbraw/zinc/82/05/41/500820541.db2.gz XVLXKYCXKLHKQP-HZPDHXFCSA-N 2 2 360.527 3.045 20 30 FGEDLP C[N@H+](CCOc1ccccc1C#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445258492 500961874 /nfs/dbraw/zinc/96/18/74/500961874.db2.gz MIZBGNYTNCWPNP-UHFFFAOYSA-N 2 2 355.404 3.286 20 30 FGEDLP C[N@@H+](CCOc1ccccc1C#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445258492 500961878 /nfs/dbraw/zinc/96/18/78/500961878.db2.gz MIZBGNYTNCWPNP-UHFFFAOYSA-N 2 2 355.404 3.286 20 30 FGEDLP COc1cc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)ccn1 ZINC000602708103 506268548 /nfs/dbraw/zinc/26/85/48/506268548.db2.gz WWAWZRLSDFEAEJ-QGZVFWFLSA-N 2 2 364.493 3.147 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000469994044 502622502 /nfs/dbraw/zinc/62/25/02/502622502.db2.gz WTLIHCLYIFUBDE-IUODEOHRSA-N 2 2 369.303 3.192 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OC ZINC000469994044 502622508 /nfs/dbraw/zinc/62/25/08/502622508.db2.gz WTLIHCLYIFUBDE-IUODEOHRSA-N 2 2 369.303 3.192 20 30 FGEDLP C=CCc1cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc(OC)c1O ZINC000508486939 503503753 /nfs/dbraw/zinc/50/37/53/503503753.db2.gz FFOCOOVGFPZMJW-UHFFFAOYSA-N 2 2 350.422 3.381 20 30 FGEDLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(C#N)cc3F)CC2)c1 ZINC000533449324 503851705 /nfs/dbraw/zinc/85/17/05/503851705.db2.gz DFLHDOQQNRYKEA-UHFFFAOYSA-N 2 2 366.484 3.308 20 30 FGEDLP C[NH+](C)C1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCCC1 ZINC000541003649 503971114 /nfs/dbraw/zinc/97/11/14/503971114.db2.gz QAPPVCIWHLWKKW-UHFFFAOYSA-N 3 2 354.542 3.377 20 30 FGEDLP COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541201518 504039137 /nfs/dbraw/zinc/03/91/37/504039137.db2.gz PAVGXETZFRVECK-FQEVSTJZSA-N 2 2 366.465 3.161 20 30 FGEDLP N#Cc1ccc(CN2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)cc1 ZINC000541536446 504169315 /nfs/dbraw/zinc/16/93/15/504169315.db2.gz UXDPSQCIOLNNRB-UHFFFAOYSA-N 2 2 363.490 3.123 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3c[nH]c4ncccc34)CC2)cc1 ZINC000538407812 504237589 /nfs/dbraw/zinc/23/75/89/504237589.db2.gz LPQWBVWPUBFFNW-UHFFFAOYSA-N 2 2 359.477 3.231 20 30 FGEDLP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000542132810 504374798 /nfs/dbraw/zinc/37/47/98/504374798.db2.gz JKGRGGGMYXAZLE-KRWDZBQOSA-N 2 2 365.481 3.274 20 30 FGEDLP C=CC[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000538954846 504428214 /nfs/dbraw/zinc/42/82/14/504428214.db2.gz UIHWYZQNVRDVTN-LJQANCHMSA-N 2 2 361.917 3.244 20 30 FGEDLP C=CC[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000538954846 504428218 /nfs/dbraw/zinc/42/82/18/504428218.db2.gz UIHWYZQNVRDVTN-LJQANCHMSA-N 2 2 361.917 3.244 20 30 FGEDLP Cc1ccnc([C@@H]2CC[NH+](CC#CC[N@H+]3CC[C@H](c4cc(C)ccn4)C3)C2)c1 ZINC000566018129 505057208 /nfs/dbraw/zinc/05/72/08/505057208.db2.gz VMIHISARXUTHCB-SZPZYZBQSA-N 2 2 374.532 3.376 20 30 FGEDLP Cc1ccnc([C@@H]2CC[N@@H+](CC#CC[NH+]3CC[C@H](c4cc(C)ccn4)C3)C2)c1 ZINC000566018129 505057213 /nfs/dbraw/zinc/05/72/13/505057213.db2.gz VMIHISARXUTHCB-SZPZYZBQSA-N 2 2 374.532 3.376 20 30 FGEDLP Cc1ccnc([C@@H]2CC[N@H+](CC#CC[NH+]3CC[C@H](c4cc(C)ccn4)C3)C2)c1 ZINC000566018129 505057216 /nfs/dbraw/zinc/05/72/16/505057216.db2.gz VMIHISARXUTHCB-SZPZYZBQSA-N 2 2 374.532 3.376 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000593687117 506731438 /nfs/dbraw/zinc/73/14/38/506731438.db2.gz CHIRDIMJNFCDNX-UHFFFAOYSA-N 2 2 350.422 3.221 20 30 FGEDLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]1C ZINC000593692681 506734966 /nfs/dbraw/zinc/73/49/66/506734966.db2.gz ICJLLWOGNUMVIS-PBEJRMEISA-N 2 2 369.509 3.090 20 30 FGEDLP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000597242877 506857149 /nfs/dbraw/zinc/85/71/49/506857149.db2.gz XFLMHPVJQDWSLS-RBBKRZOGSA-N 2 2 369.509 3.234 20 30 FGEDLP C[NH+]1CCC([NH+]2CCC(Nc3nc(C(C)(C)C)ccc3C#N)CC2)CC1 ZINC000613417393 507078126 /nfs/dbraw/zinc/07/81/26/507078126.db2.gz UIPPOJIWKRZVFD-UHFFFAOYSA-N 2 2 355.530 3.221 20 30 FGEDLP C[C@@H]1C[NH+](CCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)C[C@@H](C)O1 ZINC000591659662 507325892 /nfs/dbraw/zinc/32/58/92/507325892.db2.gz NHDUPOLVKGIXIU-RVEPMOMFSA-N 2 2 355.526 3.479 20 30 FGEDLP C[C@@H](c1ccccc1)[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611438900 507682383 /nfs/dbraw/zinc/68/23/83/507682383.db2.gz MAPWTXVYVCVLCX-MBSDFSHPSA-N 2 2 363.505 3.277 20 30 FGEDLP C#CCOc1ccc(Br)cc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000041635154 695764851 /nfs/dbraw/zinc/76/48/51/695764851.db2.gz IFXNYHWPLOTGHY-UHFFFAOYSA-N 2 2 353.304 3.139 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)CC2)cc1 ZINC000776168603 724115411 /nfs/dbraw/zinc/11/54/11/724115411.db2.gz CQMUETJEWOJMOL-HSALFYBXSA-N 2 2 373.591 3.492 20 30 FGEDLP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccc(C#N)cc1F ZINC000580350630 505738629 /nfs/dbraw/zinc/73/86/29/505738629.db2.gz ANAORUGJCRVXDS-HTAPYJJXSA-N 2 2 366.484 3.337 20 30 FGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1Cl ZINC000093132686 494830121 /nfs/dbraw/zinc/83/01/21/494830121.db2.gz ICWORDZEDMZXKA-GOSISDBHSA-N 2 2 363.933 3.117 20 30 FGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1Cl ZINC000093132686 494830127 /nfs/dbraw/zinc/83/01/27/494830127.db2.gz ICWORDZEDMZXKA-GOSISDBHSA-N 2 2 363.933 3.117 20 30 FGEDLP Cc1ccc2[nH+]cc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2c1 ZINC000122844873 495039534 /nfs/dbraw/zinc/03/95/34/495039534.db2.gz VSSJYBHKWTUNQE-UHFFFAOYSA-N 2 2 359.477 3.222 20 30 FGEDLP Cc1ccc2[nH+]cc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)n2c1 ZINC000122844873 495039538 /nfs/dbraw/zinc/03/95/38/495039538.db2.gz VSSJYBHKWTUNQE-UHFFFAOYSA-N 2 2 359.477 3.222 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)C(C)C ZINC000106533189 495464086 /nfs/dbraw/zinc/46/40/86/495464086.db2.gz YWQNZJCUEUZOOT-ZWKOTPCHSA-N 2 2 359.518 3.345 20 30 FGEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177087191 495918573 /nfs/dbraw/zinc/91/85/73/495918573.db2.gz LEPUDJSAZMZHNH-KDURUIRLSA-N 2 2 359.945 3.182 20 30 FGEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000177087191 495918577 /nfs/dbraw/zinc/91/85/77/495918577.db2.gz LEPUDJSAZMZHNH-KDURUIRLSA-N 2 2 359.945 3.182 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157009469 496385532 /nfs/dbraw/zinc/38/55/32/496385532.db2.gz YGKFVHPPLYFVMD-TZIWHRDSSA-N 2 2 355.526 3.172 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157009469 496385537 /nfs/dbraw/zinc/38/55/37/496385537.db2.gz YGKFVHPPLYFVMD-TZIWHRDSSA-N 2 2 355.526 3.172 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157009469 496385540 /nfs/dbraw/zinc/38/55/40/496385540.db2.gz YGKFVHPPLYFVMD-TZIWHRDSSA-N 2 2 355.526 3.172 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157009469 496385546 /nfs/dbraw/zinc/38/55/46/496385546.db2.gz YGKFVHPPLYFVMD-TZIWHRDSSA-N 2 2 355.526 3.172 20 30 FGEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000181435617 496394833 /nfs/dbraw/zinc/39/48/33/496394833.db2.gz RYRGXSSNJALEIZ-UHFFFAOYSA-N 2 2 353.441 3.460 20 30 FGEDLP C=CCc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc(OC)c1O ZINC000184728951 496509771 /nfs/dbraw/zinc/50/97/71/496509771.db2.gz FBHXYNDVFDRSPA-MRXNPFEDSA-N 2 2 355.482 3.318 20 30 FGEDLP C=CCc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc(OC)c1O ZINC000184728951 496509775 /nfs/dbraw/zinc/50/97/75/496509775.db2.gz FBHXYNDVFDRSPA-MRXNPFEDSA-N 2 2 355.482 3.318 20 30 FGEDLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000181813693 496555645 /nfs/dbraw/zinc/55/56/45/496555645.db2.gz ZWGYCYBQEPNWLA-NHCUHLMSSA-N 2 2 353.510 3.460 20 30 FGEDLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000191504484 496787302 /nfs/dbraw/zinc/78/73/02/496787302.db2.gz JUSVLDFSSOZCEP-UHFFFAOYSA-N 2 2 373.888 3.321 20 30 FGEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000191504484 496787309 /nfs/dbraw/zinc/78/73/09/496787309.db2.gz JUSVLDFSSOZCEP-UHFFFAOYSA-N 2 2 373.888 3.321 20 30 FGEDLP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H]1n1cc[nH+]c1 ZINC000247696119 496907793 /nfs/dbraw/zinc/90/77/93/496907793.db2.gz TYIQZRMOAKFUPZ-DOTOQJQBSA-N 2 2 369.494 3.020 20 30 FGEDLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H]1n1cc[nH+]c1 ZINC000247696119 496907796 /nfs/dbraw/zinc/90/77/96/496907796.db2.gz TYIQZRMOAKFUPZ-DOTOQJQBSA-N 2 2 369.494 3.020 20 30 FGEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000226693689 497083672 /nfs/dbraw/zinc/08/36/72/497083672.db2.gz BEMBFKDBTWMBHQ-QUCCMNQESA-N 2 2 368.525 3.329 20 30 FGEDLP C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000226693689 497083676 /nfs/dbraw/zinc/08/36/76/497083676.db2.gz BEMBFKDBTWMBHQ-QUCCMNQESA-N 2 2 368.525 3.329 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266765159 497415722 /nfs/dbraw/zinc/41/57/22/497415722.db2.gz RDDFTWHFUCCPKA-QGZVFWFLSA-N 2 2 365.481 3.233 20 30 FGEDLP CC[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N1CCc2ccccc21 ZINC000263248151 497741325 /nfs/dbraw/zinc/74/13/25/497741325.db2.gz NUKCXGSABQSHLR-UHFFFAOYSA-N 2 2 360.465 3.104 20 30 FGEDLP C[C@@H]1C(=O)CC[C@@H](C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1(C)C ZINC000329928374 497956560 /nfs/dbraw/zinc/95/65/60/497956560.db2.gz MITJGBWOUKHWTI-QAPCUYQASA-N 2 2 363.546 3.143 20 30 FGEDLP O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329980403 497978187 /nfs/dbraw/zinc/97/81/87/497978187.db2.gz LGZYWJWVHCLIGV-YCPHGPKFSA-N 2 2 362.474 3.076 20 30 FGEDLP O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329980403 497978195 /nfs/dbraw/zinc/97/81/95/497978195.db2.gz LGZYWJWVHCLIGV-YCPHGPKFSA-N 2 2 362.474 3.076 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000330250220 498078482 /nfs/dbraw/zinc/07/84/82/498078482.db2.gz MWCSPBJYKNTIKR-YVEFUNNKSA-N 2 2 367.396 3.012 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000330250220 498078488 /nfs/dbraw/zinc/07/84/88/498078488.db2.gz MWCSPBJYKNTIKR-YVEFUNNKSA-N 2 2 367.396 3.012 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000330250220 498078491 /nfs/dbraw/zinc/07/84/91/498078491.db2.gz MWCSPBJYKNTIKR-YVEFUNNKSA-N 2 2 367.396 3.012 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000330250220 498078494 /nfs/dbraw/zinc/07/84/94/498078494.db2.gz MWCSPBJYKNTIKR-YVEFUNNKSA-N 2 2 367.396 3.012 20 30 FGEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000330787856 498194596 /nfs/dbraw/zinc/19/45/96/498194596.db2.gz XUALGBYUPIVJKU-XODKDNOYSA-N 2 2 362.562 3.016 20 30 FGEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000330787856 498194605 /nfs/dbraw/zinc/19/46/05/498194605.db2.gz XUALGBYUPIVJKU-XODKDNOYSA-N 2 2 362.562 3.016 20 30 FGEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000330787856 498194613 /nfs/dbraw/zinc/19/46/13/498194613.db2.gz XUALGBYUPIVJKU-XODKDNOYSA-N 2 2 362.562 3.016 20 30 FGEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000330787856 498194621 /nfs/dbraw/zinc/19/46/21/498194621.db2.gz XUALGBYUPIVJKU-XODKDNOYSA-N 2 2 362.562 3.016 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@H](CO)c4ccccc43)CC2)cc1 ZINC000364955041 498226484 /nfs/dbraw/zinc/22/64/84/498226484.db2.gz PGKREMHFDLURFD-XXBNENTESA-N 2 2 361.489 3.333 20 30 FGEDLP COc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)ccc1C#N ZINC000281691329 498237585 /nfs/dbraw/zinc/23/75/85/498237585.db2.gz NAZXOAVTHWGQQJ-INIZCTEOSA-N 2 2 350.466 3.277 20 30 FGEDLP N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281961104 498334472 /nfs/dbraw/zinc/33/44/72/498334472.db2.gz GEDPFIYVVRPVGH-QUCCMNQESA-N 2 2 350.466 3.004 20 30 FGEDLP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281961104 498334474 /nfs/dbraw/zinc/33/44/74/498334474.db2.gz GEDPFIYVVRPVGH-QUCCMNQESA-N 2 2 350.466 3.004 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1C#N ZINC000361666832 498417391 /nfs/dbraw/zinc/41/73/91/498417391.db2.gz KVUBKGHTNIFCKK-AEFFLSMTSA-N 2 2 365.481 3.370 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1C#N ZINC000361666832 498417398 /nfs/dbraw/zinc/41/73/98/498417398.db2.gz KVUBKGHTNIFCKK-AEFFLSMTSA-N 2 2 365.481 3.370 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3cnc(C4CC4)nc3)CC2)cc1 ZINC000362038732 498457228 /nfs/dbraw/zinc/45/72/28/498457228.db2.gz LPOWNILGBNMRON-UHFFFAOYSA-N 2 2 361.493 3.022 20 30 FGEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCO1 ZINC000328746310 498924420 /nfs/dbraw/zinc/92/44/20/498924420.db2.gz AMEGCRZLFZBBQA-AYBZRNKSSA-N 2 2 360.502 3.394 20 30 FGEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCO1 ZINC000328746310 498924422 /nfs/dbraw/zinc/92/44/22/498924422.db2.gz AMEGCRZLFZBBQA-AYBZRNKSSA-N 2 2 360.502 3.394 20 30 FGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000328863745 498965772 /nfs/dbraw/zinc/96/57/72/498965772.db2.gz VWYZBTZDHCNBJW-SJLPKXTDSA-N 2 2 367.497 3.059 20 30 FGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000328863745 498965781 /nfs/dbraw/zinc/96/57/81/498965781.db2.gz VWYZBTZDHCNBJW-SJLPKXTDSA-N 2 2 367.497 3.059 20 30 FGEDLP C=CCC(CC=C)C(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000370164862 499190905 /nfs/dbraw/zinc/19/09/05/499190905.db2.gz UNOAIMAMWXOVQZ-SFHVURJKSA-N 2 2 356.514 3.142 20 30 FGEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000370235627 499200282 /nfs/dbraw/zinc/20/02/82/499200282.db2.gz HITUQZCMBIJMST-MOPGFXCFSA-N 2 2 366.465 3.429 20 30 FGEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000370235627 499200284 /nfs/dbraw/zinc/20/02/84/499200284.db2.gz HITUQZCMBIJMST-MOPGFXCFSA-N 2 2 366.465 3.429 20 30 FGEDLP C[C@@H](C#N)Oc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000370410572 499218054 /nfs/dbraw/zinc/21/80/54/499218054.db2.gz PSAFCXZJVNSFMM-XJABCFGWSA-N 2 2 364.493 3.497 20 30 FGEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)cc1 ZINC000370410572 499218055 /nfs/dbraw/zinc/21/80/55/499218055.db2.gz PSAFCXZJVNSFMM-XJABCFGWSA-N 2 2 364.493 3.497 20 30 FGEDLP C[C@@H](C#N)Oc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000370410572 499218056 /nfs/dbraw/zinc/21/80/56/499218056.db2.gz PSAFCXZJVNSFMM-XJABCFGWSA-N 2 2 364.493 3.497 20 30 FGEDLP C[C@@H](C#N)Oc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000370410572 499218057 /nfs/dbraw/zinc/21/80/57/499218057.db2.gz PSAFCXZJVNSFMM-XJABCFGWSA-N 2 2 364.493 3.497 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000582181484 506153324 /nfs/dbraw/zinc/15/33/24/506153324.db2.gz ZRLVMGSZVLKDSV-ZDUSSCGKSA-N 2 2 369.303 3.193 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1OC ZINC000582181484 506153327 /nfs/dbraw/zinc/15/33/27/506153327.db2.gz ZRLVMGSZVLKDSV-ZDUSSCGKSA-N 2 2 369.303 3.193 20 30 FGEDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000429228026 500026685 /nfs/dbraw/zinc/02/66/85/500026685.db2.gz QCJSNCIYSONPKT-UHFFFAOYSA-N 2 2 364.453 3.279 20 30 FGEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000429228026 500026688 /nfs/dbraw/zinc/02/66/88/500026688.db2.gz QCJSNCIYSONPKT-UHFFFAOYSA-N 2 2 364.453 3.279 20 30 FGEDLP C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000435739950 501021121 /nfs/dbraw/zinc/02/11/21/501021121.db2.gz ZGOCDDYWSKSHJI-XJKSGUPXSA-N 2 2 364.287 3.476 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489326471 502930037 /nfs/dbraw/zinc/93/00/37/502930037.db2.gz IXWBCDITRCPXFO-LJQANCHMSA-N 2 2 370.541 3.209 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000489326471 502930041 /nfs/dbraw/zinc/93/00/41/502930041.db2.gz IXWBCDITRCPXFO-LJQANCHMSA-N 2 2 370.541 3.209 20 30 FGEDLP N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2=O)cc1 ZINC000503957837 503498622 /nfs/dbraw/zinc/49/86/22/503498622.db2.gz ARZBHJXKYGPKKE-NRFANRHFSA-N 2 2 371.444 3.029 20 30 FGEDLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000519812922 504350602 /nfs/dbraw/zinc/35/06/02/504350602.db2.gz JGANCHRXNQOXIK-CYBMUJFWSA-N 2 2 360.889 3.145 20 30 FGEDLP COC(=O)c1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1C#N ZINC000543060261 504706656 /nfs/dbraw/zinc/70/66/56/504706656.db2.gz DPHYAJJGHJJRCX-UHFFFAOYSA-N 2 2 366.465 3.234 20 30 FGEDLP Cc1cc[nH+]c(C)c1NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593205029 506464045 /nfs/dbraw/zinc/46/40/45/506464045.db2.gz SPNWMSKTHZPCDU-UHFFFAOYSA-N 2 2 363.465 3.356 20 30 FGEDLP N#Cc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000603875558 506645762 /nfs/dbraw/zinc/64/57/62/506645762.db2.gz IZOQMGJPAFRGTE-UHFFFAOYSA-N 2 2 354.498 3.085 20 30 FGEDLP Cc1ccc2ncc(C[NH2+]C3CC[NH+](Cc4cccc(C#N)c4)CC3)n2c1 ZINC000593692559 506734247 /nfs/dbraw/zinc/73/42/47/506734247.db2.gz FQZIFEVHVNZKTH-UHFFFAOYSA-N 2 2 359.477 3.269 20 30 FGEDLP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]1SC ZINC000593695351 506736589 /nfs/dbraw/zinc/73/65/89/506736589.db2.gz LRQGIWDIKCOKGI-XUVXKRRUSA-N 2 2 359.539 3.021 20 30 FGEDLP Cn1ncc(C2CCC2)c1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594981621 507341835 /nfs/dbraw/zinc/34/18/35/507341835.db2.gz AVNMUCSWPUOFGC-UHFFFAOYSA-N 2 2 363.509 3.313 20 30 FGEDLP N#CCCN(C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000610735426 507372088 /nfs/dbraw/zinc/37/20/88/507372088.db2.gz FDLXZRDSMMYLQM-GOSISDBHSA-N 2 2 371.872 3.120 20 30 FGEDLP N#CCCN(C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000610735426 507372094 /nfs/dbraw/zinc/37/20/94/507372094.db2.gz FDLXZRDSMMYLQM-GOSISDBHSA-N 2 2 371.872 3.120 20 30 FGEDLP N#CC1(c2ccccc2)CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000595103425 507393506 /nfs/dbraw/zinc/39/35/06/507393506.db2.gz NOOHFGIUGLEWHQ-IRQNMHNUSA-N 2 2 353.510 3.233 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCN3Cc4ccccc4C3)CC2)cc1 ZINC000611438236 507682851 /nfs/dbraw/zinc/68/28/51/507682851.db2.gz PELDSTDDWPTLDG-UHFFFAOYSA-N 2 2 360.505 3.128 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000182640381 705854365 /nfs/dbraw/zinc/85/43/65/705854365.db2.gz DQAMONNYXXUGHK-FUHWJXTLSA-N 2 2 351.535 3.405 20 30 FGEDLP C[NH+]=C(NCc1ccco1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000849030576 731224032 /nfs/dbraw/zinc/22/40/32/731224032.db2.gz PAYRJKPIKWZYKX-GOSISDBHSA-N 2 2 360.889 3.435 20 30 FGEDLP CC1([NH+]2CCCCC2)CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000879947596 737089010 /nfs/dbraw/zinc/08/90/10/737089010.db2.gz JRGBTPCBQREYJG-UHFFFAOYSA-N 2 2 360.527 3.289 20 30 FGEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(C#N)c2)[C@@H]1c1cnn(C)c1 ZINC000328622004 210113737 /nfs/dbraw/zinc/11/37/37/210113737.db2.gz AWAWPIUSTWOCJD-PZJWPPBQSA-N 2 2 351.498 3.197 20 30 FGEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cccc(C#N)c2)[C@@H]1c1cnn(C)c1 ZINC000328622004 210113742 /nfs/dbraw/zinc/11/37/42/210113742.db2.gz AWAWPIUSTWOCJD-PZJWPPBQSA-N 2 2 351.498 3.197 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cccc(C#N)c2)[C@@H]1c1cnn(C)c1 ZINC000328622004 210113746 /nfs/dbraw/zinc/11/37/46/210113746.db2.gz AWAWPIUSTWOCJD-PZJWPPBQSA-N 2 2 351.498 3.197 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cccc(C#N)c2)[C@@H]1c1cnn(C)c1 ZINC000328622004 210113751 /nfs/dbraw/zinc/11/37/51/210113751.db2.gz AWAWPIUSTWOCJD-PZJWPPBQSA-N 2 2 351.498 3.197 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000576863557 505611979 /nfs/dbraw/zinc/61/19/79/505611979.db2.gz KNASSQKBMCATMM-GOSISDBHSA-N 2 2 363.571 3.235 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000576863557 505611981 /nfs/dbraw/zinc/61/19/81/505611981.db2.gz KNASSQKBMCATMM-GOSISDBHSA-N 2 2 363.571 3.235 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000576863557 505611983 /nfs/dbraw/zinc/61/19/83/505611983.db2.gz KNASSQKBMCATMM-GOSISDBHSA-N 2 2 363.571 3.235 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000576863557 505611985 /nfs/dbraw/zinc/61/19/85/505611985.db2.gz KNASSQKBMCATMM-GOSISDBHSA-N 2 2 363.571 3.235 20 30 FGEDLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OCCCC#N ZINC000093598117 494902784 /nfs/dbraw/zinc/90/27/84/494902784.db2.gz HNZLJWDJWLVHCH-LJQANCHMSA-N 2 2 357.498 3.295 20 30 FGEDLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OCCCC#N ZINC000093598117 494902788 /nfs/dbraw/zinc/90/27/88/494902788.db2.gz HNZLJWDJWLVHCH-LJQANCHMSA-N 2 2 357.498 3.295 20 30 FGEDLP Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c(C#N)c1C ZINC000123370119 495122181 /nfs/dbraw/zinc/12/21/81/495122181.db2.gz DGXVTGXSCNURSE-HNNXBMFYSA-N 2 2 360.502 3.149 20 30 FGEDLP N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129132690 495201712 /nfs/dbraw/zinc/20/17/12/495201712.db2.gz QZLOLUGAINGDLN-FQEVSTJZSA-N 2 2 361.489 3.379 20 30 FGEDLP N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129132690 495201715 /nfs/dbraw/zinc/20/17/15/495201715.db2.gz QZLOLUGAINGDLN-FQEVSTJZSA-N 2 2 361.489 3.379 20 30 FGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(OCC#N)cc1 ZINC000180542235 496038281 /nfs/dbraw/zinc/03/82/81/496038281.db2.gz JQJAVENABIVMEN-KRWDZBQOSA-N 2 2 350.466 3.299 20 30 FGEDLP CC(=O)Nc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000181498718 496421137 /nfs/dbraw/zinc/42/11/37/496421137.db2.gz CXHUYEJPZTVIAG-UHFFFAOYSA-N 2 2 362.477 3.271 20 30 FGEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157227369 496432723 /nfs/dbraw/zinc/43/27/23/496432723.db2.gz NTNPXWIGFZFGJP-FGNUKQJGSA-N 2 2 374.573 3.256 20 30 FGEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157227369 496432728 /nfs/dbraw/zinc/43/27/28/496432728.db2.gz NTNPXWIGFZFGJP-FGNUKQJGSA-N 2 2 374.573 3.256 20 30 FGEDLP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000181788719 496545529 /nfs/dbraw/zinc/54/55/29/496545529.db2.gz IYDBMVSKFYCXQV-HXUWFJFHSA-N 2 2 355.507 3.081 20 30 FGEDLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)cc3F)c2)CCO1 ZINC000269456745 496951682 /nfs/dbraw/zinc/95/16/82/496951682.db2.gz WXBFPTKNCHDSHZ-INIZCTEOSA-N 2 2 353.441 3.208 20 30 FGEDLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C#N)cc3F)c2)CCO1 ZINC000269456745 496951684 /nfs/dbraw/zinc/95/16/84/496951684.db2.gz WXBFPTKNCHDSHZ-INIZCTEOSA-N 2 2 353.441 3.208 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000270346546 497106751 /nfs/dbraw/zinc/10/67/51/497106751.db2.gz OYFVWEBXFNQWRG-SIKLNZKXSA-N 2 2 360.461 3.414 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000270346546 497106757 /nfs/dbraw/zinc/10/67/57/497106757.db2.gz OYFVWEBXFNQWRG-SIKLNZKXSA-N 2 2 360.461 3.414 20 30 FGEDLP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1C#N ZINC000249395267 497198700 /nfs/dbraw/zinc/19/87/00/497198700.db2.gz GRUMPKSMFXOFAK-KXBFYZLASA-N 2 2 360.864 3.472 20 30 FGEDLP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1C#N ZINC000249395267 497198703 /nfs/dbraw/zinc/19/87/03/497198703.db2.gz GRUMPKSMFXOFAK-KXBFYZLASA-N 2 2 360.864 3.472 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245446179 497411209 /nfs/dbraw/zinc/41/12/09/497411209.db2.gz KZJQUWFNFTXLSY-RBUKOAKNSA-N 2 2 356.514 3.128 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245446179 497411212 /nfs/dbraw/zinc/41/12/12/497411212.db2.gz KZJQUWFNFTXLSY-RBUKOAKNSA-N 2 2 356.514 3.128 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245446179 497411215 /nfs/dbraw/zinc/41/12/15/497411215.db2.gz KZJQUWFNFTXLSY-RBUKOAKNSA-N 2 2 356.514 3.128 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245446179 497411217 /nfs/dbraw/zinc/41/12/17/497411217.db2.gz KZJQUWFNFTXLSY-RBUKOAKNSA-N 2 2 356.514 3.128 20 30 FGEDLP CN(C(=O)c1sccc1C#N)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245714699 497513827 /nfs/dbraw/zinc/51/38/27/497513827.db2.gz OGXIAJIIHHXCFT-ZWKOTPCHSA-N 2 2 374.554 3.029 20 30 FGEDLP CN(C(=O)c1sccc1C#N)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245714699 497513829 /nfs/dbraw/zinc/51/38/29/497513829.db2.gz OGXIAJIIHHXCFT-ZWKOTPCHSA-N 2 2 374.554 3.029 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267405347 497543911 /nfs/dbraw/zinc/54/39/11/497543911.db2.gz GWZDOYHEOIBCOF-CVEARBPZSA-N 2 2 358.511 3.254 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267405347 497543917 /nfs/dbraw/zinc/54/39/17/497543917.db2.gz GWZDOYHEOIBCOF-CVEARBPZSA-N 2 2 358.511 3.254 20 30 FGEDLP CC[C@@H](C)n1ncc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000330047643 498003660 /nfs/dbraw/zinc/00/36/60/498003660.db2.gz JNPBBVDOSVJQEB-OAHLLOKOSA-N 2 2 361.534 3.026 20 30 FGEDLP N#Cc1ccc(OC2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)c(F)c1 ZINC000289957409 498369787 /nfs/dbraw/zinc/36/97/87/498369787.db2.gz YYVIWNHVBYTNKW-UHFFFAOYSA-N 2 2 350.397 3.388 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)CC1 ZINC000365928827 498702160 /nfs/dbraw/zinc/70/21/60/498702160.db2.gz PSZLZEPSIBBPME-SFHVURJKSA-N 2 2 357.498 3.280 20 30 FGEDLP C[C@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000328656770 498891376 /nfs/dbraw/zinc/89/13/76/498891376.db2.gz ODBSEGCBCGQYRI-FOIQADDNSA-N 2 2 355.486 3.048 20 30 FGEDLP C[C@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000328656770 498891383 /nfs/dbraw/zinc/89/13/83/498891383.db2.gz ODBSEGCBCGQYRI-FOIQADDNSA-N 2 2 355.486 3.048 20 30 FGEDLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000329219910 499074868 /nfs/dbraw/zinc/07/48/68/499074868.db2.gz BCALOVQCXSIELG-MSOLQXFVSA-N 2 2 374.529 3.170 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CC([NH+]4CCCCC4)C3)CC2)cc1 ZINC000370122933 499183681 /nfs/dbraw/zinc/18/36/81/499183681.db2.gz RYYPGVIRAZRXMP-UHFFFAOYSA-N 3 2 352.526 3.129 20 30 FGEDLP COc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1OCCCC#N ZINC000367414405 499196501 /nfs/dbraw/zinc/19/65/01/499196501.db2.gz CVSHGOALUZUJOJ-UHFFFAOYSA-N 2 2 354.454 3.200 20 30 FGEDLP C[N@H+](CCCOc1cccc(C#N)c1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371385517 499318763 /nfs/dbraw/zinc/31/87/63/499318763.db2.gz XTFQWTNRFKWWAR-UHFFFAOYSA-N 2 2 364.493 3.319 20 30 FGEDLP C[N@@H+](CCCOc1cccc(C#N)c1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000371385517 499318764 /nfs/dbraw/zinc/31/87/64/499318764.db2.gz XTFQWTNRFKWWAR-UHFFFAOYSA-N 2 2 364.493 3.319 20 30 FGEDLP C=CCN(C(=O)[C@@H]1CCCn2cc[nH+]c21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000371827357 499369390 /nfs/dbraw/zinc/36/93/90/499369390.db2.gz USMIGATWFWTKEJ-VQTJNVASSA-N 2 2 364.493 3.050 20 30 FGEDLP C=CCN(C(=O)[C@@H]1CCCn2cc[nH+]c21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000371827357 499369392 /nfs/dbraw/zinc/36/93/92/499369392.db2.gz USMIGATWFWTKEJ-VQTJNVASSA-N 2 2 364.493 3.050 20 30 FGEDLP COc1ccc(C#N)cc1C[N@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000378381971 499509734 /nfs/dbraw/zinc/50/97/34/499509734.db2.gz FOTPAEPCZMYKMT-UHFFFAOYSA-N 2 2 350.466 3.058 20 30 FGEDLP COc1ccc(C#N)cc1C[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000378381971 499509735 /nfs/dbraw/zinc/50/97/35/499509735.db2.gz FOTPAEPCZMYKMT-UHFFFAOYSA-N 2 2 350.466 3.058 20 30 FGEDLP C[N@H+](CC#Cc1ccc(Cl)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425931771 500213753 /nfs/dbraw/zinc/21/37/53/500213753.db2.gz MVHCXYYBORBUFK-JOCHJYFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425931771 500213756 /nfs/dbraw/zinc/21/37/56/500213756.db2.gz MVHCXYYBORBUFK-JOCHJYFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C[NH+](CC#Cc1ccc(Cl)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425931771 500213758 /nfs/dbraw/zinc/21/37/58/500213758.db2.gz MVHCXYYBORBUFK-JOCHJYFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C[NH+](CC#Cc1ccc(Cl)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425931771 500213761 /nfs/dbraw/zinc/21/37/61/500213761.db2.gz MVHCXYYBORBUFK-JOCHJYFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420388458 500453291 /nfs/dbraw/zinc/45/32/91/500453291.db2.gz HCJNPQQLQJDUFE-FUHWJXTLSA-N 2 2 359.539 3.367 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420388458 500453293 /nfs/dbraw/zinc/45/32/93/500453293.db2.gz HCJNPQQLQJDUFE-FUHWJXTLSA-N 2 2 359.539 3.367 20 30 FGEDLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(C#N)cc1 ZINC000447533725 500618977 /nfs/dbraw/zinc/61/89/77/500618977.db2.gz YUALZNASHXQYSD-JOCHJYFZSA-N 3 2 363.509 3.206 20 30 FGEDLP CC(C)[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](CO)C(C)C ZINC000449515542 501022755 /nfs/dbraw/zinc/02/27/55/501022755.db2.gz ZYZMBOHMABQSNP-FCHUYYIVSA-N 2 2 357.542 3.401 20 30 FGEDLP Cc1c(C#N)c(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)nc2ccccc12 ZINC000450415590 501116147 /nfs/dbraw/zinc/11/61/47/501116147.db2.gz CQQHAGMQHBFHPJ-INIZCTEOSA-N 2 2 363.509 3.020 20 30 FGEDLP Cc1c(C#N)c(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)nc2ccccc12 ZINC000450415590 501116151 /nfs/dbraw/zinc/11/61/51/501116151.db2.gz CQQHAGMQHBFHPJ-INIZCTEOSA-N 2 2 363.509 3.020 20 30 FGEDLP C=CCC1(CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCCC1 ZINC000455486589 501315955 /nfs/dbraw/zinc/31/59/55/501315955.db2.gz ZRDHKPXOJCLROU-YOFSQIOKSA-N 2 2 374.573 3.075 20 30 FGEDLP C=CCC1(CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCCC1 ZINC000455486589 501315958 /nfs/dbraw/zinc/31/59/58/501315958.db2.gz ZRDHKPXOJCLROU-YOFSQIOKSA-N 2 2 374.573 3.075 20 30 FGEDLP N#Cc1csc(CNc2[nH+]c3ccccc3n2CCCn2cc[nH+]c2)c1 ZINC000463492406 501741126 /nfs/dbraw/zinc/74/11/26/501741126.db2.gz RKFFNQAJWBMEMF-UHFFFAOYSA-N 2 2 362.462 3.290 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1OCC ZINC000470013649 502629931 /nfs/dbraw/zinc/62/99/31/502629931.db2.gz PLMWXXSVRULHCG-ZDUSSCGKSA-N 2 2 369.303 3.193 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1OCC ZINC000470013649 502629934 /nfs/dbraw/zinc/62/99/34/502629934.db2.gz PLMWXXSVRULHCG-ZDUSSCGKSA-N 2 2 369.303 3.193 20 30 FGEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(C#N)cs1 ZINC000538722955 504345030 /nfs/dbraw/zinc/34/50/30/504345030.db2.gz CEVVSNNDVQUXQG-UHFFFAOYSA-N 3 2 360.571 3.248 20 30 FGEDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(C#N)cs1 ZINC000538722955 504345037 /nfs/dbraw/zinc/34/50/37/504345037.db2.gz CEVVSNNDVQUXQG-UHFFFAOYSA-N 3 2 360.571 3.248 20 30 FGEDLP COc1cccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1OC ZINC000593687045 506730610 /nfs/dbraw/zinc/73/06/10/506730610.db2.gz BKBLCWIJHMWWQJ-UHFFFAOYSA-N 2 2 365.477 3.330 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccn(-c4ccccc4)n3)CC2)c1 ZINC000593692326 506734588 /nfs/dbraw/zinc/73/45/88/506734588.db2.gz BIXDXBDIGLWYPK-UHFFFAOYSA-N 2 2 371.488 3.498 20 30 FGEDLP COC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593702772 506740171 /nfs/dbraw/zinc/74/01/71/506740171.db2.gz NRIXMMMNXZVLET-HSZRJFAPSA-N 2 2 363.505 3.370 20 30 FGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cc2n(n1)CCCC2 ZINC000593725125 506748805 /nfs/dbraw/zinc/74/88/05/506748805.db2.gz KTISJPOENASGGQ-KRWDZBQOSA-N 2 2 363.509 3.406 20 30 FGEDLP COc1cc([C@@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)ccn1 ZINC000594506931 507160916 /nfs/dbraw/zinc/16/09/16/507160916.db2.gz HMFYORCYWYRIQH-MRXNPFEDSA-N 2 2 350.466 3.277 20 30 FGEDLP N#CCCN(C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000610735427 507371182 /nfs/dbraw/zinc/37/11/82/507371182.db2.gz FDLXZRDSMMYLQM-SFHVURJKSA-N 2 2 371.872 3.120 20 30 FGEDLP N#CCCN(C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1cccc(Cl)c1 ZINC000610735427 507371189 /nfs/dbraw/zinc/37/11/89/507371189.db2.gz FDLXZRDSMMYLQM-SFHVURJKSA-N 2 2 371.872 3.120 20 30 FGEDLP C#CCOc1ccc(Br)cc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000073381143 695968468 /nfs/dbraw/zinc/96/84/68/695968468.db2.gz HPOXLUFYURCEHP-UHFFFAOYSA-N 2 2 363.299 3.178 20 30 FGEDLP C[NH+]=C(NCc1ccco1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000849024088 731224070 /nfs/dbraw/zinc/22/40/70/731224070.db2.gz GTJMKAIBVJNLTE-SFHVURJKSA-N 2 2 360.889 3.435 20 30 FGEDLP C#CCOCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000851863273 731511363 /nfs/dbraw/zinc/51/13/63/731511363.db2.gz MIALAJWVDZGKGP-UHFFFAOYSA-N 2 2 354.416 3.251 20 30 FGEDLP C#CCOCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000851863273 731511368 /nfs/dbraw/zinc/51/13/68/731511368.db2.gz MIALAJWVDZGKGP-UHFFFAOYSA-N 2 2 354.416 3.251 20 30 FGEDLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OCCCC#N ZINC000093866210 494927940 /nfs/dbraw/zinc/92/79/40/494927940.db2.gz WBLPVFAYSDHLKV-LJQANCHMSA-N 2 2 367.449 3.426 20 30 FGEDLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1OCCCC#N ZINC000093866210 494927943 /nfs/dbraw/zinc/92/79/43/494927943.db2.gz WBLPVFAYSDHLKV-LJQANCHMSA-N 2 2 367.449 3.426 20 30 FGEDLP Cc1sc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C#N)c1C ZINC000185754617 495712987 /nfs/dbraw/zinc/71/29/87/495712987.db2.gz AZFBOWHFVLZUSP-GDBMZVCRSA-N 2 2 374.554 3.418 20 30 FGEDLP Cc1sc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C#N)c1C ZINC000185754617 495712990 /nfs/dbraw/zinc/71/29/90/495712990.db2.gz AZFBOWHFVLZUSP-GDBMZVCRSA-N 2 2 374.554 3.418 20 30 FGEDLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4F)C3)n2c1 ZINC000156662203 496305591 /nfs/dbraw/zinc/30/55/91/496305591.db2.gz AESVAZMBRRCPEL-QGZVFWFLSA-N 2 2 363.440 3.412 20 30 FGEDLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181415193 496385458 /nfs/dbraw/zinc/38/54/58/496385458.db2.gz QZSNUGXWOZAURT-IBGZPJMESA-N 3 2 354.542 3.377 20 30 FGEDLP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181415193 496385462 /nfs/dbraw/zinc/38/54/62/496385462.db2.gz QZSNUGXWOZAURT-IBGZPJMESA-N 3 2 354.542 3.377 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157026642 496388377 /nfs/dbraw/zinc/38/83/77/496388377.db2.gz IVTYNHVWSDWYNQ-CBQOVEMMSA-N 2 2 370.541 3.026 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157026642 496388383 /nfs/dbraw/zinc/38/83/83/496388383.db2.gz IVTYNHVWSDWYNQ-CBQOVEMMSA-N 2 2 370.541 3.026 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157026642 496388386 /nfs/dbraw/zinc/38/83/86/496388386.db2.gz IVTYNHVWSDWYNQ-CBQOVEMMSA-N 2 2 370.541 3.026 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157026642 496388390 /nfs/dbraw/zinc/38/83/90/496388390.db2.gz IVTYNHVWSDWYNQ-CBQOVEMMSA-N 2 2 370.541 3.026 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(-n4cccn4)cc3)CC2)cc1 ZINC000181509952 496426120 /nfs/dbraw/zinc/42/61/20/496426120.db2.gz HMQRGFBPCDDJFN-UHFFFAOYSA-N 2 2 371.488 3.498 20 30 FGEDLP FC(F)(F)Oc1ccc(C#CC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000157314634 496452769 /nfs/dbraw/zinc/45/27/69/496452769.db2.gz PXELSLWJYNLTRX-SFHVURJKSA-N 2 2 362.351 3.485 20 30 FGEDLP FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000157314634 496452773 /nfs/dbraw/zinc/45/27/73/496452773.db2.gz PXELSLWJYNLTRX-SFHVURJKSA-N 2 2 362.351 3.485 20 30 FGEDLP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccsc1 ZINC000181796888 496548749 /nfs/dbraw/zinc/54/87/49/496548749.db2.gz SJCZBHWMKXZYCN-FQEVSTJZSA-N 2 2 355.507 3.081 20 30 FGEDLP C[C@H](C[C@H](O)c1ccco1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181912990 496597201 /nfs/dbraw/zinc/59/72/01/496597201.db2.gz BGVSUSSLMPPEKL-UZLBHIALSA-N 2 2 353.466 3.217 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247471294 496865372 /nfs/dbraw/zinc/86/53/72/496865372.db2.gz JGVIACBCQFVXCT-IEBWSBKVSA-N 2 2 374.504 3.267 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247471294 496865376 /nfs/dbraw/zinc/86/53/76/496865376.db2.gz JGVIACBCQFVXCT-IEBWSBKVSA-N 2 2 374.504 3.267 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247471294 496865383 /nfs/dbraw/zinc/86/53/83/496865383.db2.gz JGVIACBCQFVXCT-IEBWSBKVSA-N 2 2 374.504 3.267 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247471294 496865386 /nfs/dbraw/zinc/86/53/86/496865386.db2.gz JGVIACBCQFVXCT-IEBWSBKVSA-N 2 2 374.504 3.267 20 30 FGEDLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000572170340 505906353 /nfs/dbraw/zinc/90/63/53/505906353.db2.gz MMTFNTDQYSZYFH-CQSZACIVSA-N 2 2 373.501 3.147 20 30 FGEDLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000572170339 505906627 /nfs/dbraw/zinc/90/66/27/505906627.db2.gz MMTFNTDQYSZYFH-AWEZNQCLSA-N 2 2 373.501 3.147 20 30 FGEDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000245569331 497461160 /nfs/dbraw/zinc/46/11/60/497461160.db2.gz WCGANNXXQDMZPO-HKUYNNGSSA-N 2 2 351.498 3.292 20 30 FGEDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000245569331 497461164 /nfs/dbraw/zinc/46/11/64/497461164.db2.gz WCGANNXXQDMZPO-HKUYNNGSSA-N 2 2 351.498 3.292 20 30 FGEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000245569331 497461170 /nfs/dbraw/zinc/46/11/70/497461170.db2.gz WCGANNXXQDMZPO-HKUYNNGSSA-N 2 2 351.498 3.292 20 30 FGEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000245569331 497461174 /nfs/dbraw/zinc/46/11/74/497461174.db2.gz WCGANNXXQDMZPO-HKUYNNGSSA-N 2 2 351.498 3.292 20 30 FGEDLP CN(C(=O)c1sccc1C#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245714697 497513760 /nfs/dbraw/zinc/51/37/60/497513760.db2.gz OGXIAJIIHHXCFT-QZTJIDSGSA-N 2 2 374.554 3.029 20 30 FGEDLP CN(C(=O)c1sccc1C#N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245714697 497513762 /nfs/dbraw/zinc/51/37/62/497513762.db2.gz OGXIAJIIHHXCFT-QZTJIDSGSA-N 2 2 374.554 3.029 20 30 FGEDLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000329900748 497945007 /nfs/dbraw/zinc/94/50/07/497945007.db2.gz OBHLPHKOMLUVHI-UHFFFAOYSA-N 2 2 368.481 3.130 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000329985695 497981333 /nfs/dbraw/zinc/98/13/33/497981333.db2.gz DMXOBMXILRMTNO-NVXWUHKLSA-N 2 2 369.513 3.378 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000329985695 497981336 /nfs/dbraw/zinc/98/13/36/497981336.db2.gz DMXOBMXILRMTNO-NVXWUHKLSA-N 2 2 369.513 3.378 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C1CCN(C([O-])=[NH+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000329985695 497981340 /nfs/dbraw/zinc/98/13/40/497981340.db2.gz DMXOBMXILRMTNO-NVXWUHKLSA-N 2 2 369.513 3.378 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C1CCN(C([O-])=[NH+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000329985695 497981344 /nfs/dbraw/zinc/98/13/44/497981344.db2.gz DMXOBMXILRMTNO-NVXWUHKLSA-N 2 2 369.513 3.378 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000361666278 498417717 /nfs/dbraw/zinc/41/77/17/498417717.db2.gz DLBBBPYZJLKFGN-ZWKOTPCHSA-N 2 2 371.529 3.202 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000361666278 498417722 /nfs/dbraw/zinc/41/77/22/498417722.db2.gz DLBBBPYZJLKFGN-ZWKOTPCHSA-N 2 2 371.529 3.202 20 30 FGEDLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000328777307 498934865 /nfs/dbraw/zinc/93/48/65/498934865.db2.gz DALQJZMHICVYJU-IERDGZPVSA-N 2 2 373.497 3.242 20 30 FGEDLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000328777307 498934873 /nfs/dbraw/zinc/93/48/73/498934873.db2.gz DALQJZMHICVYJU-IERDGZPVSA-N 2 2 373.497 3.242 20 30 FGEDLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000328777307 498934877 /nfs/dbraw/zinc/93/48/77/498934877.db2.gz DALQJZMHICVYJU-IERDGZPVSA-N 2 2 373.497 3.242 20 30 FGEDLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000328777307 498934885 /nfs/dbraw/zinc/93/48/85/498934885.db2.gz DALQJZMHICVYJU-IERDGZPVSA-N 2 2 373.497 3.242 20 30 FGEDLP Cc1ccc(C2CCN(C([O-])=[NH+]C[C@@H]3CCCn4cc[nH+]c43)CC2)c[nH+]1 ZINC000329343458 499104581 /nfs/dbraw/zinc/10/45/81/499104581.db2.gz TVLNUWMHAFIEFI-SFHVURJKSA-N 2 2 353.470 3.258 20 30 FGEDLP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@H]2C)ccc1C#N ZINC000366928216 499117498 /nfs/dbraw/zinc/11/74/98/499117498.db2.gz RXQZWLSIVYVASU-KUHUBIRLSA-N 2 2 370.522 3.332 20 30 FGEDLP COc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@H]2C)ccc1C#N ZINC000366928216 499117501 /nfs/dbraw/zinc/11/75/01/499117501.db2.gz RXQZWLSIVYVASU-KUHUBIRLSA-N 2 2 370.522 3.332 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000369218958 499378870 /nfs/dbraw/zinc/37/88/70/499378870.db2.gz BBSBKTFJVVDFHR-WIYYLYMNSA-N 2 2 364.493 3.374 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000369218958 499378872 /nfs/dbraw/zinc/37/88/72/499378872.db2.gz BBSBKTFJVVDFHR-WIYYLYMNSA-N 2 2 364.493 3.374 20 30 FGEDLP C=CCC[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000426824529 500325433 /nfs/dbraw/zinc/32/54/33/500325433.db2.gz IHLPINPXYLHYTH-NRFANRHFSA-N 2 2 357.542 3.221 20 30 FGEDLP C=CCC[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000426824529 500325437 /nfs/dbraw/zinc/32/54/37/500325437.db2.gz IHLPINPXYLHYTH-NRFANRHFSA-N 2 2 357.542 3.221 20 30 FGEDLP CC[NH+]1CCC([N@@H+]2CCCN(CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000420974430 500545410 /nfs/dbraw/zinc/54/54/10/500545410.db2.gz DRNSPMDSTQYZQH-UHFFFAOYSA-N 2 2 359.945 3.184 20 30 FGEDLP CC[NH+]1CCC([N@H+]2CCCN(CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000420974430 500545412 /nfs/dbraw/zinc/54/54/12/500545412.db2.gz DRNSPMDSTQYZQH-UHFFFAOYSA-N 2 2 359.945 3.184 20 30 FGEDLP CC[NH+]1CCC(N2CCC[N@H+](CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000420974430 500545414 /nfs/dbraw/zinc/54/54/14/500545414.db2.gz DRNSPMDSTQYZQH-UHFFFAOYSA-N 2 2 359.945 3.184 20 30 FGEDLP CC[NH+]1CCC(N2CCC[N@@H+](CC#Cc3cccc(Cl)c3)CC2)CC1 ZINC000420974430 500545417 /nfs/dbraw/zinc/54/54/17/500545417.db2.gz DRNSPMDSTQYZQH-UHFFFAOYSA-N 2 2 359.945 3.184 20 30 FGEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000444167269 500812205 /nfs/dbraw/zinc/81/22/05/500812205.db2.gz LHJZRISPMPNZIK-LSNYBQGISA-N 2 2 362.562 3.112 20 30 FGEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000444167269 500812208 /nfs/dbraw/zinc/81/22/08/500812208.db2.gz LHJZRISPMPNZIK-LSNYBQGISA-N 2 2 362.562 3.112 20 30 FGEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000444167269 500812211 /nfs/dbraw/zinc/81/22/11/500812211.db2.gz LHJZRISPMPNZIK-LSNYBQGISA-N 2 2 362.562 3.112 20 30 FGEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000444167269 500812213 /nfs/dbraw/zinc/81/22/13/500812213.db2.gz LHJZRISPMPNZIK-LSNYBQGISA-N 2 2 362.562 3.112 20 30 FGEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2Br)C1 ZINC000481124368 502760704 /nfs/dbraw/zinc/76/07/04/502760704.db2.gz YOCOOFPQLSPLCH-INIZCTEOSA-N 2 2 362.315 3.484 20 30 FGEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2Br)C1 ZINC000481124368 502760708 /nfs/dbraw/zinc/76/07/08/502760708.db2.gz YOCOOFPQLSPLCH-INIZCTEOSA-N 2 2 362.315 3.484 20 30 FGEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000481124368 502760712 /nfs/dbraw/zinc/76/07/12/502760712.db2.gz YOCOOFPQLSPLCH-INIZCTEOSA-N 2 2 362.315 3.484 20 30 FGEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000481124368 502760715 /nfs/dbraw/zinc/76/07/15/502760715.db2.gz YOCOOFPQLSPLCH-INIZCTEOSA-N 2 2 362.315 3.484 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21)C(C)C ZINC000502632664 503242124 /nfs/dbraw/zinc/24/21/24/503242124.db2.gz WLTZIHVFZQHQON-RBUKOAKNSA-N 2 2 373.545 3.067 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21)C(C)C ZINC000502632663 503242434 /nfs/dbraw/zinc/24/24/34/503242434.db2.gz WLTZIHVFZQHQON-OALUTQOASA-N 2 2 373.545 3.067 20 30 FGEDLP C=C(C)C[NH+]1CCC(NC(=O)NCCC[N@@H+](CC)c2ccccc2)CC1 ZINC000519281881 504182826 /nfs/dbraw/zinc/18/28/26/504182826.db2.gz ORQNQYJHARCTLR-UHFFFAOYSA-N 2 2 358.530 3.243 20 30 FGEDLP C=C(C)C[NH+]1CCC(NC(=O)NCCC[N@H+](CC)c2ccccc2)CC1 ZINC000519281881 504182833 /nfs/dbraw/zinc/18/28/33/504182833.db2.gz ORQNQYJHARCTLR-UHFFFAOYSA-N 2 2 358.530 3.243 20 30 FGEDLP C[NH+](C)CCN(CCCc1ccccc1)Cc1c[nH+]c2ccc(C#N)cn12 ZINC000561976934 505483255 /nfs/dbraw/zinc/48/32/55/505483255.db2.gz YUNOIIWSGMVIHE-UHFFFAOYSA-N 2 2 361.493 3.202 20 30 FGEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582729184 506385855 /nfs/dbraw/zinc/38/58/55/506385855.db2.gz CKLXUPTWLBDONE-OXJNMPFZSA-N 2 2 364.449 3.467 20 30 FGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582729184 506385863 /nfs/dbraw/zinc/38/58/63/506385863.db2.gz CKLXUPTWLBDONE-OXJNMPFZSA-N 2 2 364.449 3.467 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000593693007 506734868 /nfs/dbraw/zinc/73/48/68/506734868.db2.gz LOUQRQORTSFOMH-UHFFFAOYSA-N 2 2 356.451 3.282 20 30 FGEDLP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000594441047 507134883 /nfs/dbraw/zinc/13/48/83/507134883.db2.gz LPHFZICEHICWDF-SFHVURJKSA-N 2 2 351.454 3.236 20 30 FGEDLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594996784 507346566 /nfs/dbraw/zinc/34/65/66/507346566.db2.gz ZPBPTTCLFRHXOW-HSZRJFAPSA-N 2 2 374.532 3.148 20 30 FGEDLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594996784 507346570 /nfs/dbraw/zinc/34/65/70/507346570.db2.gz ZPBPTTCLFRHXOW-HSZRJFAPSA-N 2 2 374.532 3.148 20 30 FGEDLP CCOc1cncc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC000598650085 507532567 /nfs/dbraw/zinc/53/25/67/507532567.db2.gz LWXCRWHRFQBFAK-UHFFFAOYSA-N 2 2 350.466 3.106 20 30 FGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000602545691 507744388 /nfs/dbraw/zinc/74/43/88/507744388.db2.gz NXXBQSRDGBTIGL-GOSISDBHSA-N 2 2 365.587 3.427 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2CCC[C@@H]2CC)c1=S ZINC000727824765 722447708 /nfs/dbraw/zinc/44/77/08/722447708.db2.gz REYCGVWPHABBFS-KRWDZBQOSA-N 2 2 363.575 3.460 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2CCC[C@@H]2CC)c1=S ZINC000727824765 722447709 /nfs/dbraw/zinc/44/77/09/722447709.db2.gz REYCGVWPHABBFS-KRWDZBQOSA-N 2 2 363.575 3.460 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740861252 722538571 /nfs/dbraw/zinc/53/85/71/722538571.db2.gz MFOXHXLAZDZJNX-DLBZAZTESA-N 2 2 363.575 3.316 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+]2C[C@@H](C)C[C@H]2C)c1=S ZINC000740861252 722538572 /nfs/dbraw/zinc/53/85/72/722538572.db2.gz MFOXHXLAZDZJNX-DLBZAZTESA-N 2 2 363.575 3.316 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000765833531 723543490 /nfs/dbraw/zinc/54/34/90/723543490.db2.gz MHSUVLJMOUFWIM-INIZCTEOSA-N 2 2 363.933 3.478 20 30 FGEDLP C=C(CC[NH+](C)C)C(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000907939098 744249178 /nfs/dbraw/zinc/24/91/78/744249178.db2.gz LSGOLFCKSSPPDE-UHFFFAOYSA-N 2 2 360.889 3.073 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924983058 759427568 /nfs/dbraw/zinc/42/75/68/759427568.db2.gz ARKSGLDUVGLNFC-KRWDZBQOSA-N 2 2 350.304 3.462 20 30 FGEDLP COc1cc(C#N)ccc1C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328642164 210122387 /nfs/dbraw/zinc/12/23/87/210122387.db2.gz QWWITCUUOSWUCP-FPOVZHCZSA-N 2 2 350.466 3.087 20 30 FGEDLP COc1cc(C#N)ccc1C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328642164 210122389 /nfs/dbraw/zinc/12/23/89/210122389.db2.gz QWWITCUUOSWUCP-FPOVZHCZSA-N 2 2 350.466 3.087 20 30 FGEDLP COc1cc(C#N)ccc1C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328642164 210122395 /nfs/dbraw/zinc/12/23/95/210122395.db2.gz QWWITCUUOSWUCP-FPOVZHCZSA-N 2 2 350.466 3.087 20 30 FGEDLP COc1cc(C#N)ccc1C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328642164 210122398 /nfs/dbraw/zinc/12/23/98/210122398.db2.gz QWWITCUUOSWUCP-FPOVZHCZSA-N 2 2 350.466 3.087 20 30 FGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000080961752 493800963 /nfs/dbraw/zinc/80/09/63/493800963.db2.gz COWHBVLMIAFKEA-GOSISDBHSA-N 2 2 365.481 3.153 20 30 FGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000080961752 493800968 /nfs/dbraw/zinc/80/09/68/493800968.db2.gz COWHBVLMIAFKEA-GOSISDBHSA-N 2 2 365.481 3.153 20 30 FGEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000076001973 493807861 /nfs/dbraw/zinc/80/78/61/493807861.db2.gz DODIPSBPFOOYKJ-ROUUACIJSA-N 2 2 374.504 3.125 20 30 FGEDLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000076001973 493807863 /nfs/dbraw/zinc/80/78/63/493807863.db2.gz DODIPSBPFOOYKJ-ROUUACIJSA-N 2 2 374.504 3.125 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984246 493807931 /nfs/dbraw/zinc/80/79/31/493807931.db2.gz GDDOCKIBTLGJAV-OCCSQVGLSA-N 2 2 357.845 3.141 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984246 493807932 /nfs/dbraw/zinc/80/79/32/493807932.db2.gz GDDOCKIBTLGJAV-OCCSQVGLSA-N 2 2 357.845 3.141 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868882 494272897 /nfs/dbraw/zinc/27/28/97/494272897.db2.gz SMJGQXXADDDTOJ-FPOVZHCZSA-N 2 2 357.542 3.253 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868882 494272901 /nfs/dbraw/zinc/27/29/01/494272901.db2.gz SMJGQXXADDDTOJ-FPOVZHCZSA-N 2 2 357.542 3.253 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868882 494272905 /nfs/dbraw/zinc/27/29/05/494272905.db2.gz SMJGQXXADDDTOJ-FPOVZHCZSA-N 2 2 357.542 3.253 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868882 494272909 /nfs/dbraw/zinc/27/29/09/494272909.db2.gz SMJGQXXADDDTOJ-FPOVZHCZSA-N 2 2 357.542 3.253 20 30 FGEDLP Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c(C#N)c1C ZINC000123369885 495121964 /nfs/dbraw/zinc/12/19/64/495121964.db2.gz DGXVTGXSCNURSE-OAHLLOKOSA-N 2 2 360.502 3.149 20 30 FGEDLP C=CCOc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1Cl ZINC000119508708 495179550 /nfs/dbraw/zinc/17/95/50/495179550.db2.gz PDAMAUYUJGONOL-UHFFFAOYSA-N 2 2 363.933 3.118 20 30 FGEDLP C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC([NH+](C)C)CC3)sc2C1 ZINC000134983415 495234859 /nfs/dbraw/zinc/23/48/59/495234859.db2.gz NHYPMTHPAJQNDD-AWEZNQCLSA-N 2 2 374.554 3.099 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000130304265 495370983 /nfs/dbraw/zinc/37/09/83/495370983.db2.gz YSVWZWJWZQTYDG-IBGZPJMESA-N 2 2 370.541 3.401 20 30 FGEDLP Cc1cc(N(CCC#N)C(=O)C[N@H+](C)CCCn2cc[nH+]c2)ccc1Cl ZINC000181112780 496275805 /nfs/dbraw/zinc/27/58/05/496275805.db2.gz ORTJFCUSUJIVKW-UHFFFAOYSA-N 2 2 373.888 3.114 20 30 FGEDLP Cc1cc(N(CCC#N)C(=O)C[N@@H+](C)CCCn2cc[nH+]c2)ccc1Cl ZINC000181112780 496275808 /nfs/dbraw/zinc/27/58/08/496275808.db2.gz ORTJFCUSUJIVKW-UHFFFAOYSA-N 2 2 373.888 3.114 20 30 FGEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181125446 496279047 /nfs/dbraw/zinc/27/90/47/496279047.db2.gz QLNPXYKYCUJATH-HNNXBMFYSA-N 2 2 350.304 3.484 20 30 FGEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000181125446 496279049 /nfs/dbraw/zinc/27/90/49/496279049.db2.gz QLNPXYKYCUJATH-HNNXBMFYSA-N 2 2 350.304 3.484 20 30 FGEDLP CC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000156595633 496289299 /nfs/dbraw/zinc/28/92/99/496289299.db2.gz GJTKGVRKOJDFRC-OAQYLSRUSA-N 2 2 364.493 3.225 20 30 FGEDLP CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000156595633 496289306 /nfs/dbraw/zinc/28/93/06/496289306.db2.gz GJTKGVRKOJDFRC-OAQYLSRUSA-N 2 2 364.493 3.225 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000152988710 496316807 /nfs/dbraw/zinc/31/68/07/496316807.db2.gz UHSHQXKZAPKXRP-UHFFFAOYSA-N 3 2 359.533 3.463 20 30 FGEDLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1cccc(C#N)c1 ZINC000181612963 496470253 /nfs/dbraw/zinc/47/02/53/496470253.db2.gz KCOHJXUDBDVONN-SFHVURJKSA-N 2 2 365.477 3.120 20 30 FGEDLP C=CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1cccs1 ZINC000181641192 496482395 /nfs/dbraw/zinc/48/23/95/496482395.db2.gz BQWPBIORQCOODC-LJQANCHMSA-N 2 2 357.523 3.155 20 30 FGEDLP C=CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1cccs1 ZINC000181641192 496482398 /nfs/dbraw/zinc/48/23/98/496482398.db2.gz BQWPBIORQCOODC-LJQANCHMSA-N 2 2 357.523 3.155 20 30 FGEDLP Cc1cccc(C[C@@H](CO)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000191603295 496828536 /nfs/dbraw/zinc/82/85/36/496828536.db2.gz LOEFYLFPPRSZJJ-QHCPKHFHSA-N 2 2 363.505 3.024 20 30 FGEDLP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCCCC1 ZINC000188661323 496869078 /nfs/dbraw/zinc/86/90/78/496869078.db2.gz BSTHSMSYIKZPPP-JOCHJYFZSA-N 2 2 355.526 3.444 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245458627 497416931 /nfs/dbraw/zinc/41/69/31/497416931.db2.gz UXNIOKFJAMRRRK-ZWKOTPCHSA-N 2 2 363.571 3.457 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245458627 497416933 /nfs/dbraw/zinc/41/69/33/497416933.db2.gz UXNIOKFJAMRRRK-ZWKOTPCHSA-N 2 2 363.571 3.457 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245458627 497416939 /nfs/dbraw/zinc/41/69/39/497416939.db2.gz UXNIOKFJAMRRRK-ZWKOTPCHSA-N 2 2 363.571 3.457 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245458627 497416942 /nfs/dbraw/zinc/41/69/42/497416942.db2.gz UXNIOKFJAMRRRK-ZWKOTPCHSA-N 2 2 363.571 3.457 20 30 FGEDLP CN(C)[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccsc1 ZINC000271822257 497461379 /nfs/dbraw/zinc/46/13/79/497461379.db2.gz CLIJBIPLZHDFCJ-NRFANRHFSA-N 2 2 368.550 3.477 20 30 FGEDLP C[NH+](C)[C@@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccsc1 ZINC000271822257 497461383 /nfs/dbraw/zinc/46/13/83/497461383.db2.gz CLIJBIPLZHDFCJ-NRFANRHFSA-N 2 2 368.550 3.477 20 30 FGEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000271874248 497477422 /nfs/dbraw/zinc/47/74/22/497477422.db2.gz NQUJEGIOYLNERH-UHFFFAOYSA-N 2 2 365.477 3.330 20 30 FGEDLP CC[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261985181 497487301 /nfs/dbraw/zinc/48/73/01/497487301.db2.gz PWUSJQMTOVTFIU-RLFYNMQTSA-N 2 2 372.517 3.140 20 30 FGEDLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C#N)c(F)c1 ZINC000272162841 497552808 /nfs/dbraw/zinc/55/28/08/497552808.db2.gz BXXZSICPUOJPQJ-KSSFIOAISA-N 2 2 353.445 3.406 20 30 FGEDLP Cc1nc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2c([nH+]1)CCCC2 ZINC000301559378 498162861 /nfs/dbraw/zinc/16/28/61/498162861.db2.gz JRKCSOCNXZOVOW-UHFFFAOYSA-N 2 2 361.493 3.248 20 30 FGEDLP Cc1nc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c2c([nH+]1)CCCC2 ZINC000301559378 498162868 /nfs/dbraw/zinc/16/28/68/498162868.db2.gz JRKCSOCNXZOVOW-UHFFFAOYSA-N 2 2 361.493 3.248 20 30 FGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000328863743 498965256 /nfs/dbraw/zinc/96/52/56/498965256.db2.gz VWYZBTZDHCNBJW-AEFFLSMTSA-N 2 2 367.497 3.059 20 30 FGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000328863743 498965264 /nfs/dbraw/zinc/96/52/64/498965264.db2.gz VWYZBTZDHCNBJW-AEFFLSMTSA-N 2 2 367.497 3.059 20 30 FGEDLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000328880164 498972011 /nfs/dbraw/zinc/97/20/11/498972011.db2.gz VSGJKXSAASCWOU-GOSISDBHSA-N 2 2 373.545 3.312 20 30 FGEDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000329516062 499128832 /nfs/dbraw/zinc/12/88/32/499128832.db2.gz OUFVDXHQAGDTIN-UXHICEINSA-N 2 2 374.573 3.258 20 30 FGEDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000329516062 499128833 /nfs/dbraw/zinc/12/88/33/499128833.db2.gz OUFVDXHQAGDTIN-UXHICEINSA-N 2 2 374.573 3.258 20 30 FGEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000329516062 499128834 /nfs/dbraw/zinc/12/88/34/499128834.db2.gz OUFVDXHQAGDTIN-UXHICEINSA-N 2 2 374.573 3.258 20 30 FGEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000329516062 499128835 /nfs/dbraw/zinc/12/88/35/499128835.db2.gz OUFVDXHQAGDTIN-UXHICEINSA-N 2 2 374.573 3.258 20 30 FGEDLP COc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OCCCC#N ZINC000367698332 499226135 /nfs/dbraw/zinc/22/61/35/499226135.db2.gz FAEHBYJLYNWWHQ-KRWDZBQOSA-N 2 2 354.454 3.101 20 30 FGEDLP COc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OCCCC#N ZINC000367698332 499226136 /nfs/dbraw/zinc/22/61/36/499226136.db2.gz FAEHBYJLYNWWHQ-KRWDZBQOSA-N 2 2 354.454 3.101 20 30 FGEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(C#N)ccc1F ZINC000371158323 499294537 /nfs/dbraw/zinc/29/45/37/499294537.db2.gz RXRKVNZJXROBQY-UHFFFAOYSA-N 3 2 372.532 3.325 20 30 FGEDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc(C#N)ccc1F ZINC000371158323 499294538 /nfs/dbraw/zinc/29/45/38/499294538.db2.gz RXRKVNZJXROBQY-UHFFFAOYSA-N 3 2 372.532 3.325 20 30 FGEDLP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO[C@@H]1C1CC1 ZINC000368651036 499317364 /nfs/dbraw/zinc/31/73/64/499317364.db2.gz FJCBDUOQAWYHOM-FGZHOGPDSA-N 2 2 353.510 3.317 20 30 FGEDLP C=CCN(C(=O)[C@H]1CCCn2cc[nH+]c21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000371827355 499369194 /nfs/dbraw/zinc/36/91/94/499369194.db2.gz USMIGATWFWTKEJ-PMACEKPBSA-N 2 2 364.493 3.050 20 30 FGEDLP C=CCN(C(=O)[C@H]1CCCn2cc[nH+]c21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000371827355 499369196 /nfs/dbraw/zinc/36/91/96/499369196.db2.gz USMIGATWFWTKEJ-PMACEKPBSA-N 2 2 364.493 3.050 20 30 FGEDLP C[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000378496385 499524321 /nfs/dbraw/zinc/52/43/21/499524321.db2.gz NKUJGQVXFOJOQG-QGZVFWFLSA-N 2 2 363.509 3.407 20 30 FGEDLP C[C@@H]1CCC[N@H+]1C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000378496385 499524323 /nfs/dbraw/zinc/52/43/23/499524323.db2.gz NKUJGQVXFOJOQG-QGZVFWFLSA-N 2 2 363.509 3.407 20 30 FGEDLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000434015928 500782073 /nfs/dbraw/zinc/78/20/73/500782073.db2.gz FGDXUCNXDPLOGB-PZJWPPBQSA-N 2 2 351.498 3.197 20 30 FGEDLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000434015928 500782077 /nfs/dbraw/zinc/78/20/77/500782077.db2.gz FGDXUCNXDPLOGB-PZJWPPBQSA-N 2 2 351.498 3.197 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000434015928 500782080 /nfs/dbraw/zinc/78/20/80/500782080.db2.gz FGDXUCNXDPLOGB-PZJWPPBQSA-N 2 2 351.498 3.197 20 30 FGEDLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000434015928 500782082 /nfs/dbraw/zinc/78/20/82/500782082.db2.gz FGDXUCNXDPLOGB-PZJWPPBQSA-N 2 2 351.498 3.197 20 30 FGEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000444167271 500812466 /nfs/dbraw/zinc/81/24/66/500812466.db2.gz LHJZRISPMPNZIK-XTBIFASLSA-N 2 2 362.562 3.112 20 30 FGEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000444167271 500812468 /nfs/dbraw/zinc/81/24/68/500812468.db2.gz LHJZRISPMPNZIK-XTBIFASLSA-N 2 2 362.562 3.112 20 30 FGEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000444167271 500812470 /nfs/dbraw/zinc/81/24/70/500812470.db2.gz LHJZRISPMPNZIK-XTBIFASLSA-N 2 2 362.562 3.112 20 30 FGEDLP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000444167271 500812473 /nfs/dbraw/zinc/81/24/73/500812473.db2.gz LHJZRISPMPNZIK-XTBIFASLSA-N 2 2 362.562 3.112 20 30 FGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000602575691 506222269 /nfs/dbraw/zinc/22/22/69/506222269.db2.gz WRFHZVZFKPVDFO-MSOLQXFVSA-N 2 2 356.514 3.296 20 30 FGEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439450474 500898788 /nfs/dbraw/zinc/89/87/88/500898788.db2.gz KWNBJELYFYODMM-CALCHBBNSA-N 2 2 360.933 3.202 20 30 FGEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439450474 500898793 /nfs/dbraw/zinc/89/87/93/500898793.db2.gz KWNBJELYFYODMM-CALCHBBNSA-N 2 2 360.933 3.202 20 30 FGEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000435739947 501020737 /nfs/dbraw/zinc/02/07/37/501020737.db2.gz ZGOCDDYWSKSHJI-BBRMVZONSA-N 2 2 364.287 3.476 20 30 FGEDLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1oc(C)c(C)c1C#N ZINC000482145943 501988669 /nfs/dbraw/zinc/98/86/69/501988669.db2.gz PFZJNULUJIVWNW-FUHWJXTLSA-N 2 2 360.502 3.197 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464840322 502115320 /nfs/dbraw/zinc/11/53/20/502115320.db2.gz SMJGQXXADDDTOJ-PZJWPPBQSA-N 2 2 357.542 3.253 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464840322 502115324 /nfs/dbraw/zinc/11/53/24/502115324.db2.gz SMJGQXXADDDTOJ-PZJWPPBQSA-N 2 2 357.542 3.253 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464840322 502115330 /nfs/dbraw/zinc/11/53/30/502115330.db2.gz SMJGQXXADDDTOJ-PZJWPPBQSA-N 2 2 357.542 3.253 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464840322 502115336 /nfs/dbraw/zinc/11/53/36/502115336.db2.gz SMJGQXXADDDTOJ-PZJWPPBQSA-N 2 2 357.542 3.253 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000469859310 502571677 /nfs/dbraw/zinc/57/16/77/502571677.db2.gz BCPINLNPEOGCSI-TZMCWYRMSA-N 2 2 369.303 3.192 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000469859310 502571682 /nfs/dbraw/zinc/57/16/82/502571682.db2.gz BCPINLNPEOGCSI-TZMCWYRMSA-N 2 2 369.303 3.192 20 30 FGEDLP CC(C)Oc1cc[nH+]c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000592997719 506325378 /nfs/dbraw/zinc/32/53/78/506325378.db2.gz QNNLEIJKYRWWKU-UHFFFAOYSA-N 2 2 364.493 3.448 20 30 FGEDLP CC(C)Oc1cc[nH+]c(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000592997719 506325385 /nfs/dbraw/zinc/32/53/85/506325385.db2.gz QNNLEIJKYRWWKU-UHFFFAOYSA-N 2 2 364.493 3.448 20 30 FGEDLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3ccc(Cl)cc3C#N)CC2)CC1 ZINC000480864923 502693122 /nfs/dbraw/zinc/69/31/22/502693122.db2.gz BNZSOGARXVNXOC-UHFFFAOYSA-N 2 2 360.933 3.202 20 30 FGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000498358837 503166758 /nfs/dbraw/zinc/16/67/58/503166758.db2.gz HXLALTJGGDUTTK-FQEVSTJZSA-N 2 2 352.482 3.301 20 30 FGEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000516689523 503570024 /nfs/dbraw/zinc/57/00/24/503570024.db2.gz HAOMPNHOOUTBAG-MRXNPFEDSA-N 2 2 355.404 3.023 20 30 FGEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000516689523 503570027 /nfs/dbraw/zinc/57/00/27/503570027.db2.gz HAOMPNHOOUTBAG-MRXNPFEDSA-N 2 2 355.404 3.023 20 30 FGEDLP C=CC[N@H+](Cc1cccc2[nH+]ccn21)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000540481561 503785761 /nfs/dbraw/zinc/78/57/61/503785761.db2.gz CDFRVGKEDYGEQI-MRXNPFEDSA-N 2 2 359.437 3.059 20 30 FGEDLP C=CC[N@@H+](Cc1cccc2[nH+]ccn21)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000540481561 503785766 /nfs/dbraw/zinc/78/57/66/503785766.db2.gz CDFRVGKEDYGEQI-MRXNPFEDSA-N 2 2 359.437 3.059 20 30 FGEDLP COC(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1C#N ZINC000541599462 504194218 /nfs/dbraw/zinc/19/42/18/504194218.db2.gz NCPXDYAXJFGYTF-WBVHZDCISA-N 2 2 355.482 3.087 20 30 FGEDLP COC(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1C#N ZINC000541599462 504194225 /nfs/dbraw/zinc/19/42/25/504194225.db2.gz NCPXDYAXJFGYTF-WBVHZDCISA-N 2 2 355.482 3.087 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000531719621 504402836 /nfs/dbraw/zinc/40/28/36/504402836.db2.gz TVHOGDKTKRDEFR-CQSZACIVSA-N 2 2 365.905 3.306 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(I)c2)CC1 ZINC000551184663 505173644 /nfs/dbraw/zinc/17/36/44/505173644.db2.gz MPCARQFVVMRCPM-UHFFFAOYSA-N 2 2 356.251 3.031 20 30 FGEDLP C(#CC[N@@H+]1CCC=C(c2ccccn2)C1)C[NH+]1CCC=C(c2ccccn2)C1 ZINC000566804274 505276895 /nfs/dbraw/zinc/27/68/95/505276895.db2.gz BHFMHOWZJLSBAR-UHFFFAOYSA-N 2 2 370.500 3.358 20 30 FGEDLP C(#CC[N@H+]1CCC=C(c2ccccn2)C1)C[NH+]1CCC=C(c2ccccn2)C1 ZINC000566804274 505276899 /nfs/dbraw/zinc/27/68/99/505276899.db2.gz BHFMHOWZJLSBAR-UHFFFAOYSA-N 2 2 370.500 3.358 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000593323767 506542012 /nfs/dbraw/zinc/54/20/12/506542012.db2.gz WRMKNVFREYYWFT-BHIFYINESA-N 3 2 352.526 3.033 20 30 FGEDLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593324128 506542336 /nfs/dbraw/zinc/54/23/36/506542336.db2.gz YFQRYYYNWQOLJI-PGRDOPGGSA-N 3 2 354.542 3.423 20 30 FGEDLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C12CCC2 ZINC000593703394 506741736 /nfs/dbraw/zinc/74/17/36/506741736.db2.gz SSLKVFICPUOJMV-NHCUHLMSSA-N 2 2 353.510 3.460 20 30 FGEDLP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]2CCCO[C@@H]21 ZINC000593721422 506747229 /nfs/dbraw/zinc/74/72/29/506747229.db2.gz LRDZIMDTXPDSLF-NJYVYQBISA-N 2 2 353.510 3.316 20 30 FGEDLP C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594439370 507133598 /nfs/dbraw/zinc/13/35/98/507133598.db2.gz VEVLXKLSIGXQAE-GOSISDBHSA-N 2 2 371.510 3.125 20 30 FGEDLP C[N@@H+](Cc1cscn1)Cc1cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594439370 507133604 /nfs/dbraw/zinc/13/36/04/507133604.db2.gz VEVLXKLSIGXQAE-GOSISDBHSA-N 2 2 371.510 3.125 20 30 FGEDLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3CCc4cc(C#N)ccc43)c2cc1C ZINC000591763879 507352117 /nfs/dbraw/zinc/35/21/17/507352117.db2.gz PDYRVOXMCOIDMH-AZUAARDMSA-N 2 2 360.461 3.163 20 30 FGEDLP C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@@H+]1CCc2sccc2C1 ZINC000262308575 713723534 /nfs/dbraw/zinc/72/35/34/713723534.db2.gz RXOVMWAXTVPKBF-NSHDSACASA-N 2 2 350.438 3.200 20 30 FGEDLP C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@H+]1CCc2sccc2C1 ZINC000262308575 713723537 /nfs/dbraw/zinc/72/35/37/713723537.db2.gz RXOVMWAXTVPKBF-NSHDSACASA-N 2 2 350.438 3.200 20 30 FGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1OC ZINC000629657429 716332261 /nfs/dbraw/zinc/33/22/61/716332261.db2.gz XSJXTYRYNFRYPM-GJZGRUSLSA-N 2 2 358.404 3.219 20 30 FGEDLP C=CCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1OC ZINC000629657429 716332265 /nfs/dbraw/zinc/33/22/65/716332265.db2.gz XSJXTYRYNFRYPM-GJZGRUSLSA-N 2 2 358.404 3.219 20 30 FGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000815652510 727088918 /nfs/dbraw/zinc/08/89/18/727088918.db2.gz GJJRSGGGJBYKMC-MRXNPFEDSA-N 2 2 351.288 3.208 20 30 FGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000815652510 727088920 /nfs/dbraw/zinc/08/89/20/727088920.db2.gz GJJRSGGGJBYKMC-MRXNPFEDSA-N 2 2 351.288 3.208 20 30 FGEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000815652126 727089086 /nfs/dbraw/zinc/08/90/86/727089086.db2.gz QASGRWKBOMBEHW-INIZCTEOSA-N 2 2 351.288 3.208 20 30 FGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000815652126 727089087 /nfs/dbraw/zinc/08/90/87/727089087.db2.gz QASGRWKBOMBEHW-INIZCTEOSA-N 2 2 351.288 3.208 20 30 FGEDLP C=CCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1Cl ZINC000093132687 494830441 /nfs/dbraw/zinc/83/04/41/494830441.db2.gz ICWORDZEDMZXKA-SFHVURJKSA-N 2 2 363.933 3.117 20 30 FGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1Cl ZINC000093132687 494830445 /nfs/dbraw/zinc/83/04/45/494830445.db2.gz ICWORDZEDMZXKA-SFHVURJKSA-N 2 2 363.933 3.117 20 30 FGEDLP N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000134906984 495220286 /nfs/dbraw/zinc/22/02/86/495220286.db2.gz IETJMUXCZQZXND-BEFAXECRSA-N 2 2 372.900 3.099 20 30 FGEDLP N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1Cl ZINC000134906984 495220288 /nfs/dbraw/zinc/22/02/88/495220288.db2.gz IETJMUXCZQZXND-BEFAXECRSA-N 2 2 372.900 3.099 20 30 FGEDLP N#Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1Cl ZINC000134906984 495220289 /nfs/dbraw/zinc/22/02/89/495220289.db2.gz IETJMUXCZQZXND-BEFAXECRSA-N 2 2 372.900 3.099 20 30 FGEDLP N#Cc1ccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1Cl ZINC000134906984 495220291 /nfs/dbraw/zinc/22/02/91/495220291.db2.gz IETJMUXCZQZXND-BEFAXECRSA-N 2 2 372.900 3.099 20 30 FGEDLP C=C(C)COc1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000112678321 495222644 /nfs/dbraw/zinc/22/26/44/495222644.db2.gz GLHYUUUDABHOEJ-UHFFFAOYSA-N 2 2 374.529 3.131 20 30 FGEDLP C=C(C)COc1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000112678321 495222648 /nfs/dbraw/zinc/22/26/48/495222648.db2.gz GLHYUUUDABHOEJ-UHFFFAOYSA-N 2 2 374.529 3.131 20 30 FGEDLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000130632485 495422638 /nfs/dbraw/zinc/42/26/38/495422638.db2.gz FFHZZUZKNYTKIG-UHFFFAOYSA-N 2 2 373.888 3.114 20 30 FGEDLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000130632485 495422644 /nfs/dbraw/zinc/42/26/44/495422644.db2.gz FFHZZUZKNYTKIG-UHFFFAOYSA-N 2 2 373.888 3.114 20 30 FGEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[N@@H+]1C ZINC000177056948 495904781 /nfs/dbraw/zinc/90/47/81/495904781.db2.gz FCGUGUVLXTWFBV-RDJZCZTQSA-N 2 2 362.905 3.001 20 30 FGEDLP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[N@H+]1C ZINC000177056948 495904784 /nfs/dbraw/zinc/90/47/84/495904784.db2.gz FCGUGUVLXTWFBV-RDJZCZTQSA-N 2 2 362.905 3.001 20 30 FGEDLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[NH+]1C ZINC000177056948 495904786 /nfs/dbraw/zinc/90/47/86/495904786.db2.gz FCGUGUVLXTWFBV-RDJZCZTQSA-N 2 2 362.905 3.001 20 30 FGEDLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[NH+]1C ZINC000177056948 495904789 /nfs/dbraw/zinc/90/47/89/495904789.db2.gz FCGUGUVLXTWFBV-RDJZCZTQSA-N 2 2 362.905 3.001 20 30 FGEDLP N#Cc1cccc(OC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)c1 ZINC000177123723 495936534 /nfs/dbraw/zinc/93/65/34/495936534.db2.gz AWVHEVZZPYDLKQ-UHFFFAOYSA-N 2 2 359.433 3.182 20 30 FGEDLP C[NH+](C)CC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000183955259 496175231 /nfs/dbraw/zinc/17/52/31/496175231.db2.gz CQHHXRWAHPMNMA-UHFFFAOYSA-N 3 2 354.542 3.234 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000177904692 496246240 /nfs/dbraw/zinc/24/62/40/496246240.db2.gz LFEQXVCKIWZNIO-MRXNPFEDSA-N 2 2 363.933 3.317 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000181752520 496529834 /nfs/dbraw/zinc/52/98/34/496529834.db2.gz QDZAYPRKBJJSNF-UHFFFAOYSA-N 2 2 361.489 3.290 20 30 FGEDLP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C12CCC2 ZINC000181813711 496555758 /nfs/dbraw/zinc/55/57/58/496555758.db2.gz ZWGYCYBQEPNWLA-RTWAWAEBSA-N 2 2 353.510 3.460 20 30 FGEDLP C[C@](O)(CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000187915653 496618426 /nfs/dbraw/zinc/61/84/26/496618426.db2.gz CNLNALAKMSZPAN-QHCPKHFHSA-N 2 2 363.505 3.410 20 30 FGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](O)Cc1ccccc1 ZINC000182049258 496649291 /nfs/dbraw/zinc/64/92/91/496649291.db2.gz BVACAXAEZAKWLK-JPYJTQIMSA-N 2 2 363.505 3.104 20 30 FGEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CC1 ZINC000195027208 496796649 /nfs/dbraw/zinc/79/66/49/496796649.db2.gz JMOPWZVUQMTDGV-UHFFFAOYSA-N 2 2 362.477 3.170 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266749981 497411573 /nfs/dbraw/zinc/41/15/73/497411573.db2.gz NSQNEWNLUGXCGG-OAHLLOKOSA-N 2 2 358.511 3.254 20 30 FGEDLP C[C@@H](CCO)C1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000271899355 497482736 /nfs/dbraw/zinc/48/27/36/497482736.db2.gz VESLSFGHTUTPFW-SFHVURJKSA-N 2 2 355.526 3.301 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245732167 497520878 /nfs/dbraw/zinc/52/08/78/497520878.db2.gz WDMSPOXRNJLUGX-WSTZPKSXSA-N 2 2 365.481 3.101 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245732167 497520880 /nfs/dbraw/zinc/52/08/80/497520880.db2.gz WDMSPOXRNJLUGX-WSTZPKSXSA-N 2 2 365.481 3.101 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246191010 497654258 /nfs/dbraw/zinc/65/42/58/497654258.db2.gz LYLRVPOSKGSWCB-MSOLQXFVSA-N 2 2 361.555 3.069 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246191010 497654260 /nfs/dbraw/zinc/65/42/60/497654260.db2.gz LYLRVPOSKGSWCB-MSOLQXFVSA-N 2 2 361.555 3.069 20 30 FGEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000330321241 498103873 /nfs/dbraw/zinc/10/38/73/498103873.db2.gz FUELDKSIJSAETM-MDZRGWNJSA-N 2 2 360.502 3.251 20 30 FGEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000330321241 498103875 /nfs/dbraw/zinc/10/38/75/498103875.db2.gz FUELDKSIJSAETM-MDZRGWNJSA-N 2 2 360.502 3.251 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)[C@@H](C)C2)s1 ZINC000365323295 498406158 /nfs/dbraw/zinc/40/61/58/498406158.db2.gz KWLNBDUTTARQBE-ORAYPTAESA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)[C@@H](C)C2)s1 ZINC000365323295 498406165 /nfs/dbraw/zinc/40/61/65/498406165.db2.gz KWLNBDUTTARQBE-ORAYPTAESA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[NH+](CC3CCCCC3)CC1)CCC2 ZINC000328655162 498892073 /nfs/dbraw/zinc/89/20/73/498892073.db2.gz MNNDMGLEVBPWKM-IBGZPJMESA-N 2 2 373.545 3.181 20 30 FGEDLP Cc1[nH+]c2ccccc2n1CCC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329246466 499083189 /nfs/dbraw/zinc/08/31/89/499083189.db2.gz AQQUKVYBFGOZLY-UHFFFAOYSA-N 2 2 370.497 3.336 20 30 FGEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000329417725 499118428 /nfs/dbraw/zinc/11/84/28/499118428.db2.gz GMXJXJSXYWOEPE-IBGZPJMESA-N 2 2 367.497 3.237 20 30 FGEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CCC(=O)Nc2sccc2C#N)[nH+]1 ZINC000369901871 499148300 /nfs/dbraw/zinc/14/83/00/499148300.db2.gz ZRWWPNVAOKJXHQ-INIZCTEOSA-N 2 2 369.494 3.228 20 30 FGEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CCC(=O)Nc2sccc2C#N)[nH+]1 ZINC000369901871 499148302 /nfs/dbraw/zinc/14/83/02/499148302.db2.gz ZRWWPNVAOKJXHQ-INIZCTEOSA-N 2 2 369.494 3.228 20 30 FGEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC#Cc1ccc(C(F)(F)F)cc1 ZINC000371302355 499307775 /nfs/dbraw/zinc/30/77/75/499307775.db2.gz YIFSQJJTJPSYIY-QRVBRYPASA-N 2 2 366.427 3.240 20 30 FGEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC#Cc1ccc(C(F)(F)F)cc1 ZINC000371302355 499307776 /nfs/dbraw/zinc/30/77/76/499307776.db2.gz YIFSQJJTJPSYIY-QRVBRYPASA-N 2 2 366.427 3.240 20 30 FGEDLP C=CCC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372422705 499432820 /nfs/dbraw/zinc/43/28/20/499432820.db2.gz RYDYHKFUXVNYTD-TZIWHRDSSA-N 2 2 355.526 3.021 20 30 FGEDLP C=CCC[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000372422705 499432822 /nfs/dbraw/zinc/43/28/22/499432822.db2.gz RYDYHKFUXVNYTD-TZIWHRDSSA-N 2 2 355.526 3.021 20 30 FGEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000375785279 499555693 /nfs/dbraw/zinc/55/56/93/499555693.db2.gz BCKJMWRBHFCVBO-ZWKOTPCHSA-N 2 2 371.529 3.375 20 30 FGEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000375785279 499555695 /nfs/dbraw/zinc/55/56/95/499555695.db2.gz BCKJMWRBHFCVBO-ZWKOTPCHSA-N 2 2 371.529 3.375 20 30 FGEDLP C[C@@H]([NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1 ZINC000423567768 500385410 /nfs/dbraw/zinc/38/54/10/500385410.db2.gz MGZGBMYHNNDUHZ-QGZVFWFLSA-N 3 2 366.484 3.341 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C(C)C ZINC000476026701 502361504 /nfs/dbraw/zinc/36/15/04/502361504.db2.gz CGOJLBNNDCGDJB-FXAWDEMLSA-N 2 2 372.557 3.453 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C(C)C ZINC000476026701 502361509 /nfs/dbraw/zinc/36/15/09/502361509.db2.gz CGOJLBNNDCGDJB-FXAWDEMLSA-N 2 2 372.557 3.453 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000469994043 502623088 /nfs/dbraw/zinc/62/30/88/502623088.db2.gz WTLIHCLYIFUBDE-DOMZBBRYSA-N 2 2 369.303 3.192 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OC ZINC000469994043 502623092 /nfs/dbraw/zinc/62/30/92/502623092.db2.gz WTLIHCLYIFUBDE-DOMZBBRYSA-N 2 2 369.303 3.192 20 30 FGEDLP C=CCN1CC[C@@H]([N@H+](C)CCCCCn2c(C)[nH+]c3ccccc32)C1=O ZINC000463206734 502718979 /nfs/dbraw/zinc/71/89/79/502718979.db2.gz SAWHLXXLCXXWEP-HXUWFJFHSA-N 2 2 354.498 3.234 20 30 FGEDLP C=CCN1CC[C@@H]([N@@H+](C)CCCCCn2c(C)[nH+]c3ccccc32)C1=O ZINC000463206734 502718984 /nfs/dbraw/zinc/71/89/84/502718984.db2.gz SAWHLXXLCXXWEP-HXUWFJFHSA-N 2 2 354.498 3.234 20 30 FGEDLP CO[C@@H](CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000463280744 502744298 /nfs/dbraw/zinc/74/42/98/502744298.db2.gz JKMJQCMSEDUBBZ-KRWDZBQOSA-N 2 2 355.404 3.080 20 30 FGEDLP C=CCCc1ccccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000505046763 502845170 /nfs/dbraw/zinc/84/51/70/502845170.db2.gz YSBBZIOFIICJFP-UHFFFAOYSA-N 2 2 358.530 3.295 20 30 FGEDLP C=CCCc1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000505046763 502845173 /nfs/dbraw/zinc/84/51/73/502845173.db2.gz YSBBZIOFIICJFP-UHFFFAOYSA-N 2 2 358.530 3.295 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378726 503397685 /nfs/dbraw/zinc/39/76/85/503397685.db2.gz UDHWGCBGOFDYKL-ROUUACIJSA-N 2 2 358.530 3.212 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503378726 503397688 /nfs/dbraw/zinc/39/76/88/503397688.db2.gz UDHWGCBGOFDYKL-ROUUACIJSA-N 2 2 358.530 3.212 20 30 FGEDLP C[NH+](C)Cc1cnc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000511996812 503431720 /nfs/dbraw/zinc/43/17/20/503431720.db2.gz LSIOQELIMXLHLV-UHFFFAOYSA-N 2 2 353.413 3.365 20 30 FGEDLP N#Cc1c(F)cccc1N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000543394111 503751931 /nfs/dbraw/zinc/75/19/31/503751931.db2.gz NPJVBIWLBYXYOB-UHFFFAOYSA-N 2 2 367.453 3.267 20 30 FGEDLP C[NH+](C)[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000552225517 505433271 /nfs/dbraw/zinc/43/32/71/505433271.db2.gz HXOGAIIRDRZMLM-QHCPKHFHSA-N 2 2 362.521 3.290 20 30 FGEDLP CCN(C)c1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cn1 ZINC000593692785 506734815 /nfs/dbraw/zinc/73/48/15/506734815.db2.gz KEZLHBPBOUBMEQ-UHFFFAOYSA-N 2 2 363.509 3.164 20 30 FGEDLP N#Cc1cccc(NC(=O)C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)c1 ZINC000595552152 507557380 /nfs/dbraw/zinc/55/73/80/507557380.db2.gz OLBZICIIYXQKKQ-UHFFFAOYSA-N 2 2 373.460 3.328 20 30 FGEDLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000611245241 507577729 /nfs/dbraw/zinc/57/77/29/507577729.db2.gz FTTPPRSMZMQMSS-QHCPKHFHSA-N 2 2 361.489 3.140 20 30 FGEDLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000611245241 507577735 /nfs/dbraw/zinc/57/77/35/507577735.db2.gz FTTPPRSMZMQMSS-QHCPKHFHSA-N 2 2 361.489 3.140 20 30 FGEDLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000611245241 507577740 /nfs/dbraw/zinc/57/77/40/507577740.db2.gz FTTPPRSMZMQMSS-QHCPKHFHSA-N 2 2 361.489 3.140 20 30 FGEDLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000611245241 507577744 /nfs/dbraw/zinc/57/77/44/507577744.db2.gz FTTPPRSMZMQMSS-QHCPKHFHSA-N 2 2 361.489 3.140 20 30 FGEDLP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]1SC ZINC000592377012 507626706 /nfs/dbraw/zinc/62/67/06/507626706.db2.gz MUTSGRTXHHEWBP-AQNXPRMDSA-N 2 2 359.539 3.021 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000180488829 705742679 /nfs/dbraw/zinc/74/26/79/705742679.db2.gz PZHBVGDQQHSGLL-SJLPKXTDSA-N 2 2 351.535 3.310 20 30 FGEDLP CC(C)[N@@H+]1CCc2nc(C[NH2+]Cc3ccc(OCC#N)cc3)sc2C1 ZINC000374601169 713933637 /nfs/dbraw/zinc/93/36/37/713933637.db2.gz FBDWMRGGASUBSH-UHFFFAOYSA-N 2 2 356.495 3.102 20 30 FGEDLP CC(C)[N@H+]1CCc2nc(C[NH2+]Cc3ccc(OCC#N)cc3)sc2C1 ZINC000374601169 713933639 /nfs/dbraw/zinc/93/36/39/713933639.db2.gz FBDWMRGGASUBSH-UHFFFAOYSA-N 2 2 356.495 3.102 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@@H+](CC)C2CCC2)c1=S ZINC000738052267 722528054 /nfs/dbraw/zinc/52/80/54/722528054.db2.gz GWSDEJNAYVCFCS-UHFFFAOYSA-N 2 2 363.575 3.460 20 30 FGEDLP C=CCn1c(CC[NH+]2CCCCC2)nn(C[N@H+](CC)C2CCC2)c1=S ZINC000738052267 722528055 /nfs/dbraw/zinc/52/80/55/722528055.db2.gz GWSDEJNAYVCFCS-UHFFFAOYSA-N 2 2 363.575 3.460 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000796292296 723630901 /nfs/dbraw/zinc/63/09/01/723630901.db2.gz XSZHLRQGLGYZIR-UHFFFAOYSA-N 2 2 351.535 3.310 20 30 FGEDLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OCCCC#N ZINC000092073585 494780493 /nfs/dbraw/zinc/78/04/93/494780493.db2.gz FHNCCDHVUPJAQA-QGZVFWFLSA-N 2 2 354.454 3.480 20 30 FGEDLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1OCCCC#N ZINC000092073585 494780499 /nfs/dbraw/zinc/78/04/99/494780499.db2.gz FHNCCDHVUPJAQA-QGZVFWFLSA-N 2 2 354.454 3.480 20 30 FGEDLP C=CCOc1ccccc1CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119430308 495165858 /nfs/dbraw/zinc/16/58/58/495165858.db2.gz GRTHHHMGTGGYAA-UHFFFAOYSA-N 2 2 358.405 3.387 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000106246361 495439648 /nfs/dbraw/zinc/43/96/48/495439648.db2.gz QRWWTKSGJREURM-UHFFFAOYSA-N 2 2 367.287 3.308 20 30 FGEDLP COc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1C#N ZINC000131091138 495490447 /nfs/dbraw/zinc/49/04/47/495490447.db2.gz WGUCGHPZSMGPEC-MRXNPFEDSA-N 2 2 350.466 3.277 20 30 FGEDLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)C[C@@H](C)O1 ZINC000160982762 496078758 /nfs/dbraw/zinc/07/87/58/496078758.db2.gz IDTQNELPJOWVEY-IAGOWNOFSA-N 2 2 359.489 3.409 20 30 FGEDLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccccn1)c1cccc(C(F)(F)F)c1 ZINC000183890888 496149341 /nfs/dbraw/zinc/14/93/41/496149341.db2.gz UYFBHUMYPGVSSK-CQSZACIVSA-N 2 2 351.376 3.130 20 30 FGEDLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccccn1)c1cccc(C(F)(F)F)c1 ZINC000183890869 496149623 /nfs/dbraw/zinc/14/96/23/496149623.db2.gz UYFBHUMYPGVSSK-AWEZNQCLSA-N 2 2 351.376 3.130 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157026499 496388284 /nfs/dbraw/zinc/38/82/84/496388284.db2.gz IVTYNHVWSDWYNQ-DWLFOUALSA-N 2 2 370.541 3.026 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157026499 496388289 /nfs/dbraw/zinc/38/82/89/496388289.db2.gz IVTYNHVWSDWYNQ-DWLFOUALSA-N 2 2 370.541 3.026 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157026499 496388293 /nfs/dbraw/zinc/38/82/93/496388293.db2.gz IVTYNHVWSDWYNQ-DWLFOUALSA-N 2 2 370.541 3.026 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157026499 496388297 /nfs/dbraw/zinc/38/82/97/496388297.db2.gz IVTYNHVWSDWYNQ-DWLFOUALSA-N 2 2 370.541 3.026 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157227518 496433037 /nfs/dbraw/zinc/43/30/37/496433037.db2.gz NTNPXWIGFZFGJP-KBNVZVJVSA-N 2 2 374.573 3.256 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157227518 496433040 /nfs/dbraw/zinc/43/30/40/496433040.db2.gz NTNPXWIGFZFGJP-KBNVZVJVSA-N 2 2 374.573 3.256 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3-n3cccn3)CC2)cc1 ZINC000181625329 496475553 /nfs/dbraw/zinc/47/55/53/496475553.db2.gz GUFZFYWWQLHQBY-UHFFFAOYSA-N 2 2 371.488 3.498 20 30 FGEDLP C[C@H]1C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC[N@@H+]1Cc1ccccc1 ZINC000175977769 496627728 /nfs/dbraw/zinc/62/77/28/496627728.db2.gz GQAZGKSXHYDPJD-PXNSSMCTSA-N 2 2 359.477 3.349 20 30 FGEDLP C[C@H]1C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC[N@H+]1Cc1ccccc1 ZINC000175977769 496627732 /nfs/dbraw/zinc/62/77/32/496627732.db2.gz GQAZGKSXHYDPJD-PXNSSMCTSA-N 2 2 359.477 3.349 20 30 FGEDLP COc1cc(C#N)ccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278858116 497244640 /nfs/dbraw/zinc/24/46/40/497244640.db2.gz KYMLKNWPMNCTKH-UHFFFAOYSA-N 2 2 350.466 3.479 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245449085 497413331 /nfs/dbraw/zinc/41/33/31/497413331.db2.gz NJKMHXZMIDAVKL-RHSMWYFYSA-N 2 2 362.905 3.345 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245449085 497413336 /nfs/dbraw/zinc/41/33/36/497413336.db2.gz NJKMHXZMIDAVKL-RHSMWYFYSA-N 2 2 362.905 3.345 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245449085 497413341 /nfs/dbraw/zinc/41/33/41/497413341.db2.gz NJKMHXZMIDAVKL-RHSMWYFYSA-N 2 2 362.905 3.345 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245449085 497413346 /nfs/dbraw/zinc/41/33/46/497413346.db2.gz NJKMHXZMIDAVKL-RHSMWYFYSA-N 2 2 362.905 3.345 20 30 FGEDLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000329853856 497928824 /nfs/dbraw/zinc/92/88/24/497928824.db2.gz VVKOWDFGWFBBOK-UHFFFAOYSA-N 2 2 364.352 3.199 20 30 FGEDLP Cc1cccc(NC2CC[NH+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)[nH+]1 ZINC000364593542 498039797 /nfs/dbraw/zinc/03/97/97/498039797.db2.gz AUTFKZJILQVXMM-MRXNPFEDSA-N 2 2 363.465 3.165 20 30 FGEDLP C[NH+](C)CCN(Cc1c[nH+]c2ccc(C#N)cn12)Cc1ccc(F)c(F)c1 ZINC000581516122 506005436 /nfs/dbraw/zinc/00/54/36/506005436.db2.gz XUWKEDOYRKQNAV-UHFFFAOYSA-N 2 2 369.419 3.048 20 30 FGEDLP C[C@@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000328974049 499004269 /nfs/dbraw/zinc/00/42/69/499004269.db2.gz VUKXXBAUXFCJNV-NZSAHSFTSA-N 2 2 352.482 3.455 20 30 FGEDLP C[C@@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@H+]1Cc1ccccc1 ZINC000328974049 499004272 /nfs/dbraw/zinc/00/42/72/499004272.db2.gz VUKXXBAUXFCJNV-NZSAHSFTSA-N 2 2 352.482 3.455 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc(F)cc3C#N)[C@H](C)C2)s1 ZINC000368965603 499351232 /nfs/dbraw/zinc/35/12/32/499351232.db2.gz LGFDUBXIZSPBNK-BFUOFWGJSA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc(F)cc3C#N)[C@H](C)C2)s1 ZINC000368965603 499351234 /nfs/dbraw/zinc/35/12/34/499351234.db2.gz LGFDUBXIZSPBNK-BFUOFWGJSA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc(F)cc3C#N)[C@@H](C)C2)s1 ZINC000368965605 499351253 /nfs/dbraw/zinc/35/12/53/499351253.db2.gz LGFDUBXIZSPBNK-ORAYPTAESA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc(F)cc3C#N)[C@@H](C)C2)s1 ZINC000368965605 499351255 /nfs/dbraw/zinc/35/12/55/499351255.db2.gz LGFDUBXIZSPBNK-ORAYPTAESA-N 2 2 358.486 3.463 20 30 FGEDLP COc1cccc2c(N3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc[nH+]c12 ZINC000436191090 501086532 /nfs/dbraw/zinc/08/65/32/501086532.db2.gz WRBMGWITIDZDAW-UHFFFAOYSA-N 2 2 358.445 3.437 20 30 FGEDLP Cc1nc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(Cl)cc1C#N ZINC000461964716 502254886 /nfs/dbraw/zinc/25/48/86/502254886.db2.gz KZHKWEAFNSIKCR-UHFFFAOYSA-N 2 2 361.921 3.277 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1)C(C)C ZINC000476029514 502363586 /nfs/dbraw/zinc/36/35/86/502363586.db2.gz FVSWDLAURQLOJV-HXUWFJFHSA-N 2 2 354.498 3.310 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNc1cc(C)[nH+]c(-c2cccnc2)n1)C(C)C ZINC000515582348 503368748 /nfs/dbraw/zinc/36/87/48/503368748.db2.gz AWGLMFUKTSZXOC-LJQANCHMSA-N 2 2 351.498 3.379 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512292605 503511104 /nfs/dbraw/zinc/51/11/04/503511104.db2.gz QHUZFCGRMXHNGN-NZQKXSOJSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512292605 503511111 /nfs/dbraw/zinc/51/11/11/503511111.db2.gz QHUZFCGRMXHNGN-NZQKXSOJSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512292605 503511115 /nfs/dbraw/zinc/51/11/15/503511115.db2.gz QHUZFCGRMXHNGN-NZQKXSOJSA-N 2 2 367.537 3.174 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512292605 503511121 /nfs/dbraw/zinc/51/11/21/503511121.db2.gz QHUZFCGRMXHNGN-NZQKXSOJSA-N 2 2 367.537 3.174 20 30 FGEDLP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(C#N)cc1F ZINC000512626789 503598105 /nfs/dbraw/zinc/59/81/05/503598105.db2.gz WLMLVCRPQSCPCG-MRXNPFEDSA-N 2 2 353.441 3.380 20 30 FGEDLP N#Cc1cccc(C2([NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)CC2)c1 ZINC000508976895 503611279 /nfs/dbraw/zinc/61/12/79/503611279.db2.gz KREUOAGLXNLXKL-UHFFFAOYSA-N 2 2 360.505 3.349 20 30 FGEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000565272699 504839081 /nfs/dbraw/zinc/83/90/81/504839081.db2.gz QKRQEIWARXOGMQ-UHFFFAOYSA-N 2 2 359.477 3.308 20 30 FGEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1C(F)(F)F ZINC000563791635 505239610 /nfs/dbraw/zinc/23/96/10/505239610.db2.gz ZHGCUWYIVOXEMW-BPQIPLTHSA-N 2 2 367.415 3.261 20 30 FGEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1C(F)(F)F ZINC000563791635 505239614 /nfs/dbraw/zinc/23/96/14/505239614.db2.gz ZHGCUWYIVOXEMW-BPQIPLTHSA-N 2 2 367.415 3.261 20 30 FGEDLP COC(=O)c1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1 ZINC000593703183 506739768 /nfs/dbraw/zinc/73/97/68/506739768.db2.gz PPNWQGKZHDJRIP-UHFFFAOYSA-N 2 2 363.461 3.099 20 30 FGEDLP COC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593702773 506739981 /nfs/dbraw/zinc/73/99/81/506739981.db2.gz NRIXMMMNXZVLET-QHCPKHFHSA-N 2 2 363.505 3.370 20 30 FGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1C ZINC000609333995 506856587 /nfs/dbraw/zinc/85/65/87/506856587.db2.gz KNZXKXTXELNVMS-LJQANCHMSA-N 2 2 365.481 3.084 20 30 FGEDLP Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1C ZINC000609333995 506856590 /nfs/dbraw/zinc/85/65/90/506856590.db2.gz KNZXKXTXELNVMS-LJQANCHMSA-N 2 2 365.481 3.084 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)C(C)C ZINC000605127946 507086252 /nfs/dbraw/zinc/08/62/52/507086252.db2.gz DHPWIRNMERWCOI-HXUWFJFHSA-N 2 2 352.482 3.301 20 30 FGEDLP Cc1[nH+]c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)ccc1CC#N ZINC001164857360 721007657 /nfs/dbraw/zinc/00/76/57/721007657.db2.gz DIOSYDNWVANYKT-INIZCTEOSA-N 2 2 352.486 3.074 20 30 FGEDLP Cc1[nH+]c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)ccc1CC#N ZINC001164857360 721007662 /nfs/dbraw/zinc/00/76/62/721007662.db2.gz DIOSYDNWVANYKT-INIZCTEOSA-N 2 2 352.486 3.074 20 30 FGEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164955306 722020646 /nfs/dbraw/zinc/02/06/46/722020646.db2.gz FFSJEUKDIQENGE-UHFFFAOYSA-N 2 2 372.476 3.322 20 30 FGEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)c12 ZINC001164955306 722020649 /nfs/dbraw/zinc/02/06/49/722020649.db2.gz FFSJEUKDIQENGE-UHFFFAOYSA-N 2 2 372.476 3.322 20 30 FGEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3cncc(Br)c3)cc2)CC1 ZINC000771557932 723737406 /nfs/dbraw/zinc/73/74/06/723737406.db2.gz SNWTWRWHYBRLEK-UHFFFAOYSA-N 2 2 374.286 3.042 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000892881597 740054676 /nfs/dbraw/zinc/05/46/76/740054676.db2.gz YZGWWWDUTNSJSQ-UHFFFAOYSA-N 2 2 366.303 3.148 20 30 FGEDLP C[N@H+](Cc1ccc(C#N)cc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081006012 493811549 /nfs/dbraw/zinc/81/15/49/493811549.db2.gz SOUSFAFXUPPXTD-UHFFFAOYSA-N 2 2 352.457 3.231 20 30 FGEDLP C[N@@H+](Cc1ccc(C#N)cc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081006012 493811552 /nfs/dbraw/zinc/81/15/52/493811552.db2.gz SOUSFAFXUPPXTD-UHFFFAOYSA-N 2 2 352.457 3.231 20 30 FGEDLP C=CCCC[N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000076735806 493962188 /nfs/dbraw/zinc/96/21/88/493962188.db2.gz SBXOZZMGKNPDQT-UHFFFAOYSA-N 2 2 350.532 3.212 20 30 FGEDLP C=CCCC[N@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000076735806 493962189 /nfs/dbraw/zinc/96/21/89/493962189.db2.gz SBXOZZMGKNPDQT-UHFFFAOYSA-N 2 2 350.532 3.212 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725272 494241605 /nfs/dbraw/zinc/24/16/05/494241605.db2.gz NJKMHXZMIDAVKL-PBHICJAKSA-N 2 2 362.905 3.345 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072725272 494241609 /nfs/dbraw/zinc/24/16/09/494241609.db2.gz NJKMHXZMIDAVKL-PBHICJAKSA-N 2 2 362.905 3.345 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072725272 494241612 /nfs/dbraw/zinc/24/16/12/494241612.db2.gz NJKMHXZMIDAVKL-PBHICJAKSA-N 2 2 362.905 3.345 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072725272 494241615 /nfs/dbraw/zinc/24/16/15/494241615.db2.gz NJKMHXZMIDAVKL-PBHICJAKSA-N 2 2 362.905 3.345 20 30 FGEDLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OCCCC#N ZINC000092073583 494779563 /nfs/dbraw/zinc/77/95/63/494779563.db2.gz FHNCCDHVUPJAQA-KRWDZBQOSA-N 2 2 354.454 3.480 20 30 FGEDLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1OCCCC#N ZINC000092073583 494779571 /nfs/dbraw/zinc/77/95/71/494779571.db2.gz FHNCCDHVUPJAQA-KRWDZBQOSA-N 2 2 354.454 3.480 20 30 FGEDLP COc1cc[nH+]c(N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)c1 ZINC000093079002 494822617 /nfs/dbraw/zinc/82/26/17/494822617.db2.gz YSVXSCNCTJPFAB-UHFFFAOYSA-N 2 2 366.465 3.095 20 30 FGEDLP CC(C)[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)[N@@H+]1CCc2ccccc2C1 ZINC000123222285 495098936 /nfs/dbraw/zinc/09/89/36/495098936.db2.gz JSZWOLWHMDBKOH-JOCHJYFZSA-N 2 2 373.504 3.378 20 30 FGEDLP CC(C)[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)[N@H+]1CCc2ccccc2C1 ZINC000123222285 495098939 /nfs/dbraw/zinc/09/89/39/495098939.db2.gz JSZWOLWHMDBKOH-JOCHJYFZSA-N 2 2 373.504 3.378 20 30 FGEDLP C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185695255 495683268 /nfs/dbraw/zinc/68/32/68/495683268.db2.gz XKRIJECOPRWVME-MAUKXSAKSA-N 2 2 365.481 3.351 20 30 FGEDLP C[C@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695255 495683271 /nfs/dbraw/zinc/68/32/71/495683271.db2.gz XKRIJECOPRWVME-MAUKXSAKSA-N 2 2 365.481 3.351 20 30 FGEDLP Cn1cc(C[NH2+]CC[N@H+](C)Cc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180111684 495863295 /nfs/dbraw/zinc/86/32/95/495863295.db2.gz YVQBCLGXWJERNP-UHFFFAOYSA-N 2 2 359.477 3.180 20 30 FGEDLP Cn1cc(C[NH2+]CC[N@@H+](C)Cc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000180111684 495863300 /nfs/dbraw/zinc/86/33/00/495863300.db2.gz YVQBCLGXWJERNP-UHFFFAOYSA-N 2 2 359.477 3.180 20 30 FGEDLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)C[C@H](C)O1 ZINC000160982487 496079004 /nfs/dbraw/zinc/07/90/04/496079004.db2.gz IDTQNELPJOWVEY-CALCHBBNSA-N 2 2 359.489 3.409 20 30 FGEDLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)C[C@H](C)O1 ZINC000160982487 496079008 /nfs/dbraw/zinc/07/90/08/496079008.db2.gz IDTQNELPJOWVEY-CALCHBBNSA-N 2 2 359.489 3.409 20 30 FGEDLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181699725 496509092 /nfs/dbraw/zinc/50/90/92/496509092.db2.gz RSAQJQUVVPBRDO-OAQYLSRUSA-N 3 2 354.542 3.233 20 30 FGEDLP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181699725 496509101 /nfs/dbraw/zinc/50/91/01/496509101.db2.gz RSAQJQUVVPBRDO-OAQYLSRUSA-N 3 2 354.542 3.233 20 30 FGEDLP CN(C(=O)c1cc(C#N)cs1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178875649 496601133 /nfs/dbraw/zinc/60/11/33/496601133.db2.gz ISRRPYKRIMQIRC-ROUUACIJSA-N 2 2 374.554 3.029 20 30 FGEDLP CN(C(=O)c1cc(C#N)cs1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178875649 496601139 /nfs/dbraw/zinc/60/11/39/496601139.db2.gz ISRRPYKRIMQIRC-ROUUACIJSA-N 2 2 374.554 3.029 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000265446575 497121855 /nfs/dbraw/zinc/12/18/55/497121855.db2.gz AVZDDYBCWRHICY-UHFFFAOYSA-N 2 2 365.481 3.153 20 30 FGEDLP C[N@H+](CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000278543737 497148601 /nfs/dbraw/zinc/14/86/01/497148601.db2.gz AJOKNMVTXLDXOS-UHFFFAOYSA-N 2 2 374.492 3.080 20 30 FGEDLP C[N@@H+](CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000278543737 497148603 /nfs/dbraw/zinc/14/86/03/497148603.db2.gz AJOKNMVTXLDXOS-UHFFFAOYSA-N 2 2 374.492 3.080 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266762919 497414398 /nfs/dbraw/zinc/41/43/98/497414398.db2.gz QPEIIRRAIHEFJV-OAHLLOKOSA-N 2 2 369.444 3.064 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266899966 497441817 /nfs/dbraw/zinc/44/18/17/497441817.db2.gz GDDOCKIBTLGJAV-TZMCWYRMSA-N 2 2 357.845 3.141 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266899966 497441825 /nfs/dbraw/zinc/44/18/25/497441825.db2.gz GDDOCKIBTLGJAV-TZMCWYRMSA-N 2 2 357.845 3.141 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CO)c3ccc(Cl)cc3)CC2)cc1 ZINC000271906098 497484573 /nfs/dbraw/zinc/48/45/73/497484573.db2.gz WRLCHEZUCYZATA-NRFANRHFSA-N 2 2 369.896 3.499 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277227296 497782346 /nfs/dbraw/zinc/78/23/46/497782346.db2.gz OKFPDQWREPKBFO-OALUTQOASA-N 2 2 356.514 3.046 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277227296 497782350 /nfs/dbraw/zinc/78/23/50/497782350.db2.gz OKFPDQWREPKBFO-OALUTQOASA-N 2 2 356.514 3.046 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246765946 497809188 /nfs/dbraw/zinc/80/91/88/497809188.db2.gz NXYCMJLHGZRNFC-BBWFWOEESA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246765946 497809189 /nfs/dbraw/zinc/80/91/89/497809189.db2.gz NXYCMJLHGZRNFC-BBWFWOEESA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246765946 497809190 /nfs/dbraw/zinc/80/91/90/497809190.db2.gz NXYCMJLHGZRNFC-BBWFWOEESA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246765946 497809191 /nfs/dbraw/zinc/80/91/91/497809191.db2.gz NXYCMJLHGZRNFC-BBWFWOEESA-N 2 2 374.554 3.434 20 30 FGEDLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329749702 497888597 /nfs/dbraw/zinc/88/85/97/497888597.db2.gz UMJZWHLTCAWQHK-AEFFLSMTSA-N 2 2 373.545 3.158 20 30 FGEDLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C([O-])=[NH+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000329749702 497888598 /nfs/dbraw/zinc/88/85/98/497888598.db2.gz UMJZWHLTCAWQHK-AEFFLSMTSA-N 2 2 373.545 3.158 20 30 FGEDLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329749702 497888601 /nfs/dbraw/zinc/88/86/01/497888601.db2.gz UMJZWHLTCAWQHK-AEFFLSMTSA-N 2 2 373.545 3.158 20 30 FGEDLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000329749702 497888602 /nfs/dbraw/zinc/88/86/02/497888602.db2.gz UMJZWHLTCAWQHK-AEFFLSMTSA-N 2 2 373.545 3.158 20 30 FGEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)CC1 ZINC000329834374 497919812 /nfs/dbraw/zinc/91/98/12/497919812.db2.gz UMRZEBJMHHZOJN-IBGZPJMESA-N 2 2 369.513 3.151 20 30 FGEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)CC1 ZINC000329834374 497919817 /nfs/dbraw/zinc/91/98/17/497919817.db2.gz UMRZEBJMHHZOJN-IBGZPJMESA-N 2 2 369.513 3.151 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nn(-c3ccccn3)c2Cl)CC1 ZINC000286704606 498482533 /nfs/dbraw/zinc/48/25/33/498482533.db2.gz WMPBFQMOLHZNTF-UHFFFAOYSA-N 2 2 359.905 3.359 20 30 FGEDLP Cc1cc(N2CC[NH+](CCCC3(C#N)CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000332059685 498547444 /nfs/dbraw/zinc/54/74/44/498547444.db2.gz PCIFRKQJEPWZKK-UHFFFAOYSA-N 2 2 371.529 3.131 20 30 FGEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000365619793 498561080 /nfs/dbraw/zinc/56/10/80/498561080.db2.gz BQSFQDMZMJOISU-OAHLLOKOSA-N 2 2 359.271 3.434 20 30 FGEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000365619793 498561085 /nfs/dbraw/zinc/56/10/85/498561085.db2.gz BQSFQDMZMJOISU-OAHLLOKOSA-N 2 2 359.271 3.434 20 30 FGEDLP C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCN(c2cccc[nH+]2)CC1 ZINC000365910996 498696690 /nfs/dbraw/zinc/69/66/90/498696690.db2.gz CCIMXTQKMCWJDL-UHFFFAOYSA-N 2 2 374.448 3.104 20 30 FGEDLP C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCN(c2cccc[nH+]2)CC1 ZINC000365910996 498696696 /nfs/dbraw/zinc/69/66/96/498696696.db2.gz CCIMXTQKMCWJDL-UHFFFAOYSA-N 2 2 374.448 3.104 20 30 FGEDLP Cc1cc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c[nH+]c1N1CCCC[C@@H]1C ZINC000329334806 499102064 /nfs/dbraw/zinc/10/20/64/499102064.db2.gz KWVYALCIZLZNOM-HKUYNNGSSA-N 2 2 369.513 3.260 20 30 FGEDLP Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000329334807 499102112 /nfs/dbraw/zinc/10/21/12/499102112.db2.gz KWVYALCIZLZNOM-IEBWSBKVSA-N 2 2 369.513 3.260 20 30 FGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@@H]1C ZINC000329438355 499121751 /nfs/dbraw/zinc/12/17/51/499121751.db2.gz APWWJQIWNZUPME-DLBZAZTESA-N 2 2 372.513 3.206 20 30 FGEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@@H]1C ZINC000329438355 499121754 /nfs/dbraw/zinc/12/17/54/499121754.db2.gz APWWJQIWNZUPME-DLBZAZTESA-N 2 2 372.513 3.206 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@@H]1C ZINC000329438355 499121756 /nfs/dbraw/zinc/12/17/56/499121756.db2.gz APWWJQIWNZUPME-DLBZAZTESA-N 2 2 372.513 3.206 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@@H]1C ZINC000329438355 499121758 /nfs/dbraw/zinc/12/17/58/499121758.db2.gz APWWJQIWNZUPME-DLBZAZTESA-N 2 2 372.513 3.206 20 30 FGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H](C)O1 ZINC000329473826 499126583 /nfs/dbraw/zinc/12/65/83/499126583.db2.gz ORDWOBMSDRHHHS-BBWFWOEESA-N 2 2 368.481 3.343 20 30 FGEDLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H](C)O1 ZINC000329473826 499126586 /nfs/dbraw/zinc/12/65/86/499126586.db2.gz ORDWOBMSDRHHHS-BBWFWOEESA-N 2 2 368.481 3.343 20 30 FGEDLP C#CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000371678590 499354288 /nfs/dbraw/zinc/35/42/88/499354288.db2.gz BYKGNEKQSFLTRS-JOCHJYFZSA-N 2 2 363.505 3.486 20 30 FGEDLP C#CCCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000371678590 499354290 /nfs/dbraw/zinc/35/42/90/499354290.db2.gz BYKGNEKQSFLTRS-JOCHJYFZSA-N 2 2 363.505 3.486 20 30 FGEDLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1Cl ZINC000433180893 500640625 /nfs/dbraw/zinc/64/06/25/500640625.db2.gz WGODIAGFHYOQLP-HNAYVOBHSA-N 2 2 369.896 3.281 20 30 FGEDLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(C#N)cc1Cl ZINC000433180893 500640628 /nfs/dbraw/zinc/64/06/28/500640628.db2.gz WGODIAGFHYOQLP-HNAYVOBHSA-N 2 2 369.896 3.281 20 30 FGEDLP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000435739949 501021292 /nfs/dbraw/zinc/02/12/92/501021292.db2.gz ZGOCDDYWSKSHJI-CZUORRHYSA-N 2 2 364.287 3.476 20 30 FGEDLP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(C#N)c3)CC2)cc1 ZINC000449521572 501024129 /nfs/dbraw/zinc/02/41/29/501024129.db2.gz IOLVQSZAJVFOPS-UHFFFAOYSA-N 2 2 362.477 3.271 20 30 FGEDLP CC(C)[NH+]1CCC([NH+]2CCN(CC#Cc3ccccc3Cl)CC2)CC1 ZINC000441260202 501110024 /nfs/dbraw/zinc/11/00/24/501110024.db2.gz GJBQNRJMIDDFFQ-UHFFFAOYSA-N 2 2 359.945 3.182 20 30 FGEDLP COc1cccc2c1C[C@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)C2 ZINC000459703605 501701290 /nfs/dbraw/zinc/70/12/90/501701290.db2.gz PBBTVQHJFGGADS-OAQYLSRUSA-N 2 2 361.489 3.288 20 30 FGEDLP C=CCOc1ccc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc1OC ZINC000467547180 501822335 /nfs/dbraw/zinc/82/23/35/501822335.db2.gz RGEWTUPNGTYZFB-UHFFFAOYSA-N 2 2 353.466 3.286 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464860722 502125702 /nfs/dbraw/zinc/12/57/02/502125702.db2.gz ZQTCEZGPQSBKAQ-CTNGQTDRSA-N 2 2 355.526 3.029 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464860722 502125707 /nfs/dbraw/zinc/12/57/07/502125707.db2.gz ZQTCEZGPQSBKAQ-CTNGQTDRSA-N 2 2 355.526 3.029 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464860722 502125711 /nfs/dbraw/zinc/12/57/11/502125711.db2.gz ZQTCEZGPQSBKAQ-CTNGQTDRSA-N 2 2 355.526 3.029 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464860722 502125713 /nfs/dbraw/zinc/12/57/13/502125713.db2.gz ZQTCEZGPQSBKAQ-CTNGQTDRSA-N 2 2 355.526 3.029 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475727640 502268494 /nfs/dbraw/zinc/26/84/94/502268494.db2.gz GRSLOBYFWGKTPC-QHCPKHFHSA-N 2 2 369.553 3.399 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475727640 502268498 /nfs/dbraw/zinc/26/84/98/502268498.db2.gz GRSLOBYFWGKTPC-QHCPKHFHSA-N 2 2 369.553 3.399 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475727640 502268503 /nfs/dbraw/zinc/26/85/03/502268503.db2.gz GRSLOBYFWGKTPC-QHCPKHFHSA-N 2 2 369.553 3.399 20 30 FGEDLP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475727640 502268505 /nfs/dbraw/zinc/26/85/05/502268505.db2.gz GRSLOBYFWGKTPC-QHCPKHFHSA-N 2 2 369.553 3.399 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C(C)C ZINC000476026704 502362276 /nfs/dbraw/zinc/36/22/76/502362276.db2.gz CGOJLBNNDCGDJB-YLJYHZDGSA-N 2 2 372.557 3.453 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1)C(C)C ZINC000476026704 502362280 /nfs/dbraw/zinc/36/22/80/502362280.db2.gz CGOJLBNNDCGDJB-YLJYHZDGSA-N 2 2 372.557 3.453 20 30 FGEDLP C=CCC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000540430187 503769734 /nfs/dbraw/zinc/76/97/34/503769734.db2.gz NDVOTINQKBGYEC-QGZVFWFLSA-N 2 2 369.431 3.076 20 30 FGEDLP C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603656 504195086 /nfs/dbraw/zinc/19/50/86/504195086.db2.gz RNIHLUSSMCCCCN-MAUKXSAKSA-N 2 2 365.481 3.351 20 30 FGEDLP C[C@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603656 504195090 /nfs/dbraw/zinc/19/50/90/504195090.db2.gz RNIHLUSSMCCCCN-MAUKXSAKSA-N 2 2 365.481 3.351 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000565743724 504974550 /nfs/dbraw/zinc/97/45/50/504974550.db2.gz NSLOLICOPLIRPO-LJQANCHMSA-N 2 2 366.534 3.012 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000565743724 504974552 /nfs/dbraw/zinc/97/45/52/504974552.db2.gz NSLOLICOPLIRPO-LJQANCHMSA-N 2 2 366.534 3.012 20 30 FGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2C#N)[C@H](C)C1 ZINC000553889693 505033646 /nfs/dbraw/zinc/03/36/46/505033646.db2.gz VQIHLFKSVYEQDY-CXAGYDPISA-N 2 2 350.304 3.483 20 30 FGEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2C#N)[C@H](C)C1 ZINC000553889693 505033649 /nfs/dbraw/zinc/03/36/49/505033649.db2.gz VQIHLFKSVYEQDY-CXAGYDPISA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2C#N)[C@H](C)C1 ZINC000553889693 505033653 /nfs/dbraw/zinc/03/36/53/505033653.db2.gz VQIHLFKSVYEQDY-CXAGYDPISA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2C#N)[C@H](C)C1 ZINC000553889693 505033658 /nfs/dbraw/zinc/03/36/58/505033658.db2.gz VQIHLFKSVYEQDY-CXAGYDPISA-N 2 2 350.304 3.483 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3nc4c(s3)CCC4)CC2)c1 ZINC000593693149 506734499 /nfs/dbraw/zinc/73/44/99/506734499.db2.gz QUCSMIRDFIMXHS-UHFFFAOYSA-N 2 2 352.507 3.258 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCN(c4ccccc4)C3)CC2)c1 ZINC000593693341 506734895 /nfs/dbraw/zinc/73/48/95/506734895.db2.gz VILPCZLHHRNHMI-QFIPXVFZSA-N 2 2 360.505 3.391 20 30 FGEDLP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]2CCCO[C@H]21 ZINC000593721425 506747272 /nfs/dbraw/zinc/74/72/72/506747272.db2.gz LRDZIMDTXPDSLF-PWRODBHTSA-N 2 2 353.510 3.316 20 30 FGEDLP C[NH+](C)CC1CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000609157032 506798276 /nfs/dbraw/zinc/79/82/76/506798276.db2.gz LGIKCORBCPAMQH-UHFFFAOYSA-N 2 2 374.554 3.101 20 30 FGEDLP N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000610572760 507296628 /nfs/dbraw/zinc/29/66/28/507296628.db2.gz LFXYTUJRORADGJ-MRXNPFEDSA-N 2 2 357.845 3.074 20 30 FGEDLP N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1Cl ZINC000610572760 507296635 /nfs/dbraw/zinc/29/66/35/507296635.db2.gz LFXYTUJRORADGJ-MRXNPFEDSA-N 2 2 357.845 3.074 20 30 FGEDLP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000595001005 507348898 /nfs/dbraw/zinc/34/88/98/507348898.db2.gz OSWJCLOQKUOGAS-FDDCHVKYSA-N 2 2 363.505 3.277 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc4nccnc4c3)CC2)c1 ZINC000602029401 507561369 /nfs/dbraw/zinc/56/13/69/507561369.db2.gz VYCBEZJNGFMFMQ-UHFFFAOYSA-N 2 2 357.461 3.256 20 30 FGEDLP C[C@@H](NC(=[NH2+])NCC[NH+]1CCSCC1)c1ccc(Cl)cc1Cl ZINC000262544343 713726962 /nfs/dbraw/zinc/72/69/62/713726962.db2.gz UMRXLXCILQBGOJ-LLVKDONJSA-N 2 2 361.342 3.008 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNc1cc(N2CCSCC2)[nH+]cn1)C(C)C ZINC000525641715 714364534 /nfs/dbraw/zinc/36/45/34/714364534.db2.gz WGYWUVCQWPEYPF-QGZVFWFLSA-N 2 2 361.559 3.140 20 30 FGEDLP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(CC#N)cc[nH+]3)C[C@H]21 ZINC001165028332 721818897 /nfs/dbraw/zinc/81/88/97/721818897.db2.gz XNWKRTZPHBIHLD-HMXCVIKNSA-N 2 2 361.493 3.280 20 30 FGEDLP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(CC#N)cc[nH+]3)C[C@H]21 ZINC001165028332 721818899 /nfs/dbraw/zinc/81/88/99/721818899.db2.gz XNWKRTZPHBIHLD-HMXCVIKNSA-N 2 2 361.493 3.280 20 30 FGEDLP C[C@]1(Br)C[C@H]1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000895186718 742384956 /nfs/dbraw/zinc/38/49/56/742384956.db2.gz ALDFNHPHYXVSFL-WMZOPIPTSA-N 2 2 362.315 3.286 20 30 FGEDLP C[C@@]1(C[N@@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC[NH2+]C1 ZINC000904427906 743954439 /nfs/dbraw/zinc/95/44/39/743954439.db2.gz AEFZLIQAUJPGHG-KXUCPTDWSA-N 2 2 366.296 3.089 20 30 FGEDLP C[C@@]1(C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC[NH2+]C1 ZINC000904427906 743954441 /nfs/dbraw/zinc/95/44/41/743954441.db2.gz AEFZLIQAUJPGHG-KXUCPTDWSA-N 2 2 366.296 3.089 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080958839 493800162 /nfs/dbraw/zinc/80/01/62/493800162.db2.gz FDNRFCZRABXMPC-GOSISDBHSA-N 2 2 365.481 3.153 20 30 FGEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000080958839 493800165 /nfs/dbraw/zinc/80/01/65/493800165.db2.gz FDNRFCZRABXMPC-GOSISDBHSA-N 2 2 365.481 3.153 20 30 FGEDLP C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000077445689 494085001 /nfs/dbraw/zinc/08/50/01/494085001.db2.gz LFFPAJABLRNIHX-UHFFFAOYSA-N 2 2 353.470 3.249 20 30 FGEDLP Cc1ccc2[nH+]c(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cn2c1 ZINC000054642845 494255791 /nfs/dbraw/zinc/25/57/91/494255791.db2.gz ISFRDTCUTNYIBL-UHFFFAOYSA-N 2 2 359.477 3.222 20 30 FGEDLP Cc1ccc2[nH+]c(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)cn2c1 ZINC000054642845 494255795 /nfs/dbraw/zinc/25/57/95/494255795.db2.gz ISFRDTCUTNYIBL-UHFFFAOYSA-N 2 2 359.477 3.222 20 30 FGEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC)c(OCCCC#N)c1 ZINC000091892921 494716999 /nfs/dbraw/zinc/71/69/99/494716999.db2.gz PIWHQGZSBKRPIY-MOPGFXCFSA-N 2 2 357.498 3.436 20 30 FGEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(OC)c(OCCCC#N)c1 ZINC000091892921 494717004 /nfs/dbraw/zinc/71/70/04/494717004.db2.gz PIWHQGZSBKRPIY-MOPGFXCFSA-N 2 2 357.498 3.436 20 30 FGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC)c(OCCCC#N)c1 ZINC000091892921 494717010 /nfs/dbraw/zinc/71/70/10/494717010.db2.gz PIWHQGZSBKRPIY-MOPGFXCFSA-N 2 2 357.498 3.436 20 30 FGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC)c(OCCCC#N)c1 ZINC000091892921 494717015 /nfs/dbraw/zinc/71/70/15/494717015.db2.gz PIWHQGZSBKRPIY-MOPGFXCFSA-N 2 2 357.498 3.436 20 30 FGEDLP COC1CC[NH+](C(C)(C)C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000571469318 505740599 /nfs/dbraw/zinc/74/05/99/505740599.db2.gz NJEDGAMUSRINKH-UHFFFAOYSA-N 2 2 370.541 3.006 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160069679 495877105 /nfs/dbraw/zinc/87/71/05/495877105.db2.gz SKYGZIBGUCUGFT-LJQANCHMSA-N 2 2 372.557 3.433 20 30 FGEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160069679 495877107 /nfs/dbraw/zinc/87/71/07/495877107.db2.gz SKYGZIBGUCUGFT-LJQANCHMSA-N 2 2 372.557 3.433 20 30 FGEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2Br)[C@H](C)C1 ZINC000181177592 496298550 /nfs/dbraw/zinc/29/85/50/496298550.db2.gz KQXCIIKUKKXQTI-DYVFJYSZSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2Br)[C@H](C)C1 ZINC000181177592 496298554 /nfs/dbraw/zinc/29/85/54/496298554.db2.gz KQXCIIKUKKXQTI-DYVFJYSZSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2Br)[C@H](C)C1 ZINC000181177592 496298540 /nfs/dbraw/zinc/29/85/40/496298540.db2.gz KQXCIIKUKKXQTI-DYVFJYSZSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2Br)[C@H](C)C1 ZINC000181177592 496298544 /nfs/dbraw/zinc/29/85/44/496298544.db2.gz KQXCIIKUKKXQTI-DYVFJYSZSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2Br)[C@H](C)C1 ZINC000181177610 496298609 /nfs/dbraw/zinc/29/86/09/496298609.db2.gz KQXCIIKUKKXQTI-CXAGYDPISA-N 2 2 350.304 3.483 20 30 FGEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2Br)[C@H](C)C1 ZINC000181177610 496298612 /nfs/dbraw/zinc/29/86/12/496298612.db2.gz KQXCIIKUKKXQTI-CXAGYDPISA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2Br)[C@H](C)C1 ZINC000181177610 496298615 /nfs/dbraw/zinc/29/86/15/496298615.db2.gz KQXCIIKUKKXQTI-CXAGYDPISA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2Br)[C@H](C)C1 ZINC000181177610 496298619 /nfs/dbraw/zinc/29/86/19/496298619.db2.gz KQXCIIKUKKXQTI-CXAGYDPISA-N 2 2 350.304 3.483 20 30 FGEDLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(C#N)cc1 ZINC000181582954 496456506 /nfs/dbraw/zinc/45/65/06/496456506.db2.gz MAKLHYAEFZTANC-GOSISDBHSA-N 2 2 365.477 3.120 20 30 FGEDLP CCc1cnc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000181833544 496565479 /nfs/dbraw/zinc/56/54/79/496565479.db2.gz UZEGXXSDPKNXGE-UHFFFAOYSA-N 2 2 354.523 3.374 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000280264914 497701586 /nfs/dbraw/zinc/70/15/86/497701586.db2.gz QENGFVZFHOZMIP-UHFFFAOYSA-N 2 2 373.460 3.492 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000572491295 505982035 /nfs/dbraw/zinc/98/20/35/505982035.db2.gz GNPABTJTKJEGTD-FQEVSTJZSA-N 2 2 355.526 3.077 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000572491295 505982038 /nfs/dbraw/zinc/98/20/38/505982038.db2.gz GNPABTJTKJEGTD-FQEVSTJZSA-N 2 2 355.526 3.077 20 30 FGEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)C1 ZINC000292983276 498222503 /nfs/dbraw/zinc/22/25/03/498222503.db2.gz NIGLYEYSOAINKK-HXUWFJFHSA-N 2 2 374.916 3.004 20 30 FGEDLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)C1 ZINC000292983276 498222504 /nfs/dbraw/zinc/22/25/04/498222504.db2.gz NIGLYEYSOAINKK-HXUWFJFHSA-N 2 2 374.916 3.004 20 30 FGEDLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)C1 ZINC000292983276 498222507 /nfs/dbraw/zinc/22/25/07/498222507.db2.gz NIGLYEYSOAINKK-HXUWFJFHSA-N 2 2 374.916 3.004 20 30 FGEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)C1 ZINC000292983276 498222512 /nfs/dbraw/zinc/22/25/12/498222512.db2.gz NIGLYEYSOAINKK-HXUWFJFHSA-N 2 2 374.916 3.004 20 30 FGEDLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1C#N ZINC000282438339 498512293 /nfs/dbraw/zinc/51/22/93/498512293.db2.gz FUEJTVSYPQQSDM-GOSISDBHSA-N 2 2 350.466 3.479 20 30 FGEDLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)ccc1C#N ZINC000282438339 498512297 /nfs/dbraw/zinc/51/22/97/498512297.db2.gz FUEJTVSYPQQSDM-GOSISDBHSA-N 2 2 350.466 3.479 20 30 FGEDLP C[N@H+](CCCOc1ccc(C#N)cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000365893837 498689213 /nfs/dbraw/zinc/68/92/13/498689213.db2.gz PTTACLZFFRSZEB-UHFFFAOYSA-N 2 2 350.466 3.323 20 30 FGEDLP C[N@@H+](CCCOc1ccc(C#N)cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000365893837 498689217 /nfs/dbraw/zinc/68/92/17/498689217.db2.gz PTTACLZFFRSZEB-UHFFFAOYSA-N 2 2 350.466 3.323 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCOc3cccc(C#N)c3)[C@H](C)C2)s1 ZINC000364045662 499097311 /nfs/dbraw/zinc/09/73/11/499097311.db2.gz VYSFRKCQPOKRKJ-QRWLVFNGSA-N 2 2 370.522 3.202 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCOc3cccc(C#N)c3)[C@H](C)C2)s1 ZINC000364045662 499097317 /nfs/dbraw/zinc/09/73/17/499097317.db2.gz VYSFRKCQPOKRKJ-QRWLVFNGSA-N 2 2 370.522 3.202 20 30 FGEDLP Cc1[nH+]c2n(c1CN1CC[NH+]([C@H](C)c3cccc(C#N)c3)CC1)CCCC2 ZINC000372622736 499154825 /nfs/dbraw/zinc/15/48/25/499154825.db2.gz WTCVGQNXZCABCU-GOSISDBHSA-N 2 2 363.509 3.278 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420388460 500453320 /nfs/dbraw/zinc/45/33/20/500453320.db2.gz HCJNPQQLQJDUFE-WMZOPIPTSA-N 2 2 359.539 3.367 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420388460 500453324 /nfs/dbraw/zinc/45/33/24/500453324.db2.gz HCJNPQQLQJDUFE-WMZOPIPTSA-N 2 2 359.539 3.367 20 30 FGEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459426514 501651986 /nfs/dbraw/zinc/65/19/86/501651986.db2.gz MVOUFEHUQADDNF-UHFFFAOYSA-N 2 2 352.394 3.213 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469740795 502527557 /nfs/dbraw/zinc/52/75/57/502527557.db2.gz ANTPLKONFRCBJJ-DYVFJYSZSA-N 2 2 370.840 3.087 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469740795 502527563 /nfs/dbraw/zinc/52/75/63/502527563.db2.gz ANTPLKONFRCBJJ-DYVFJYSZSA-N 2 2 370.840 3.087 20 30 FGEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(C#N)ccc2Br)C1 ZINC000492628753 503378124 /nfs/dbraw/zinc/37/81/24/503378124.db2.gz HRKZTAKUOXYEDD-INIZCTEOSA-N 2 2 362.315 3.484 20 30 FGEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(C#N)ccc2Br)C1 ZINC000492628753 503378128 /nfs/dbraw/zinc/37/81/28/503378128.db2.gz HRKZTAKUOXYEDD-INIZCTEOSA-N 2 2 362.315 3.484 20 30 FGEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492628753 503378129 /nfs/dbraw/zinc/37/81/29/503378129.db2.gz HRKZTAKUOXYEDD-INIZCTEOSA-N 2 2 362.315 3.484 20 30 FGEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000492628753 503378134 /nfs/dbraw/zinc/37/81/34/503378134.db2.gz HRKZTAKUOXYEDD-INIZCTEOSA-N 2 2 362.315 3.484 20 30 FGEDLP Cn1cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c(-c2ccc(C#N)cc2)n1 ZINC000508455503 503497183 /nfs/dbraw/zinc/49/71/83/503497183.db2.gz YQTJLMVIGGKWAI-UHFFFAOYSA-N 2 2 369.432 3.211 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000534473627 504151790 /nfs/dbraw/zinc/15/17/90/504151790.db2.gz GOOCAWMGGNDCJZ-IBGZPJMESA-N 2 2 373.460 3.320 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000534473627 504151798 /nfs/dbraw/zinc/15/17/98/504151798.db2.gz GOOCAWMGGNDCJZ-IBGZPJMESA-N 2 2 373.460 3.320 20 30 FGEDLP Cc1cc([C@@H]2CCC[NH+]2CC#CC[N@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000560157529 505005969 /nfs/dbraw/zinc/00/59/69/505005969.db2.gz XLKGESBXTLCUGL-ROUUACIJSA-N 2 2 354.454 3.257 20 30 FGEDLP Cc1cc([C@@H]2CCC[NH+]2CC#CC[N@@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000560157529 505005970 /nfs/dbraw/zinc/00/59/70/505005970.db2.gz XLKGESBXTLCUGL-ROUUACIJSA-N 2 2 354.454 3.257 20 30 FGEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1C(F)(F)F ZINC000563791643 505239441 /nfs/dbraw/zinc/23/94/41/505239441.db2.gz ZHGCUWYIVOXEMW-NXHRZFHOSA-N 2 2 367.415 3.261 20 30 FGEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1C(F)(F)F ZINC000563791643 505239444 /nfs/dbraw/zinc/23/94/44/505239444.db2.gz ZHGCUWYIVOXEMW-NXHRZFHOSA-N 2 2 367.415 3.261 20 30 FGEDLP C=CCOc1ccccc1C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000561491320 505359454 /nfs/dbraw/zinc/35/94/54/505359454.db2.gz YMWGLELBBMRYTA-LJQANCHMSA-N 2 2 365.477 3.369 20 30 FGEDLP CC(C)Cn1nccc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593691599 506733852 /nfs/dbraw/zinc/73/38/52/506733852.db2.gz FNVQIMJATFYDJC-UHFFFAOYSA-N 2 2 351.498 3.165 20 30 FGEDLP Cc1cccc2ncc(C[NH2+]C3CC[NH+](Cc4cccc(C#N)c4)CC3)n21 ZINC000593693150 506734391 /nfs/dbraw/zinc/73/43/91/506734391.db2.gz QUODSMGDJSBCOI-UHFFFAOYSA-N 2 2 359.477 3.269 20 30 FGEDLP CCOc1cccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593693016 506734608 /nfs/dbraw/zinc/73/46/08/506734608.db2.gz LYDIXAOCNCQHQU-UHFFFAOYSA-N 2 2 350.466 3.106 20 30 FGEDLP Cn1nc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c2ccccc21 ZINC000593693427 506734684 /nfs/dbraw/zinc/73/46/84/506734684.db2.gz YVTZLMWWRPVHEZ-UHFFFAOYSA-N 2 2 359.477 3.199 20 30 FGEDLP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000600209654 506847713 /nfs/dbraw/zinc/84/77/13/506847713.db2.gz XXJROXJYZQGFQE-UHFFFAOYSA-N 2 2 353.510 3.319 20 30 FGEDLP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1)c1cccc(C#N)c1 ZINC000601108868 507262825 /nfs/dbraw/zinc/26/28/25/507262825.db2.gz NSVPYZNCXZVMBB-GOSISDBHSA-N 2 2 365.477 3.120 20 30 FGEDLP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000595001007 507348105 /nfs/dbraw/zinc/34/81/05/507348105.db2.gz OSWJCLOQKUOGAS-MBSDFSHPSA-N 2 2 363.505 3.277 20 30 FGEDLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc(F)c3C#N)c2)CCO1 ZINC000602004387 507549890 /nfs/dbraw/zinc/54/98/90/507549890.db2.gz DIYOKAYRHOZWAQ-MRXNPFEDSA-N 2 2 353.441 3.208 20 30 FGEDLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(F)c3C#N)c2)CCO1 ZINC000602004387 507549897 /nfs/dbraw/zinc/54/98/97/507549897.db2.gz DIYOKAYRHOZWAQ-MRXNPFEDSA-N 2 2 353.441 3.208 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC000602020385 507556842 /nfs/dbraw/zinc/55/68/42/507556842.db2.gz KUBOZYMDQXOSKS-QFIPXVFZSA-N 3 2 362.521 3.072 20 30 FGEDLP C[C@@H]([NH2+]C1(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CCCC1)c1ccccc1 ZINC000592505249 507683836 /nfs/dbraw/zinc/68/38/36/507683836.db2.gz GPBHCTSANBNPJN-QGZVFWFLSA-N 2 2 374.492 3.354 20 30 FGEDLP C[NH+]=C(NCc1ccc(Cl)s1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000179225483 705693465 /nfs/dbraw/zinc/69/34/65/705693465.db2.gz IARIYKOFPPOGCD-GXTWGEPZSA-N 2 2 351.907 3.257 20 30 FGEDLP [NH2+]=C(NCC[N@@H+]1CCc2sccc2C1)Nc1cccc2c1CCCC2 ZINC000304649042 713791414 /nfs/dbraw/zinc/79/14/14/713791414.db2.gz GAUBJKQYLQUOSZ-UHFFFAOYSA-N 2 2 354.523 3.412 20 30 FGEDLP [NH2+]=C(NCC[N@H+]1CCc2sccc2C1)Nc1cccc2c1CCCC2 ZINC000304649042 713791415 /nfs/dbraw/zinc/79/14/15/713791415.db2.gz GAUBJKQYLQUOSZ-UHFFFAOYSA-N 2 2 354.523 3.412 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901156 718385095 /nfs/dbraw/zinc/38/50/95/718385095.db2.gz JPZGDHOHAUFMLI-LNLFQRSKSA-N 2 2 361.555 3.115 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901156 718385096 /nfs/dbraw/zinc/38/50/96/718385096.db2.gz JPZGDHOHAUFMLI-LNLFQRSKSA-N 2 2 361.555 3.115 20 30 FGEDLP C#CC[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000775973459 724091977 /nfs/dbraw/zinc/09/19/77/724091977.db2.gz SFEMTNLRDFANEU-KRWDZBQOSA-N 2 2 374.282 3.495 20 30 FGEDLP C#CC[N@H+](CCCn1cc[nH+]c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000775973459 724091980 /nfs/dbraw/zinc/09/19/80/724091980.db2.gz SFEMTNLRDFANEU-KRWDZBQOSA-N 2 2 374.282 3.495 20 30 FGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000815651972 727088955 /nfs/dbraw/zinc/08/89/55/727088955.db2.gz KQLQNXGHGTWEHY-ROUUACIJSA-N 2 2 365.315 3.214 20 30 FGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000815651972 727088959 /nfs/dbraw/zinc/08/89/59/727088959.db2.gz KQLQNXGHGTWEHY-ROUUACIJSA-N 2 2 365.315 3.214 20 30 FGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000815651973 727089131 /nfs/dbraw/zinc/08/91/31/727089131.db2.gz KQLQNXGHGTWEHY-ZWKOTPCHSA-N 2 2 365.315 3.214 20 30 FGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000815651973 727089136 /nfs/dbraw/zinc/08/91/36/727089136.db2.gz KQLQNXGHGTWEHY-ZWKOTPCHSA-N 2 2 365.315 3.214 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)CC2)c1 ZINC000846114053 730930088 /nfs/dbraw/zinc/93/00/88/730930088.db2.gz FJEAWWYVGXIZNW-HSALFYBXSA-N 2 2 373.591 3.492 20 30 FGEDLP CN(CCC#N)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000069710678 494000566 /nfs/dbraw/zinc/00/05/66/494000566.db2.gz WJKDXTKBQSTKTE-UHFFFAOYSA-N 2 2 363.509 3.186 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Br)c(O)c(OC)c2)CC1 ZINC000080199850 494635939 /nfs/dbraw/zinc/63/59/39/494635939.db2.gz JMAKIZODJNQSII-UHFFFAOYSA-N 2 2 369.303 3.293 20 30 FGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000093663898 494909948 /nfs/dbraw/zinc/90/99/48/494909948.db2.gz MAAUDUGHKHDEPF-QGZVFWFLSA-N 2 2 350.890 3.059 20 30 FGEDLP C=CCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000093663898 494909950 /nfs/dbraw/zinc/90/99/50/494909950.db2.gz MAAUDUGHKHDEPF-QGZVFWFLSA-N 2 2 350.890 3.059 20 30 FGEDLP Cc1cccn2c(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c[nH+]c12 ZINC000122825280 495036960 /nfs/dbraw/zinc/03/69/60/495036960.db2.gz JFZAIUDDWBOAOS-UHFFFAOYSA-N 2 2 359.477 3.222 20 30 FGEDLP Cc1cccn2c(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c[nH+]c12 ZINC000122825280 495036962 /nfs/dbraw/zinc/03/69/62/495036962.db2.gz JFZAIUDDWBOAOS-UHFFFAOYSA-N 2 2 359.477 3.222 20 30 FGEDLP CC[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160061755 495875885 /nfs/dbraw/zinc/87/58/85/495875885.db2.gz LRKGDOVMQOIKBU-HOTGVXAUSA-N 2 2 372.517 3.217 20 30 FGEDLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[NH+]1C ZINC000177056908 495904343 /nfs/dbraw/zinc/90/43/43/495904343.db2.gz FCGUGUVLXTWFBV-NVXWUHKLSA-N 2 2 362.905 3.001 20 30 FGEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[N@@H+]1C ZINC000177056908 495904334 /nfs/dbraw/zinc/90/43/34/495904334.db2.gz FCGUGUVLXTWFBV-NVXWUHKLSA-N 2 2 362.905 3.001 20 30 FGEDLP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[N@H+]1C ZINC000177056908 495904338 /nfs/dbraw/zinc/90/43/38/495904338.db2.gz FCGUGUVLXTWFBV-NVXWUHKLSA-N 2 2 362.905 3.001 20 30 FGEDLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[NH+]1C ZINC000177056908 495904348 /nfs/dbraw/zinc/90/43/48/495904348.db2.gz FCGUGUVLXTWFBV-NVXWUHKLSA-N 2 2 362.905 3.001 20 30 FGEDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000174965166 496185664 /nfs/dbraw/zinc/18/56/64/496185664.db2.gz FVYJAFRFCLQGOA-ZWKOTPCHSA-N 2 2 374.504 3.125 20 30 FGEDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000174965166 496185667 /nfs/dbraw/zinc/18/56/67/496185667.db2.gz FVYJAFRFCLQGOA-ZWKOTPCHSA-N 2 2 374.504 3.125 20 30 FGEDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000174965166 496185670 /nfs/dbraw/zinc/18/56/70/496185670.db2.gz FVYJAFRFCLQGOA-ZWKOTPCHSA-N 2 2 374.504 3.125 20 30 FGEDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000174965166 496185671 /nfs/dbraw/zinc/18/56/71/496185671.db2.gz FVYJAFRFCLQGOA-ZWKOTPCHSA-N 2 2 374.504 3.125 20 30 FGEDLP C[NH+](C)[C@H](CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181407018 496382581 /nfs/dbraw/zinc/38/25/81/496382581.db2.gz PSVUCBMFFQNZFF-HSZRJFAPSA-N 2 2 362.521 3.415 20 30 FGEDLP CN(C)[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000181407018 496382585 /nfs/dbraw/zinc/38/25/85/496382585.db2.gz PSVUCBMFFQNZFF-HSZRJFAPSA-N 2 2 362.521 3.415 20 30 FGEDLP CC(C)C[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181458737 496405322 /nfs/dbraw/zinc/40/53/22/496405322.db2.gz BWDWLGWKACXROY-UHFFFAOYSA-N 3 2 354.542 3.233 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOc3ncccc3Cl)CC2)cc1 ZINC000182016616 496637050 /nfs/dbraw/zinc/63/70/50/496637050.db2.gz XTZFPAREPGPJRS-UHFFFAOYSA-N 2 2 370.884 3.240 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000248453516 497016075 /nfs/dbraw/zinc/01/60/75/497016075.db2.gz QJXWFTGAEPYIAQ-NJDAHSKKSA-N 2 2 351.494 3.070 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000237591275 497260322 /nfs/dbraw/zinc/26/03/22/497260322.db2.gz SCWCCMUYYONOIK-QGZVFWFLSA-N 2 2 350.466 3.127 20 30 FGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000245543416 497447912 /nfs/dbraw/zinc/44/79/12/497447912.db2.gz KQXCIIKUKKXQTI-SUMWQHHRSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000245543416 497447917 /nfs/dbraw/zinc/44/79/17/497447917.db2.gz KQXCIIKUKKXQTI-SUMWQHHRSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000245543416 497447922 /nfs/dbraw/zinc/44/79/22/497447922.db2.gz KQXCIIKUKKXQTI-SUMWQHHRSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000245543416 497447927 /nfs/dbraw/zinc/44/79/27/497447927.db2.gz KQXCIIKUKKXQTI-SUMWQHHRSA-N 2 2 350.304 3.483 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cn4ccsc4n3)CC2)cc1 ZINC000271889075 497480638 /nfs/dbraw/zinc/48/06/38/497480638.db2.gz RLEBMLMPQPUEEN-UHFFFAOYSA-N 2 2 351.479 3.022 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245732164 497520174 /nfs/dbraw/zinc/52/01/74/497520174.db2.gz WDMSPOXRNJLUGX-QWFCFKBJSA-N 2 2 365.481 3.101 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245732164 497520178 /nfs/dbraw/zinc/52/01/78/497520178.db2.gz WDMSPOXRNJLUGX-QWFCFKBJSA-N 2 2 365.481 3.101 20 30 FGEDLP N#Cc1ccc(OC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)cc1 ZINC000267356914 497531992 /nfs/dbraw/zinc/53/19/92/497531992.db2.gz HKFMKOHKYTTXEO-UHFFFAOYSA-N 2 2 359.433 3.182 20 30 FGEDLP C[C@H]([NH2+]CC(=O)Nc1nc2c(s1)CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329673358 497864545 /nfs/dbraw/zinc/86/45/45/497864545.db2.gz NZXDUALLJFPTQY-UONOGXRCSA-N 2 2 362.543 3.462 20 30 FGEDLP C[C@H]([NH2+]CC(=O)Nc1nc2c(s1)CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329673358 497864551 /nfs/dbraw/zinc/86/45/51/497864551.db2.gz NZXDUALLJFPTQY-UONOGXRCSA-N 2 2 362.543 3.462 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(OC)c(OCC(F)F)c(OC)c2)CC1 ZINC000289852292 498323889 /nfs/dbraw/zinc/32/38/89/498323889.db2.gz VKFSRDKSHZBOJM-UHFFFAOYSA-N 2 2 370.440 3.088 20 30 FGEDLP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281961100 498334730 /nfs/dbraw/zinc/33/47/30/498334730.db2.gz GEDPFIYVVRPVGH-AZUAARDMSA-N 2 2 350.466 3.004 20 30 FGEDLP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281961100 498334733 /nfs/dbraw/zinc/33/47/33/498334733.db2.gz GEDPFIYVVRPVGH-AZUAARDMSA-N 2 2 350.466 3.004 20 30 FGEDLP Cc1cc[nH+]c(C)c1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000286960999 498569576 /nfs/dbraw/zinc/56/95/76/498569576.db2.gz ARQJUDHECUMOSQ-UHFFFAOYSA-N 2 2 363.465 3.310 20 30 FGEDLP Cc1cc[nH+]c(C)c1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000286960999 498569579 /nfs/dbraw/zinc/56/95/79/498569579.db2.gz ARQJUDHECUMOSQ-UHFFFAOYSA-N 2 2 363.465 3.310 20 30 FGEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1)CCC2 ZINC000328722665 498915362 /nfs/dbraw/zinc/91/53/62/498915362.db2.gz SACBTWPILYBXOV-KRWDZBQOSA-N 2 2 361.534 3.037 20 30 FGEDLP CC1(C)C[N@@H+](C2(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)CCCCC2)CCO1 ZINC000329008380 499013288 /nfs/dbraw/zinc/01/32/88/499013288.db2.gz YURPBVCWHXZDGO-KRWDZBQOSA-N 2 2 374.529 3.216 20 30 FGEDLP CC1(C)C[N@H+](C2(CNC(=O)[C@H]3CCn4c[nH+]cc4C3)CCCCC2)CCO1 ZINC000329008380 499013295 /nfs/dbraw/zinc/01/32/95/499013295.db2.gz YURPBVCWHXZDGO-KRWDZBQOSA-N 2 2 374.529 3.216 20 30 FGEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(C)nn(C)c2C)C1 ZINC000329182030 499065466 /nfs/dbraw/zinc/06/54/66/499065466.db2.gz OWASKONVTLMHNM-HZPDHXFCSA-N 2 2 358.490 3.109 20 30 FGEDLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)nn(C)c2C)C1 ZINC000329182030 499065470 /nfs/dbraw/zinc/06/54/70/499065470.db2.gz OWASKONVTLMHNM-HZPDHXFCSA-N 2 2 358.490 3.109 20 30 FGEDLP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H]1CCc3[nH+]c(C(C)(C)C)cn3C1)C2 ZINC000329524505 499129261 /nfs/dbraw/zinc/12/92/61/499129261.db2.gz QLKXQMVTSUNCJI-LSDHHAIUSA-N 2 2 355.486 3.219 20 30 FGEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000369257798 499384071 /nfs/dbraw/zinc/38/40/71/499384071.db2.gz JLYQKXPIRQZDKV-GOSISDBHSA-N 2 2 351.454 3.154 20 30 FGEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000369257798 499384073 /nfs/dbraw/zinc/38/40/73/499384073.db2.gz JLYQKXPIRQZDKV-GOSISDBHSA-N 2 2 351.454 3.154 20 30 FGEDLP C=CCC[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000426824532 500325258 /nfs/dbraw/zinc/32/52/58/500325258.db2.gz IHLPINPXYLHYTH-OAQYLSRUSA-N 2 2 357.542 3.221 20 30 FGEDLP C=CCC[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000426824532 500325260 /nfs/dbraw/zinc/32/52/60/500325260.db2.gz IHLPINPXYLHYTH-OAQYLSRUSA-N 2 2 357.542 3.221 20 30 FGEDLP C=CCn1cc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC000424290095 500481671 /nfs/dbraw/zinc/48/16/71/500481671.db2.gz BFEWFBMTSQZEFG-CEMLEFRQSA-N 2 2 365.525 3.245 20 30 FGEDLP C=CCn1cc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC000424290095 500481675 /nfs/dbraw/zinc/48/16/75/500481675.db2.gz BFEWFBMTSQZEFG-CEMLEFRQSA-N 2 2 365.525 3.245 20 30 FGEDLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000451027595 501240470 /nfs/dbraw/zinc/24/04/70/501240470.db2.gz NRFCBBAPIZCURX-INIZCTEOSA-N 2 2 356.857 3.326 20 30 FGEDLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000451027595 501240471 /nfs/dbraw/zinc/24/04/71/501240471.db2.gz NRFCBBAPIZCURX-INIZCTEOSA-N 2 2 356.857 3.326 20 30 FGEDLP C[N@H+](CCOCC(F)(F)C(F)F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452121185 501439451 /nfs/dbraw/zinc/43/94/51/501439451.db2.gz SJNIIZYFPUBEJG-UHFFFAOYSA-N 2 2 368.337 3.252 20 30 FGEDLP C[N@@H+](CCOCC(F)(F)C(F)F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452121185 501439452 /nfs/dbraw/zinc/43/94/52/501439452.db2.gz SJNIIZYFPUBEJG-UHFFFAOYSA-N 2 2 368.337 3.252 20 30 FGEDLP N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000459437044 501654257 /nfs/dbraw/zinc/65/42/57/501654257.db2.gz RHSPEGLRACFZRT-MRXNPFEDSA-N 2 2 365.437 3.379 20 30 FGEDLP N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000459437044 501654258 /nfs/dbraw/zinc/65/42/58/501654258.db2.gz RHSPEGLRACFZRT-MRXNPFEDSA-N 2 2 365.437 3.379 20 30 FGEDLP C=CCSc1ccccc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000485487536 501835331 /nfs/dbraw/zinc/83/53/31/501835331.db2.gz GOJMPPIIPVFBHY-QGZVFWFLSA-N 2 2 373.566 3.205 20 30 FGEDLP C=CCSc1ccccc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000485487536 501835332 /nfs/dbraw/zinc/83/53/32/501835332.db2.gz GOJMPPIIPVFBHY-QGZVFWFLSA-N 2 2 373.566 3.205 20 30 FGEDLP COC(=O)CC1CCC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000599055818 506298984 /nfs/dbraw/zinc/29/89/84/506298984.db2.gz SPTBCWJHWQNQIR-UHFFFAOYSA-N 2 2 369.509 3.234 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475735466 502270560 /nfs/dbraw/zinc/27/05/60/502270560.db2.gz SXDGLADGEAULTN-HSZRJFAPSA-N 2 2 367.537 3.175 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475735466 502270568 /nfs/dbraw/zinc/27/05/68/502270568.db2.gz SXDGLADGEAULTN-HSZRJFAPSA-N 2 2 367.537 3.175 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475735466 502270572 /nfs/dbraw/zinc/27/05/72/502270572.db2.gz SXDGLADGEAULTN-HSZRJFAPSA-N 2 2 367.537 3.175 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475735466 502270580 /nfs/dbraw/zinc/27/05/80/502270580.db2.gz SXDGLADGEAULTN-HSZRJFAPSA-N 2 2 367.537 3.175 20 30 FGEDLP N#CCCCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510930294 503219223 /nfs/dbraw/zinc/21/92/23/503219223.db2.gz IFWMMLRFBFORQM-UHFFFAOYSA-N 2 2 351.248 3.435 20 30 FGEDLP N#CCCCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510930294 503219226 /nfs/dbraw/zinc/21/92/26/503219226.db2.gz IFWMMLRFBFORQM-UHFFFAOYSA-N 2 2 351.248 3.435 20 30 FGEDLP CC(C)c1nnc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000492239915 503359922 /nfs/dbraw/zinc/35/99/22/503359922.db2.gz KJRDLPZWIOPCHZ-UHFFFAOYSA-N 2 2 369.538 3.330 20 30 FGEDLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(C#N)c1F ZINC000540346617 503745505 /nfs/dbraw/zinc/74/55/05/503745505.db2.gz NMDGUESHUNZVRK-UHFFFAOYSA-N 3 2 372.532 3.325 20 30 FGEDLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(C#N)c1F ZINC000540346617 503745511 /nfs/dbraw/zinc/74/55/11/503745511.db2.gz NMDGUESHUNZVRK-UHFFFAOYSA-N 3 2 372.532 3.325 20 30 FGEDLP Cn1ncc2ccc(C[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc21 ZINC000517549056 503768189 /nfs/dbraw/zinc/76/81/89/503768189.db2.gz XOTCKGSBEDHYCC-UHFFFAOYSA-N 2 2 359.477 3.199 20 30 FGEDLP C=CCc1cc(OCC)cc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1O ZINC000530104985 503838075 /nfs/dbraw/zinc/83/80/75/503838075.db2.gz MUEDPTGVXLPVSB-UHFFFAOYSA-N 2 2 374.525 3.206 20 30 FGEDLP C=CCOc1cccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c1 ZINC000532676025 504732807 /nfs/dbraw/zinc/73/28/07/504732807.db2.gz YJLLQEJPQFJHDS-UHFFFAOYSA-N 2 2 366.509 3.211 20 30 FGEDLP C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000565047085 504780505 /nfs/dbraw/zinc/78/05/05/504780505.db2.gz NKBYASNYJDUSDF-IBGZPJMESA-N 2 2 364.449 3.420 20 30 FGEDLP C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000565047085 504780509 /nfs/dbraw/zinc/78/05/09/504780509.db2.gz NKBYASNYJDUSDF-IBGZPJMESA-N 2 2 364.449 3.420 20 30 FGEDLP C[NH+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000565047085 504780512 /nfs/dbraw/zinc/78/05/12/504780512.db2.gz NKBYASNYJDUSDF-IBGZPJMESA-N 2 2 364.449 3.420 20 30 FGEDLP C[NH+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000565047085 504780517 /nfs/dbraw/zinc/78/05/17/504780517.db2.gz NKBYASNYJDUSDF-IBGZPJMESA-N 2 2 364.449 3.420 20 30 FGEDLP CCOC(=O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000589198029 506478755 /nfs/dbraw/zinc/47/87/55/506478755.db2.gz RNWYOCXYTCFJMQ-UHFFFAOYSA-N 2 2 367.449 3.082 20 30 FGEDLP COc1cc([C@H](C)[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)ccn1 ZINC000594506926 507161230 /nfs/dbraw/zinc/16/12/30/507161230.db2.gz HMFYORCYWYRIQH-INIZCTEOSA-N 2 2 350.466 3.277 20 30 FGEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595510509 507538491 /nfs/dbraw/zinc/53/84/91/507538491.db2.gz KXGPOQGDNJVLLH-UHFFFAOYSA-N 2 2 365.477 3.200 20 30 FGEDLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000586783705 507669679 /nfs/dbraw/zinc/66/96/79/507669679.db2.gz OYNOXSWDBDCTMU-UHFFFAOYSA-N 2 2 373.541 3.047 20 30 FGEDLP C=CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735418949 598248492 /nfs/dbraw/zinc/24/84/92/598248492.db2.gz MNHWJXYKOFLSJR-UHFFFAOYSA-N 2 2 371.448 3.241 20 30 FGEDLP C=CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735418949 598248493 /nfs/dbraw/zinc/24/84/93/598248493.db2.gz MNHWJXYKOFLSJR-UHFFFAOYSA-N 2 2 371.448 3.241 20 30 FGEDLP C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000090720237 700407232 /nfs/dbraw/zinc/40/72/32/700407232.db2.gz KULZJTQXRNTQKI-XJKSGUPXSA-N 2 2 351.288 3.033 20 30 FGEDLP C#CCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000090720237 700407234 /nfs/dbraw/zinc/40/72/34/700407234.db2.gz KULZJTQXRNTQKI-XJKSGUPXSA-N 2 2 351.288 3.033 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)CC2)c1 ZINC000846114051 730929999 /nfs/dbraw/zinc/92/99/99/730929999.db2.gz FJEAWWYVGXIZNW-AABGKKOBSA-N 2 2 373.591 3.492 20 30 FGEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000083188322 494005405 /nfs/dbraw/zinc/00/54/05/494005405.db2.gz IVOIXCGRGXIFDY-OAQYLSRUSA-N 2 2 369.509 3.360 20 30 FGEDLP C#CCOc1ccccc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645299 494694263 /nfs/dbraw/zinc/69/42/63/494694263.db2.gz RIHOSPNGRQGBFV-UHFFFAOYSA-N 2 2 363.505 3.233 20 30 FGEDLP C#CCOc1ccccc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645299 494694271 /nfs/dbraw/zinc/69/42/71/494694271.db2.gz RIHOSPNGRQGBFV-UHFFFAOYSA-N 2 2 363.505 3.233 20 30 FGEDLP C#CCOc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000092645281 494694343 /nfs/dbraw/zinc/69/43/43/494694343.db2.gz BBFKLDZFYZUYMX-UHFFFAOYSA-N 2 2 363.505 3.233 20 30 FGEDLP C#CCOc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000092645281 494694353 /nfs/dbraw/zinc/69/43/53/494694353.db2.gz BBFKLDZFYZUYMX-UHFFFAOYSA-N 2 2 363.505 3.233 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792516 494919320 /nfs/dbraw/zinc/91/93/20/494919320.db2.gz GYACDZFFDXOQMB-ZDUSSCGKSA-N 2 2 357.845 3.072 20 30 FGEDLP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+](Cc4ccsc4)CC3)n2c1 ZINC000123787692 495186436 /nfs/dbraw/zinc/18/64/36/495186436.db2.gz WJOYHVMYAAUKST-UHFFFAOYSA-N 2 2 351.479 3.022 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129742521 495288410 /nfs/dbraw/zinc/28/84/10/495288410.db2.gz CZAXIDLGIZUVQB-XPKGASNUSA-N 2 2 371.529 3.085 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129742521 495288414 /nfs/dbraw/zinc/28/84/14/495288414.db2.gz CZAXIDLGIZUVQB-XPKGASNUSA-N 2 2 371.529 3.085 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173604357 495609652 /nfs/dbraw/zinc/60/96/52/495609652.db2.gz WZXYDFLIKVIVRR-WOJBJXKFSA-N 2 2 368.525 3.130 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173604357 495609657 /nfs/dbraw/zinc/60/96/57/495609657.db2.gz WZXYDFLIKVIVRR-WOJBJXKFSA-N 2 2 368.525 3.130 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000181696522 496506039 /nfs/dbraw/zinc/50/60/39/496506039.db2.gz AZZFFJULORRFIM-UHFFFAOYSA-N 2 2 364.449 3.263 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@]4(CCSC4)C3)CC2)cc1 ZINC000182037451 496643983 /nfs/dbraw/zinc/64/39/83/496643983.db2.gz CNJODVOXOFXFQB-LEWJYISDSA-N 2 2 371.550 3.167 20 30 FGEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)ccc2Br)C1 ZINC000191803776 496894823 /nfs/dbraw/zinc/89/48/23/496894823.db2.gz NZDIUYJVKMFXKF-HNNXBMFYSA-N 2 2 350.304 3.484 20 30 FGEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)ccc2Br)C1 ZINC000191803776 496894826 /nfs/dbraw/zinc/89/48/26/496894826.db2.gz NZDIUYJVKMFXKF-HNNXBMFYSA-N 2 2 350.304 3.484 20 30 FGEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191803776 496894829 /nfs/dbraw/zinc/89/48/29/496894829.db2.gz NZDIUYJVKMFXKF-HNNXBMFYSA-N 2 2 350.304 3.484 20 30 FGEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191803776 496894831 /nfs/dbraw/zinc/89/48/31/496894831.db2.gz NZDIUYJVKMFXKF-HNNXBMFYSA-N 2 2 350.304 3.484 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+]C2CC([NH+](C)C)C2)cc1OC ZINC000572179159 505907709 /nfs/dbraw/zinc/90/77/09/505907709.db2.gz KGOYMMGUKGSWBW-UHFFFAOYSA-N 2 2 369.303 3.205 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245563652 497458658 /nfs/dbraw/zinc/45/86/58/497458658.db2.gz CZAXIDLGIZUVQB-DXWXDBEXSA-N 2 2 371.529 3.085 20 30 FGEDLP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245563652 497458660 /nfs/dbraw/zinc/45/86/60/497458660.db2.gz CZAXIDLGIZUVQB-DXWXDBEXSA-N 2 2 371.529 3.085 20 30 FGEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)c(F)c1 ZINC000271975769 497501043 /nfs/dbraw/zinc/50/10/43/497501043.db2.gz VMUXVZVULJTQSO-XUEUYAKLSA-N 2 2 367.468 3.231 20 30 FGEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)c(F)c1 ZINC000271975769 497501045 /nfs/dbraw/zinc/50/10/45/497501045.db2.gz VMUXVZVULJTQSO-XUEUYAKLSA-N 2 2 367.468 3.231 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246191017 497654413 /nfs/dbraw/zinc/65/44/13/497654413.db2.gz LYLRVPOSKGSWCB-ROUUACIJSA-N 2 2 361.555 3.069 20 30 FGEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246191017 497654417 /nfs/dbraw/zinc/65/44/17/497654417.db2.gz LYLRVPOSKGSWCB-ROUUACIJSA-N 2 2 361.555 3.069 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000246480569 497748244 /nfs/dbraw/zinc/74/82/44/497748244.db2.gz ADFDEEIIHUNZPP-BRWVUGGUSA-N 2 2 374.554 3.291 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000246480569 497748251 /nfs/dbraw/zinc/74/82/51/497748251.db2.gz ADFDEEIIHUNZPP-BRWVUGGUSA-N 2 2 374.554 3.291 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246480569 497748258 /nfs/dbraw/zinc/74/82/58/497748258.db2.gz ADFDEEIIHUNZPP-BRWVUGGUSA-N 2 2 374.554 3.291 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246480569 497748264 /nfs/dbraw/zinc/74/82/64/497748264.db2.gz ADFDEEIIHUNZPP-BRWVUGGUSA-N 2 2 374.554 3.291 20 30 FGEDLP C[C@@H]1C[C@@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000329772383 497896251 /nfs/dbraw/zinc/89/62/51/497896251.db2.gz KOLPVEMQAHHJTG-VQIMIIECSA-N 2 2 367.497 3.166 20 30 FGEDLP C[C@@H]1C[C@@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000329772383 497896258 /nfs/dbraw/zinc/89/62/58/497896258.db2.gz KOLPVEMQAHHJTG-VQIMIIECSA-N 2 2 367.497 3.166 20 30 FGEDLP C[C@@H]1C[C@@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[N@H+]1Cc1ccccc1 ZINC000329772383 497896264 /nfs/dbraw/zinc/89/62/64/497896264.db2.gz KOLPVEMQAHHJTG-VQIMIIECSA-N 2 2 367.497 3.166 20 30 FGEDLP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330280097 498090815 /nfs/dbraw/zinc/09/08/15/498090815.db2.gz RZLKUIJLTSBXNW-IEBWSBKVSA-N 2 2 370.522 3.020 20 30 FGEDLP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330280097 498090835 /nfs/dbraw/zinc/09/08/35/498090835.db2.gz RZLKUIJLTSBXNW-IEBWSBKVSA-N 2 2 370.522 3.020 20 30 FGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000330288905 498095013 /nfs/dbraw/zinc/09/50/13/498095013.db2.gz DJWXMXYHSPARSH-ROUUACIJSA-N 2 2 361.534 3.322 20 30 FGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000330288905 498095018 /nfs/dbraw/zinc/09/50/18/498095018.db2.gz DJWXMXYHSPARSH-ROUUACIJSA-N 2 2 361.534 3.322 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H](CO)c4ccccc43)CC2)cc1 ZINC000364955038 498225863 /nfs/dbraw/zinc/22/58/63/498225863.db2.gz PGKREMHFDLURFD-AUSIDOKSSA-N 2 2 361.489 3.333 20 30 FGEDLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328659039 498893381 /nfs/dbraw/zinc/89/33/81/498893381.db2.gz SAVGSDHINMIGSI-INIZCTEOSA-N 2 2 370.501 3.037 20 30 FGEDLP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000328659039 498893384 /nfs/dbraw/zinc/89/33/84/498893384.db2.gz SAVGSDHINMIGSI-INIZCTEOSA-N 2 2 370.501 3.037 20 30 FGEDLP COc1cc(C)[nH+]c(CN2CC[NH+](CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)c1 ZINC000328867758 498967653 /nfs/dbraw/zinc/96/76/53/498967653.db2.gz OKZHCKRFOCAHFD-SJLPKXTDSA-N 2 2 374.529 3.051 20 30 FGEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)CCC2 ZINC000328878931 498971701 /nfs/dbraw/zinc/97/17/01/498971701.db2.gz JLYIFGSTWZEUCK-OTWHNJEPSA-N 2 2 367.497 3.018 20 30 FGEDLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)CCC2 ZINC000328878931 498971703 /nfs/dbraw/zinc/97/17/03/498971703.db2.gz JLYIFGSTWZEUCK-OTWHNJEPSA-N 2 2 367.497 3.018 20 30 FGEDLP Cc1ccn2cc(CNC(=O)N3CCC[C@H]3C[NH+]3CCCCC3)[nH+]c2c1 ZINC000329119266 499047792 /nfs/dbraw/zinc/04/77/92/499047792.db2.gz OZVBNZXKTWSKQN-SFHVURJKSA-N 2 2 355.486 3.007 20 30 FGEDLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000329396623 499114915 /nfs/dbraw/zinc/11/49/15/499114915.db2.gz XOMSONBFCLUUGZ-AEFFLSMTSA-N 2 2 374.529 3.170 20 30 FGEDLP O=C(Nc1ccn2cc[nH+]c2c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000329493468 499127895 /nfs/dbraw/zinc/12/78/95/499127895.db2.gz DXOKQBFHBPAXQB-QGZVFWFLSA-N 2 2 355.486 3.468 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCOc3ccc(C#N)cc3)[C@@H](C)C2)s1 ZINC000372732738 499167623 /nfs/dbraw/zinc/16/76/23/499167623.db2.gz RHCXQADNBHJAJT-YWZLYKJASA-N 2 2 370.522 3.202 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCOc3ccc(C#N)cc3)[C@@H](C)C2)s1 ZINC000372732738 499167626 /nfs/dbraw/zinc/16/76/26/499167626.db2.gz RHCXQADNBHJAJT-YWZLYKJASA-N 2 2 370.522 3.202 20 30 FGEDLP C=CCC(CC=C)C(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000370164861 499190797 /nfs/dbraw/zinc/19/07/97/499190797.db2.gz UNOAIMAMWXOVQZ-GOSISDBHSA-N 2 2 356.514 3.142 20 30 FGEDLP N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]Cc2ccccc2Cn2cc[nH+]c2)O1 ZINC000378455417 499519071 /nfs/dbraw/zinc/51/90/71/499519071.db2.gz MWRYGNRNLXRCSA-MXEMCNAFSA-N 2 2 350.466 3.261 20 30 FGEDLP C[NH+]1CCC([N@H+](Cc2cnc3ccc(C#N)cn23)Cc2ccccc2)CC1 ZINC000377889940 499745647 /nfs/dbraw/zinc/74/56/47/499745647.db2.gz RCFVIZVPEDOCKE-UHFFFAOYSA-N 2 2 359.477 3.302 20 30 FGEDLP C[NH+]1CCC([N@@H+](Cc2cnc3ccc(C#N)cn23)Cc2ccccc2)CC1 ZINC000377889940 499745648 /nfs/dbraw/zinc/74/56/48/499745648.db2.gz RCFVIZVPEDOCKE-UHFFFAOYSA-N 2 2 359.477 3.302 20 30 FGEDLP COc1cc(C[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)ccc1C#N ZINC000377921493 499748407 /nfs/dbraw/zinc/74/84/07/499748407.db2.gz OAWMMOJBFZVZND-UHFFFAOYSA-N 2 2 364.493 3.101 20 30 FGEDLP COc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)ccc1C#N ZINC000377921493 499748409 /nfs/dbraw/zinc/74/84/09/499748409.db2.gz OAWMMOJBFZVZND-UHFFFAOYSA-N 2 2 364.493 3.101 20 30 FGEDLP COCC[N@H+](C)CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000421329271 500018163 /nfs/dbraw/zinc/01/81/63/500018163.db2.gz VBEFSLLCLWXMNE-NRFANRHFSA-N 2 2 355.457 3.497 20 30 FGEDLP COCC[N@@H+](C)CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000421329271 500018165 /nfs/dbraw/zinc/01/81/65/500018165.db2.gz VBEFSLLCLWXMNE-NRFANRHFSA-N 2 2 355.457 3.497 20 30 FGEDLP Cc1cc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000425225487 500049491 /nfs/dbraw/zinc/04/94/91/500049491.db2.gz GHXNVEXDZNTQEN-UHFFFAOYSA-N 2 2 364.493 3.167 20 30 FGEDLP C[N@H+](CC#Cc1cccc(Cl)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425943524 500214987 /nfs/dbraw/zinc/21/49/87/500214987.db2.gz RHOZPHVOUHNBAR-JOCHJYFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425943524 500214988 /nfs/dbraw/zinc/21/49/88/500214988.db2.gz RHOZPHVOUHNBAR-JOCHJYFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C[NH+](CC#Cc1cccc(Cl)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425943524 500214991 /nfs/dbraw/zinc/21/49/91/500214991.db2.gz RHOZPHVOUHNBAR-JOCHJYFZSA-N 2 2 368.908 3.260 20 30 FGEDLP C[NH+](CC#Cc1cccc(Cl)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425943524 500214994 /nfs/dbraw/zinc/21/49/94/500214994.db2.gz RHOZPHVOUHNBAR-JOCHJYFZSA-N 2 2 368.908 3.260 20 30 FGEDLP COc1ccc(C[N@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)cc1C#N ZINC000449785576 501087082 /nfs/dbraw/zinc/08/70/82/501087082.db2.gz HMKNFQGQQGKPKW-UHFFFAOYSA-N 2 2 355.404 3.415 20 30 FGEDLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCC(F)(F)F)CC2)cc1C#N ZINC000449785576 501087085 /nfs/dbraw/zinc/08/70/85/501087085.db2.gz HMKNFQGQQGKPKW-UHFFFAOYSA-N 2 2 355.404 3.415 20 30 FGEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H]1C ZINC000484929879 502779782 /nfs/dbraw/zinc/77/97/82/502779782.db2.gz YOXPURZMSDFCAA-QUCCMNQESA-N 2 2 370.541 3.355 20 30 FGEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H]1C ZINC000484929879 502779785 /nfs/dbraw/zinc/77/97/85/502779785.db2.gz YOXPURZMSDFCAA-QUCCMNQESA-N 2 2 370.541 3.355 20 30 FGEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H]1C ZINC000484929879 502779789 /nfs/dbraw/zinc/77/97/89/502779789.db2.gz YOXPURZMSDFCAA-QUCCMNQESA-N 2 2 370.541 3.355 20 30 FGEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H]1C ZINC000484929879 502779793 /nfs/dbraw/zinc/77/97/93/502779793.db2.gz YOXPURZMSDFCAA-QUCCMNQESA-N 2 2 370.541 3.355 20 30 FGEDLP C=CCOc1ccccc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000512676265 503609764 /nfs/dbraw/zinc/60/97/64/503609764.db2.gz ADFXQOJJXZIERP-BGYRXZFFSA-N 2 2 357.542 3.242 20 30 FGEDLP C=CCOc1ccccc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000512676265 503609767 /nfs/dbraw/zinc/60/97/67/503609767.db2.gz ADFXQOJJXZIERP-BGYRXZFFSA-N 2 2 357.542 3.242 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOc3ccc(F)cc3)CC2)cc1 ZINC000537293420 503871697 /nfs/dbraw/zinc/87/16/97/503871697.db2.gz RNCXNSUKTGFMDJ-UHFFFAOYSA-N 2 2 353.441 3.330 20 30 FGEDLP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000519681525 504300919 /nfs/dbraw/zinc/30/09/19/504300919.db2.gz ACNXOKQOBYSANS-NRFANRHFSA-N 2 2 355.457 3.012 20 30 FGEDLP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000519681525 504300925 /nfs/dbraw/zinc/30/09/25/504300925.db2.gz ACNXOKQOBYSANS-NRFANRHFSA-N 2 2 355.457 3.012 20 30 FGEDLP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000519681525 504300928 /nfs/dbraw/zinc/30/09/28/504300928.db2.gz ACNXOKQOBYSANS-NRFANRHFSA-N 2 2 355.457 3.012 20 30 FGEDLP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000519681525 504300935 /nfs/dbraw/zinc/30/09/35/504300935.db2.gz ACNXOKQOBYSANS-NRFANRHFSA-N 2 2 355.457 3.012 20 30 FGEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582729181 506386685 /nfs/dbraw/zinc/38/66/85/506386685.db2.gz CKLXUPTWLBDONE-JXFKEZNVSA-N 2 2 364.449 3.467 20 30 FGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000582729181 506386691 /nfs/dbraw/zinc/38/66/91/506386691.db2.gz CKLXUPTWLBDONE-JXFKEZNVSA-N 2 2 364.449 3.467 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000593323032 506540610 /nfs/dbraw/zinc/54/06/10/506540610.db2.gz ONDGLCRJQPBIQS-RJGXRXQPSA-N 3 2 366.553 3.423 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cnn(-c4ccccc4)c3)CC2)c1 ZINC000593686949 506731609 /nfs/dbraw/zinc/73/16/09/506731609.db2.gz BBUCQNACEVZVHQ-UHFFFAOYSA-N 2 2 371.488 3.498 20 30 FGEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c(OC)c1 ZINC000593688403 506732351 /nfs/dbraw/zinc/73/23/51/506732351.db2.gz QUHSFWDRLUMFNM-UHFFFAOYSA-N 2 2 365.477 3.330 20 30 FGEDLP CCc1nn(C)c(CC)c1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693442 506734048 /nfs/dbraw/zinc/73/40/48/506734048.db2.gz ZPAKKDHKXFJDNR-UHFFFAOYSA-N 2 2 365.525 3.171 20 30 FGEDLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593720052 506747206 /nfs/dbraw/zinc/74/72/06/506747206.db2.gz FMOSKYXEEYMTOY-INIZCTEOSA-N 2 2 357.498 3.233 20 30 FGEDLP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1OCCCC#N ZINC000594518488 507167036 /nfs/dbraw/zinc/16/70/36/507167036.db2.gz GUMVWTYCHVWJOY-RTBURBONSA-N 2 2 357.498 3.484 20 30 FGEDLP COc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1OCCCC#N ZINC000594518488 507167041 /nfs/dbraw/zinc/16/70/41/507167041.db2.gz GUMVWTYCHVWJOY-RTBURBONSA-N 2 2 357.498 3.484 20 30 FGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CC2 ZINC000584261615 507241934 /nfs/dbraw/zinc/24/19/34/507241934.db2.gz NCFAATZJAUTIOD-JTHBVZDNSA-N 2 2 361.489 3.426 20 30 FGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000584261615 507241941 /nfs/dbraw/zinc/24/19/41/507241941.db2.gz NCFAATZJAUTIOD-JTHBVZDNSA-N 2 2 361.489 3.426 20 30 FGEDLP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000595044559 507366426 /nfs/dbraw/zinc/36/64/26/507366426.db2.gz BUHXPXHSAQKTPT-KRWDZBQOSA-N 2 2 371.525 3.480 20 30 FGEDLP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000330277785 568088627 /nfs/dbraw/zinc/08/86/27/568088627.db2.gz OUAFHJOHQCUQPH-ZWKOTPCHSA-N 2 2 370.522 3.020 20 30 FGEDLP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000330277785 568088628 /nfs/dbraw/zinc/08/86/28/568088628.db2.gz OUAFHJOHQCUQPH-ZWKOTPCHSA-N 2 2 370.522 3.020 20 30 FGEDLP COc1cc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1O ZINC000181966243 568291325 /nfs/dbraw/zinc/29/13/25/568291325.db2.gz XPDIVOAHEZWEDG-UHFFFAOYSA-N 2 2 365.477 3.069 20 30 FGEDLP C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000090720239 700407338 /nfs/dbraw/zinc/40/73/38/700407338.db2.gz KULZJTQXRNTQKI-CJNGLKHVSA-N 2 2 351.288 3.033 20 30 FGEDLP C#CCOc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090720239 700407341 /nfs/dbraw/zinc/40/73/41/700407341.db2.gz KULZJTQXRNTQKI-CJNGLKHVSA-N 2 2 351.288 3.033 20 30 FGEDLP C=C(C)CNC(=[NH2+])NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000303876458 713789619 /nfs/dbraw/zinc/78/96/19/713789619.db2.gz FAYYUOGVUWMIFQ-SFHVURJKSA-N 2 2 354.523 3.328 20 30 FGEDLP C=C(C)CNC(=[NH2+])NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000303876458 713789624 /nfs/dbraw/zinc/78/96/24/713789624.db2.gz FAYYUOGVUWMIFQ-SFHVURJKSA-N 2 2 354.523 3.328 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000765833535 723543481 /nfs/dbraw/zinc/54/34/81/723543481.db2.gz MHSUVLJMOUFWIM-MRXNPFEDSA-N 2 2 363.933 3.478 20 30 FGEDLP CCCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771772465 723742093 /nfs/dbraw/zinc/74/20/93/723742093.db2.gz QMIAEKMPSRXEKK-LJQANCHMSA-N 2 2 352.567 3.157 20 30 FGEDLP CCCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771772465 723742095 /nfs/dbraw/zinc/74/20/95/723742095.db2.gz QMIAEKMPSRXEKK-LJQANCHMSA-N 2 2 352.567 3.157 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000834571421 729815360 /nfs/dbraw/zinc/81/53/60/729815360.db2.gz SVVUXKCRZGCZGP-ROUUACIJSA-N 2 2 351.535 3.405 20 30 FGEDLP N#Cc1ccccc1N1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101544809 495074108 /nfs/dbraw/zinc/07/41/08/495074108.db2.gz SRADFDHRDUCFLW-UHFFFAOYSA-N 2 2 357.461 3.456 20 30 FGEDLP N#Cc1ccccc1N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101544809 495074110 /nfs/dbraw/zinc/07/41/10/495074110.db2.gz SRADFDHRDUCFLW-UHFFFAOYSA-N 2 2 357.461 3.456 20 30 FGEDLP C[NH+](Cc1cccc(C#N)c1)CC1(C[N@H+](C)Cc2cccc(C#N)c2)COC1 ZINC000119307702 495138294 /nfs/dbraw/zinc/13/82/94/495138294.db2.gz SWBGSGPZFBWGTG-UHFFFAOYSA-N 2 2 374.488 3.010 20 30 FGEDLP C[NH+](Cc1cccc(C#N)c1)CC1(C[N@@H+](C)Cc2cccc(C#N)c2)COC1 ZINC000119307702 495138297 /nfs/dbraw/zinc/13/82/97/495138297.db2.gz SWBGSGPZFBWGTG-UHFFFAOYSA-N 2 2 374.488 3.010 20 30 FGEDLP C=CCn1c(C)cc(C(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1C ZINC000174240756 495877846 /nfs/dbraw/zinc/87/78/46/495877846.db2.gz BVYNOLBJSDUWHC-UHFFFAOYSA-N 2 2 373.541 3.050 20 30 FGEDLP N#Cc1ccccc1CSCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000177821347 496210523 /nfs/dbraw/zinc/21/05/23/496210523.db2.gz OGYNVDGXCHESOD-UHFFFAOYSA-N 2 2 366.534 3.441 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCN3CCc4ccccc4C3)CC2)cc1 ZINC000181434446 496393116 /nfs/dbraw/zinc/39/31/16/496393116.db2.gz PHBMVALDJBKVTF-UHFFFAOYSA-N 2 2 374.532 3.171 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247099533 496778718 /nfs/dbraw/zinc/77/87/18/496778718.db2.gz OGROPHRRHYSAGQ-CRAIPNDOSA-N 2 2 374.916 3.489 20 30 FGEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247099533 496778724 /nfs/dbraw/zinc/77/87/24/496778724.db2.gz OGROPHRRHYSAGQ-CRAIPNDOSA-N 2 2 374.916 3.489 20 30 FGEDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000245569335 497460893 /nfs/dbraw/zinc/46/08/93/497460893.db2.gz WCGANNXXQDMZPO-MJGOQNOKSA-N 2 2 351.498 3.292 20 30 FGEDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000245569335 497460896 /nfs/dbraw/zinc/46/08/96/497460896.db2.gz WCGANNXXQDMZPO-MJGOQNOKSA-N 2 2 351.498 3.292 20 30 FGEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000245569335 497460900 /nfs/dbraw/zinc/46/09/00/497460900.db2.gz WCGANNXXQDMZPO-MJGOQNOKSA-N 2 2 351.498 3.292 20 30 FGEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000245569335 497460903 /nfs/dbraw/zinc/46/09/03/497460903.db2.gz WCGANNXXQDMZPO-MJGOQNOKSA-N 2 2 351.498 3.292 20 30 FGEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)c(F)c1 ZINC000271975762 497501384 /nfs/dbraw/zinc/50/13/84/497501384.db2.gz VMUXVZVULJTQSO-BUKVSMQUSA-N 2 2 367.468 3.231 20 30 FGEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(C#N)c(F)c1 ZINC000271975762 497501392 /nfs/dbraw/zinc/50/13/92/497501392.db2.gz VMUXVZVULJTQSO-BUKVSMQUSA-N 2 2 367.468 3.231 20 30 FGEDLP COCC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccco1 ZINC000272517332 497649317 /nfs/dbraw/zinc/64/93/17/497649317.db2.gz HIIVHNKJJJKFPY-FQEVSTJZSA-N 2 2 353.466 3.483 20 30 FGEDLP C[NH+]1CCC[C@@H]1C(=O)Nc1cc(NC(=O)[C@H]2CCC[N@H+]2C)c(F)cc1F ZINC000329946143 497965661 /nfs/dbraw/zinc/96/56/61/497965661.db2.gz JLUPKLLTLSJKDO-HZPDHXFCSA-N 2 2 366.412 3.329 20 30 FGEDLP C[NH+]1CCC[C@@H]1C(=O)Nc1cc(NC(=O)[C@H]2CCC[N@@H+]2C)c(F)cc1F ZINC000329946143 497965663 /nfs/dbraw/zinc/96/56/63/497965663.db2.gz JLUPKLLTLSJKDO-HZPDHXFCSA-N 2 2 366.412 3.329 20 30 FGEDLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1C#N ZINC000282438348 498512505 /nfs/dbraw/zinc/51/25/05/498512505.db2.gz FUEJTVSYPQQSDM-SFHVURJKSA-N 2 2 350.466 3.479 20 30 FGEDLP COc1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)ccc1C#N ZINC000282438348 498512516 /nfs/dbraw/zinc/51/25/16/498512516.db2.gz FUEJTVSYPQQSDM-SFHVURJKSA-N 2 2 350.466 3.479 20 30 FGEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000332246402 498617993 /nfs/dbraw/zinc/61/79/93/498617993.db2.gz XBUAMNRGMQIATJ-SVFBPWRDSA-N 2 2 362.562 3.017 20 30 FGEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000332246402 498617997 /nfs/dbraw/zinc/61/79/97/498617997.db2.gz XBUAMNRGMQIATJ-SVFBPWRDSA-N 2 2 362.562 3.017 20 30 FGEDLP Cc1nc2c(cccc2C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)[nH]1 ZINC000328682080 498900767 /nfs/dbraw/zinc/90/07/67/498900767.db2.gz CVXCWTNOVJNZLJ-UHFFFAOYSA-N 2 2 369.513 3.126 20 30 FGEDLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328777308 498935762 /nfs/dbraw/zinc/93/57/62/498935762.db2.gz DALQJZMHICVYJU-IIBYNOLFSA-N 2 2 373.497 3.242 20 30 FGEDLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000328777308 498935764 /nfs/dbraw/zinc/93/57/64/498935764.db2.gz DALQJZMHICVYJU-IIBYNOLFSA-N 2 2 373.497 3.242 20 30 FGEDLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000328777308 498935766 /nfs/dbraw/zinc/93/57/66/498935766.db2.gz DALQJZMHICVYJU-IIBYNOLFSA-N 2 2 373.497 3.242 20 30 FGEDLP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000328777308 498935767 /nfs/dbraw/zinc/93/57/67/498935767.db2.gz DALQJZMHICVYJU-IIBYNOLFSA-N 2 2 373.497 3.242 20 30 FGEDLP C[C@H](C(=O)NC1CCCC1)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000329135584 499052566 /nfs/dbraw/zinc/05/25/66/499052566.db2.gz QOYDTZGWCXPSDE-JTDSTZFVSA-N 2 2 361.534 3.022 20 30 FGEDLP C[C@H](C(=O)NC1CCCC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000329135584 499052568 /nfs/dbraw/zinc/05/25/68/499052568.db2.gz QOYDTZGWCXPSDE-JTDSTZFVSA-N 2 2 361.534 3.022 20 30 FGEDLP C[C@H](C(=O)NC1CCCC1)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329135584 499052570 /nfs/dbraw/zinc/05/25/70/499052570.db2.gz QOYDTZGWCXPSDE-JTDSTZFVSA-N 2 2 361.534 3.022 20 30 FGEDLP C[C@H](C(=O)NC1CCCC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000329135584 499052573 /nfs/dbraw/zinc/05/25/73/499052573.db2.gz QOYDTZGWCXPSDE-JTDSTZFVSA-N 2 2 361.534 3.022 20 30 FGEDLP Cc1cc(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c[nH+]c1N1CCCC[C@H]1C ZINC000329335450 499102731 /nfs/dbraw/zinc/10/27/31/499102731.db2.gz LGAGZVAUJUZXHM-ZIFCJYIRSA-N 2 2 371.529 3.340 20 30 FGEDLP Cc1cc(NC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c[nH+]c1N1CCCC[C@H]1C ZINC000329335450 499102733 /nfs/dbraw/zinc/10/27/33/499102733.db2.gz LGAGZVAUJUZXHM-ZIFCJYIRSA-N 2 2 371.529 3.340 20 30 FGEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@@H]1C ZINC000329438358 499121919 /nfs/dbraw/zinc/12/19/19/499121919.db2.gz APWWJQIWNZUPME-IRXDYDNUSA-N 2 2 372.513 3.206 20 30 FGEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@@H]1C ZINC000329438358 499121920 /nfs/dbraw/zinc/12/19/20/499121920.db2.gz APWWJQIWNZUPME-IRXDYDNUSA-N 2 2 372.513 3.206 20 30 FGEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@@H]1C ZINC000329438358 499121922 /nfs/dbraw/zinc/12/19/22/499121922.db2.gz APWWJQIWNZUPME-IRXDYDNUSA-N 2 2 372.513 3.206 20 30 FGEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@@H]1C ZINC000329438358 499121923 /nfs/dbraw/zinc/12/19/23/499121923.db2.gz APWWJQIWNZUPME-IRXDYDNUSA-N 2 2 372.513 3.206 20 30 FGEDLP C[N@H+](CCCC1(C#N)CCOCC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000369078269 499363322 /nfs/dbraw/zinc/36/33/22/499363322.db2.gz YKIUPXNBRRODHI-PMACEKPBSA-N 2 2 356.514 3.107 20 30 FGEDLP C[N@@H+](CCCC1(C#N)CCOCC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000369078269 499363324 /nfs/dbraw/zinc/36/33/24/499363324.db2.gz YKIUPXNBRRODHI-PMACEKPBSA-N 2 2 356.514 3.107 20 30 FGEDLP C[NH+](CCCC1(C#N)CCOCC1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000369078269 499363325 /nfs/dbraw/zinc/36/33/25/499363325.db2.gz YKIUPXNBRRODHI-PMACEKPBSA-N 2 2 356.514 3.107 20 30 FGEDLP C[NH+](CCCC1(C#N)CCOCC1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000369078269 499363327 /nfs/dbraw/zinc/36/33/27/499363327.db2.gz YKIUPXNBRRODHI-PMACEKPBSA-N 2 2 356.514 3.107 20 30 FGEDLP N#CC1(CCC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCOCC1 ZINC000376593948 499621330 /nfs/dbraw/zinc/62/13/30/499621330.db2.gz BQVBGEXUPUXYKG-SFHVURJKSA-N 2 2 356.514 3.499 20 30 FGEDLP N#CC1(CCC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCOCC1 ZINC000376593948 499621331 /nfs/dbraw/zinc/62/13/31/499621331.db2.gz BQVBGEXUPUXYKG-SFHVURJKSA-N 2 2 356.514 3.499 20 30 FGEDLP C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420303516 500437488 /nfs/dbraw/zinc/43/74/88/500437488.db2.gz KMJKUIOVUVZHMZ-IRXDYDNUSA-N 2 2 350.915 3.320 20 30 FGEDLP C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420303516 500437489 /nfs/dbraw/zinc/43/74/89/500437489.db2.gz KMJKUIOVUVZHMZ-IRXDYDNUSA-N 2 2 350.915 3.320 20 30 FGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OC)cc2OCc2cccnc2)CC1 ZINC000443958491 500783787 /nfs/dbraw/zinc/78/37/87/500783787.db2.gz LDHMDVPGIOMIMU-UHFFFAOYSA-N 2 2 367.493 3.409 20 30 FGEDLP C=CCSc1ccccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000485464561 501828455 /nfs/dbraw/zinc/82/84/55/501828455.db2.gz LPZCJYZXVIMHQJ-UHFFFAOYSA-N 2 2 361.555 3.063 20 30 FGEDLP C=CCSc1ccccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000485464561 501828460 /nfs/dbraw/zinc/82/84/60/501828460.db2.gz LPZCJYZXVIMHQJ-UHFFFAOYSA-N 2 2 361.555 3.063 20 30 FGEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@@H]1C ZINC000484929878 502779598 /nfs/dbraw/zinc/77/95/98/502779598.db2.gz YOXPURZMSDFCAA-ICSRJNTNSA-N 2 2 370.541 3.355 20 30 FGEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@@H]1C ZINC000484929878 502779599 /nfs/dbraw/zinc/77/95/99/502779599.db2.gz YOXPURZMSDFCAA-ICSRJNTNSA-N 2 2 370.541 3.355 20 30 FGEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@@H]1C ZINC000484929878 502779601 /nfs/dbraw/zinc/77/96/01/502779601.db2.gz YOXPURZMSDFCAA-ICSRJNTNSA-N 2 2 370.541 3.355 20 30 FGEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@@H]1C ZINC000484929878 502779602 /nfs/dbraw/zinc/77/96/02/502779602.db2.gz YOXPURZMSDFCAA-ICSRJNTNSA-N 2 2 370.541 3.355 20 30 FGEDLP Cc1cccc2[nH+]cc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n21 ZINC000506249127 503078266 /nfs/dbraw/zinc/07/82/66/503078266.db2.gz QSAGDJOERHPONN-UHFFFAOYSA-N 2 2 359.477 3.222 20 30 FGEDLP Cc1cccc2[nH+]cc(CN3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)n21 ZINC000506249127 503078271 /nfs/dbraw/zinc/07/82/71/503078271.db2.gz QSAGDJOERHPONN-UHFFFAOYSA-N 2 2 359.477 3.222 20 30 FGEDLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H](C)O1 ZINC000517629767 503790028 /nfs/dbraw/zinc/79/00/28/503790028.db2.gz BWRRCXARYFZYMZ-ZIAGYGMSSA-N 2 2 355.404 3.166 20 30 FGEDLP CCc1ccc([C@H](CO)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000537303098 503873526 /nfs/dbraw/zinc/87/35/26/503873526.db2.gz DQPJLIVDWIMEJD-QHCPKHFHSA-N 2 2 363.505 3.408 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000533762032 503944118 /nfs/dbraw/zinc/94/41/18/503944118.db2.gz SJJUUZJLTIDZLN-GOSISDBHSA-N 2 2 352.482 3.010 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000533762032 503944122 /nfs/dbraw/zinc/94/41/22/503944122.db2.gz SJJUUZJLTIDZLN-GOSISDBHSA-N 2 2 352.482 3.010 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534579243 504181316 /nfs/dbraw/zinc/18/13/16/504181316.db2.gz HUHVMWOCJGWCAB-OAHLLOKOSA-N 2 2 356.495 3.126 20 30 FGEDLP C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534579243 504181322 /nfs/dbraw/zinc/18/13/22/504181322.db2.gz HUHVMWOCJGWCAB-OAHLLOKOSA-N 2 2 356.495 3.126 20 30 FGEDLP C[C@@H](c1cccc(NCc2c[nH+]c3ccc(C#N)cn23)c1)[NH+]1CCOCC1 ZINC000535835784 504561069 /nfs/dbraw/zinc/56/10/69/504561069.db2.gz ORHLJYJXDWRFIJ-INIZCTEOSA-N 2 2 361.449 3.211 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000593323984 506541409 /nfs/dbraw/zinc/54/14/09/506541409.db2.gz WRMKNVFREYYWFT-FDFHNCONSA-N 3 2 352.526 3.033 20 30 FGEDLP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000594441046 507135264 /nfs/dbraw/zinc/13/52/64/507135264.db2.gz LPHFZICEHICWDF-GOSISDBHSA-N 2 2 351.454 3.236 20 30 FGEDLP C=CC[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)Cc1ccccc1 ZINC000613612783 507181774 /nfs/dbraw/zinc/18/17/74/507181774.db2.gz PWHOGCKQDXNIDP-UHFFFAOYSA-N 2 2 369.534 3.081 20 30 FGEDLP C=CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)Cc1ccccc1 ZINC000613612783 507181778 /nfs/dbraw/zinc/18/17/78/507181778.db2.gz PWHOGCKQDXNIDP-UHFFFAOYSA-N 2 2 369.534 3.081 20 30 FGEDLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000595104667 507394426 /nfs/dbraw/zinc/39/44/26/507394426.db2.gz AXGCVLQNPDIHFI-UTKZUKDTSA-N 2 2 366.484 3.164 20 30 FGEDLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000595104667 507394434 /nfs/dbraw/zinc/39/44/34/507394434.db2.gz AXGCVLQNPDIHFI-UTKZUKDTSA-N 2 2 366.484 3.164 20 30 FGEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328654517 534048075 /nfs/dbraw/zinc/04/80/75/534048075.db2.gz XNBTWEMECSESAC-NBHGPNQESA-N 2 2 351.498 3.368 20 30 FGEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328654517 534048083 /nfs/dbraw/zinc/04/80/83/534048083.db2.gz XNBTWEMECSESAC-NBHGPNQESA-N 2 2 351.498 3.368 20 30 FGEDLP C[C@@H](c1ccc(C#N)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328654517 534048087 /nfs/dbraw/zinc/04/80/87/534048087.db2.gz XNBTWEMECSESAC-NBHGPNQESA-N 2 2 351.498 3.368 20 30 FGEDLP C[C@@H](c1ccc(C#N)cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328654517 534048097 /nfs/dbraw/zinc/04/80/97/534048097.db2.gz XNBTWEMECSESAC-NBHGPNQESA-N 2 2 351.498 3.368 20 30 FGEDLP CCCC[N@H+](C)CC1CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000083172567 494002498 /nfs/dbraw/zinc/00/24/98/494002498.db2.gz ZVVYPHLBUFNATA-FQEVSTJZSA-N 2 2 357.498 3.216 20 30 FGEDLP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000083172567 494002500 /nfs/dbraw/zinc/00/25/00/494002500.db2.gz ZVVYPHLBUFNATA-FQEVSTJZSA-N 2 2 357.498 3.216 20 30 FGEDLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000577428171 505724763 /nfs/dbraw/zinc/72/47/63/505724763.db2.gz SRDGEZWHXXGUCS-UHFFFAOYSA-N 2 2 360.914 3.315 20 30 FGEDLP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c1C ZINC000111243627 495054327 /nfs/dbraw/zinc/05/43/27/495054327.db2.gz FXLPWULPMGLEGC-UHFFFAOYSA-N 2 2 365.481 3.084 20 30 FGEDLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000124241689 495256483 /nfs/dbraw/zinc/25/64/83/495256483.db2.gz IKHYCWACKAAXCZ-UHFFFAOYSA-N 2 2 371.510 3.046 20 30 FGEDLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000124241689 495256486 /nfs/dbraw/zinc/25/64/86/495256486.db2.gz IKHYCWACKAAXCZ-UHFFFAOYSA-N 2 2 371.510 3.046 20 30 FGEDLP CN(C(=O)c1sccc1C#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124541610 495303853 /nfs/dbraw/zinc/30/38/53/495303853.db2.gz OGXIAJIIHHXCFT-MSOLQXFVSA-N 2 2 374.554 3.029 20 30 FGEDLP CN(C(=O)c1sccc1C#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124541610 495303855 /nfs/dbraw/zinc/30/38/55/495303855.db2.gz OGXIAJIIHHXCFT-MSOLQXFVSA-N 2 2 374.554 3.029 20 30 FGEDLP C=C[C@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000136131144 495358561 /nfs/dbraw/zinc/35/85/61/495358561.db2.gz ACGOMUDKUIACLD-HXUWFJFHSA-N 2 2 369.553 3.413 20 30 FGEDLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000130305589 495370663 /nfs/dbraw/zinc/37/06/63/495370663.db2.gz WMXZCSFIWWZFPS-GOSISDBHSA-N 2 2 356.514 3.013 20 30 FGEDLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000130305381 495370857 /nfs/dbraw/zinc/37/08/57/495370857.db2.gz WMXZCSFIWWZFPS-SFHVURJKSA-N 2 2 356.514 3.013 20 30 FGEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000174368463 495930072 /nfs/dbraw/zinc/93/00/72/495930072.db2.gz JGGNYBSQMVFCMQ-UHFFFAOYSA-N 2 2 358.873 3.107 20 30 FGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)CC1 ZINC000177907387 496247069 /nfs/dbraw/zinc/24/70/69/496247069.db2.gz WJZQWBNJGIYXHV-KRWDZBQOSA-N 2 2 354.498 3.300 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157009741 496384988 /nfs/dbraw/zinc/38/49/88/496384988.db2.gz YGKFVHPPLYFVMD-CTNGQTDRSA-N 2 2 355.526 3.172 20 30 FGEDLP C=CCN(CC=C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157009741 496384994 /nfs/dbraw/zinc/38/49/94/496384994.db2.gz YGKFVHPPLYFVMD-CTNGQTDRSA-N 2 2 355.526 3.172 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157009741 496384999 /nfs/dbraw/zinc/38/49/99/496384999.db2.gz YGKFVHPPLYFVMD-CTNGQTDRSA-N 2 2 355.526 3.172 20 30 FGEDLP C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157009741 496385001 /nfs/dbraw/zinc/38/50/01/496385001.db2.gz YGKFVHPPLYFVMD-CTNGQTDRSA-N 2 2 355.526 3.172 20 30 FGEDLP NC(=[NH+]OCc1nccn1C(F)F)c1cccc(C[NH+]2CCCCC2)c1 ZINC000157108713 496407335 /nfs/dbraw/zinc/40/73/35/496407335.db2.gz AOOIGYOGZMWKPO-UHFFFAOYSA-N 2 2 363.412 3.101 20 30 FGEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261965322 497483345 /nfs/dbraw/zinc/48/33/45/497483345.db2.gz LIOWGRZQXMBTTL-QGZVFWFLSA-N 2 2 367.497 3.187 20 30 FGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H](C)C1 ZINC000246421434 497729652 /nfs/dbraw/zinc/72/96/52/497729652.db2.gz BWDWOXFRABQCFO-FXAWDEMLSA-N 2 2 366.509 3.400 20 30 FGEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H](C)C1 ZINC000246421434 497729658 /nfs/dbraw/zinc/72/96/58/497729658.db2.gz BWDWOXFRABQCFO-FXAWDEMLSA-N 2 2 366.509 3.400 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H](C)C1 ZINC000246421434 497729662 /nfs/dbraw/zinc/72/96/62/497729662.db2.gz BWDWOXFRABQCFO-FXAWDEMLSA-N 2 2 366.509 3.400 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@@H](C)C1 ZINC000246421434 497729668 /nfs/dbraw/zinc/72/96/68/497729668.db2.gz BWDWOXFRABQCFO-FXAWDEMLSA-N 2 2 366.509 3.400 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)[C@@H](C)C2)s1 ZINC000364469305 497973217 /nfs/dbraw/zinc/97/32/17/497973217.db2.gz UREORYQXXZVPTK-ORAYPTAESA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)[C@@H](C)C2)s1 ZINC000364469305 497973220 /nfs/dbraw/zinc/97/32/20/497973220.db2.gz UREORYQXXZVPTK-ORAYPTAESA-N 2 2 358.486 3.463 20 30 FGEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000330321240 498103781 /nfs/dbraw/zinc/10/37/81/498103781.db2.gz FUELDKSIJSAETM-FCEWJHQRSA-N 2 2 360.502 3.251 20 30 FGEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCO1 ZINC000330321240 498103788 /nfs/dbraw/zinc/10/37/88/498103788.db2.gz FUELDKSIJSAETM-FCEWJHQRSA-N 2 2 360.502 3.251 20 30 FGEDLP CCN(CC)c1ccc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c[nH+]1 ZINC000330408201 498127358 /nfs/dbraw/zinc/12/73/58/498127358.db2.gz XPPWULXMKNFMSD-UHFFFAOYSA-N 2 2 361.534 3.241 20 30 FGEDLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1C#N ZINC000282006138 498353332 /nfs/dbraw/zinc/35/33/32/498353332.db2.gz JEIRVVWIHAHVAQ-QGZVFWFLSA-N 2 2 350.466 3.479 20 30 FGEDLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1C#N ZINC000282006138 498353338 /nfs/dbraw/zinc/35/33/38/498353338.db2.gz JEIRVVWIHAHVAQ-QGZVFWFLSA-N 2 2 350.466 3.479 20 30 FGEDLP CC[C@@H](COCC(F)(F)F)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000295094149 498907938 /nfs/dbraw/zinc/90/79/38/498907938.db2.gz JPPCDEQSZWNMKU-KRWDZBQOSA-N 2 2 369.431 3.470 20 30 FGEDLP CN(C(=O)c1ccc(C#N)s1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000328869497 498966712 /nfs/dbraw/zinc/96/67/12/498966712.db2.gz XRWSOKFLNLLBKF-ROUUACIJSA-N 2 2 374.554 3.029 20 30 FGEDLP CN(C(=O)c1ccc(C#N)s1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000328869497 498966718 /nfs/dbraw/zinc/96/67/18/498966718.db2.gz XRWSOKFLNLLBKF-ROUUACIJSA-N 2 2 374.554 3.029 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCOc3cccc(C#N)c3)[C@@H](C)C2)s1 ZINC000364045663 499097868 /nfs/dbraw/zinc/09/78/68/499097868.db2.gz VYSFRKCQPOKRKJ-YWZLYKJASA-N 2 2 370.522 3.202 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCOc3cccc(C#N)c3)[C@@H](C)C2)s1 ZINC000364045663 499097871 /nfs/dbraw/zinc/09/78/71/499097871.db2.gz VYSFRKCQPOKRKJ-YWZLYKJASA-N 2 2 370.522 3.202 20 30 FGEDLP Cc1cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c[nH+]c1N1CCCC[C@H]1C ZINC000329369452 499110251 /nfs/dbraw/zinc/11/02/51/499110251.db2.gz IHJPXMDVVCIJIL-AEFFLSMTSA-N 2 2 357.502 3.094 20 30 FGEDLP Cc1cc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)c[nH+]c1N1CCCC[C@H]1C ZINC000329369452 499110258 /nfs/dbraw/zinc/11/02/58/499110258.db2.gz IHJPXMDVVCIJIL-AEFFLSMTSA-N 2 2 357.502 3.094 20 30 FGEDLP C#CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000371678591 499354213 /nfs/dbraw/zinc/35/42/13/499354213.db2.gz BYKGNEKQSFLTRS-QFIPXVFZSA-N 2 2 363.505 3.486 20 30 FGEDLP C#CCCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000371678591 499354215 /nfs/dbraw/zinc/35/42/15/499354215.db2.gz BYKGNEKQSFLTRS-QFIPXVFZSA-N 2 2 363.505 3.486 20 30 FGEDLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1OCCCC#N ZINC000369683711 499436135 /nfs/dbraw/zinc/43/61/35/499436135.db2.gz OEWSTVFDRIALAH-SFHVURJKSA-N 2 2 368.481 3.491 20 30 FGEDLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1OCCCC#N ZINC000369683711 499436137 /nfs/dbraw/zinc/43/61/37/499436137.db2.gz OEWSTVFDRIALAH-SFHVURJKSA-N 2 2 368.481 3.491 20 30 FGEDLP COc1cc(C#N)ccc1C[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375516180 499527552 /nfs/dbraw/zinc/52/75/52/499527552.db2.gz YMRBOCQDNXIBBF-LIRRHRJNSA-N 2 2 370.522 3.332 20 30 FGEDLP COc1cc(C#N)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000375516180 499527553 /nfs/dbraw/zinc/52/75/53/499527553.db2.gz YMRBOCQDNXIBBF-LIRRHRJNSA-N 2 2 370.522 3.332 20 30 FGEDLP COC(=O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000377707353 499723501 /nfs/dbraw/zinc/72/35/01/499723501.db2.gz VFPSKGKPIMYKFA-UHFFFAOYSA-N 2 2 363.461 3.099 20 30 FGEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000449119661 500929564 /nfs/dbraw/zinc/92/95/64/500929564.db2.gz AKLWYQBQSWGLDP-RBUKOAKNSA-N 2 2 373.545 3.007 20 30 FGEDLP C=CCC[C@@H](C)[NH2+]CC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000449555312 501032501 /nfs/dbraw/zinc/03/25/01/501032501.db2.gz QWOGJLGLMKLRND-HXUWFJFHSA-N 2 2 357.542 3.302 20 30 FGEDLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(C#N)cc1F ZINC000512293541 503512445 /nfs/dbraw/zinc/51/24/45/503512445.db2.gz FNPVXRNXCHBLHL-PBHICJAKSA-N 2 2 353.445 3.406 20 30 FGEDLP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(C#N)cc1F ZINC000512671196 503609047 /nfs/dbraw/zinc/60/90/47/503609047.db2.gz DSUHYBYHJLAUIW-KRWDZBQOSA-N 2 2 366.484 3.296 20 30 FGEDLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(C#N)cc1F ZINC000512671196 503609051 /nfs/dbraw/zinc/60/90/51/503609051.db2.gz DSUHYBYHJLAUIW-KRWDZBQOSA-N 2 2 366.484 3.296 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3(C(=O)Nc4ccccc4)CC3)CC2)cc1 ZINC000548308947 504394188 /nfs/dbraw/zinc/39/41/88/504394188.db2.gz KNRZGYARIFBBNS-UHFFFAOYSA-N 2 2 374.488 3.284 20 30 FGEDLP C[NH+](C)[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)Cc1ccccc1 ZINC000552225511 505433206 /nfs/dbraw/zinc/43/32/06/505433206.db2.gz HXOGAIIRDRZMLM-HSZRJFAPSA-N 2 2 362.521 3.290 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000593323033 506539799 /nfs/dbraw/zinc/53/97/99/506539799.db2.gz ONDGLCRJQPBIQS-XPWALMASSA-N 3 2 366.553 3.423 20 30 FGEDLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000599662095 506564140 /nfs/dbraw/zinc/56/41/40/506564140.db2.gz YGIROEYALSMKFA-OAQYLSRUSA-N 2 2 365.477 3.356 20 30 FGEDLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000599662095 506564145 /nfs/dbraw/zinc/56/41/45/506564145.db2.gz YGIROEYALSMKFA-OAQYLSRUSA-N 2 2 365.477 3.356 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc([N+](=O)[O-])cc3F)CC2)c1 ZINC000593693377 506734346 /nfs/dbraw/zinc/73/43/46/506734346.db2.gz WUUOFJFQRBGMAQ-UHFFFAOYSA-N 2 2 368.412 3.360 20 30 FGEDLP CCOc1cc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)ccc1O ZINC000593695075 506736326 /nfs/dbraw/zinc/73/63/26/506736326.db2.gz HGQPHLBCNXBVHF-UHFFFAOYSA-N 2 2 365.477 3.417 20 30 FGEDLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(C#N)c(OC)c2)cc1 ZINC000594738622 507262771 /nfs/dbraw/zinc/26/27/71/507262771.db2.gz IKDJSRDOJXRIJL-SFTDATJTSA-N 2 2 365.477 3.201 20 30 FGEDLP N#CC[C@H]1CCC[NH+](Cc2cncc(C[N@H+]3CCC[C@H](CC#N)C3)c2)C1 ZINC000595623314 507597250 /nfs/dbraw/zinc/59/72/50/507597250.db2.gz MHVAMBVGKJXEGH-RTBURBONSA-N 2 2 351.498 3.333 20 30 FGEDLP N#CC[C@H]1CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@H](CC#N)C3)c2)C1 ZINC000595623314 507597253 /nfs/dbraw/zinc/59/72/53/507597253.db2.gz MHVAMBVGKJXEGH-RTBURBONSA-N 2 2 351.498 3.333 20 30 FGEDLP C#CCOc1ccc(Br)cc1C[NH2+]C1CC[NH+](CC)CC1 ZINC000041635193 695764890 /nfs/dbraw/zinc/76/48/90/695764890.db2.gz PSKVORMLJUDYOE-UHFFFAOYSA-N 2 2 351.288 3.035 20 30 FGEDLP C=C(Br)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000180124107 705729020 /nfs/dbraw/zinc/72/90/20/705729020.db2.gz LXJAGAZGKUWDDZ-UHFFFAOYSA-N 2 2 358.711 3.090 20 30 FGEDLP C=CC[C@]1(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CCC[NH2+]1 ZINC000662670912 720451415 /nfs/dbraw/zinc/45/14/15/720451415.db2.gz JRXRDIGTOHAAFG-HXUWFJFHSA-N 2 2 361.917 3.073 20 30 FGEDLP C=CC[C@]1(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CCC[NH2+]1 ZINC000662670912 720451418 /nfs/dbraw/zinc/45/14/18/720451418.db2.gz JRXRDIGTOHAAFG-HXUWFJFHSA-N 2 2 361.917 3.073 20 30 FGEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1Cl ZINC000903974407 743907114 /nfs/dbraw/zinc/90/71/14/743907114.db2.gz PXKNAULIDMGRQQ-INIZCTEOSA-N 2 2 350.890 3.153 20 30 FGEDLP FC1(F)[C@@H]2C[NH+](CCC[NH2+]C3CC3)C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000923531438 759143587 /nfs/dbraw/zinc/14/35/87/759143587.db2.gz QAWMRKRKGYKDIK-NXEZZACHSA-N 2 2 366.296 3.231 20 30 FGEDLP N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129132474 495200236 /nfs/dbraw/zinc/20/02/36/495200236.db2.gz QZLOLUGAINGDLN-HXUWFJFHSA-N 2 2 361.489 3.379 20 30 FGEDLP N#Cc1ccccc1-c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000129132474 495200239 /nfs/dbraw/zinc/20/02/39/495200239.db2.gz QZLOLUGAINGDLN-HXUWFJFHSA-N 2 2 361.489 3.379 20 30 FGEDLP Cc1cc[nH+]c(N2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)c1 ZINC000120898466 495480339 /nfs/dbraw/zinc/48/03/39/495480339.db2.gz GTBIYEKJFNFFBQ-UHFFFAOYSA-N 2 2 350.466 3.395 20 30 FGEDLP FC(F)(F)Oc1ccc(C#CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000151219820 495776232 /nfs/dbraw/zinc/77/62/32/495776232.db2.gz BLRMQCLPGODBQH-QGZVFWFLSA-N 2 2 352.400 3.354 20 30 FGEDLP FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000151219820 495776234 /nfs/dbraw/zinc/77/62/34/495776234.db2.gz BLRMQCLPGODBQH-QGZVFWFLSA-N 2 2 352.400 3.354 20 30 FGEDLP Cn1cc(C[NH2+]CCCCNc2cccc[nH+]2)c(-c2ccc(C#N)cc2)n1 ZINC000180163558 495886459 /nfs/dbraw/zinc/88/64/59/495886459.db2.gz QSZABZTWAMMMMD-UHFFFAOYSA-N 2 2 360.465 3.336 20 30 FGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](CN2CCOCC2)c2ccc(CC)cc2)CC1 ZINC000183563106 496032787 /nfs/dbraw/zinc/03/27/87/496032787.db2.gz KFYQVYUEGMJFCT-HSZRJFAPSA-N 2 2 371.569 3.252 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157026359 496388818 /nfs/dbraw/zinc/38/88/18/496388818.db2.gz IVTYNHVWSDWYNQ-UZKOGDIHSA-N 2 2 370.541 3.026 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157026359 496388822 /nfs/dbraw/zinc/38/88/22/496388822.db2.gz IVTYNHVWSDWYNQ-UZKOGDIHSA-N 2 2 370.541 3.026 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157026359 496388825 /nfs/dbraw/zinc/38/88/25/496388825.db2.gz IVTYNHVWSDWYNQ-UZKOGDIHSA-N 2 2 370.541 3.026 20 30 FGEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157026359 496388830 /nfs/dbraw/zinc/38/88/30/496388830.db2.gz IVTYNHVWSDWYNQ-UZKOGDIHSA-N 2 2 370.541 3.026 20 30 FGEDLP C[NH+](Cc1ccc(C#N)cc1)CC1(C[N@H+](C)Cc2ccc(C#N)cc2)COC1 ZINC000157622804 496517680 /nfs/dbraw/zinc/51/76/80/496517680.db2.gz QBERQSZNXQYOJV-UHFFFAOYSA-N 2 2 374.488 3.010 20 30 FGEDLP C[NH+](Cc1ccc(C#N)cc1)CC1(C[N@@H+](C)Cc2ccc(C#N)cc2)COC1 ZINC000157622804 496517686 /nfs/dbraw/zinc/51/76/86/496517686.db2.gz QBERQSZNXQYOJV-UHFFFAOYSA-N 2 2 374.488 3.010 20 30 FGEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@H](C)C1 ZINC000175729418 496518537 /nfs/dbraw/zinc/51/85/37/496518537.db2.gz BWDWOXFRABQCFO-XLIONFOSSA-N 2 2 366.509 3.400 20 30 FGEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@H](C)C1 ZINC000175729418 496518540 /nfs/dbraw/zinc/51/85/40/496518540.db2.gz BWDWOXFRABQCFO-XLIONFOSSA-N 2 2 366.509 3.400 20 30 FGEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@H](C)C1 ZINC000175729418 496518542 /nfs/dbraw/zinc/51/85/42/496518542.db2.gz BWDWOXFRABQCFO-XLIONFOSSA-N 2 2 366.509 3.400 20 30 FGEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)c2cn(CCC#N)c3ccccc23)[C@H](C)C1 ZINC000175729418 496518545 /nfs/dbraw/zinc/51/85/45/496518545.db2.gz BWDWOXFRABQCFO-XLIONFOSSA-N 2 2 366.509 3.400 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOc3ccc(C#N)cc3)CC2)cc1 ZINC000181993610 496627526 /nfs/dbraw/zinc/62/75/26/496627526.db2.gz LTYMJYSGZMGYRD-UHFFFAOYSA-N 2 2 360.461 3.063 20 30 FGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC[N@@H+]1Cc1ccccc1 ZINC000175977752 496627942 /nfs/dbraw/zinc/62/79/42/496627942.db2.gz GQAZGKSXHYDPJD-XLIONFOSSA-N 2 2 359.477 3.349 20 30 FGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC[N@H+]1Cc1ccccc1 ZINC000175977752 496627945 /nfs/dbraw/zinc/62/79/45/496627945.db2.gz GQAZGKSXHYDPJD-XLIONFOSSA-N 2 2 359.477 3.349 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246984389 496742667 /nfs/dbraw/zinc/74/26/67/496742667.db2.gz LBSRBJCURJZARP-JBYIUTFZSA-N 2 2 364.493 3.373 20 30 FGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000246984389 496742670 /nfs/dbraw/zinc/74/26/70/496742670.db2.gz LBSRBJCURJZARP-JBYIUTFZSA-N 2 2 364.493 3.373 20 30 FGEDLP C[NH+](C)CCC1CC[NH+](Cc2ccc(Br)cc2C#N)CC1 ZINC000574908441 505881200 /nfs/dbraw/zinc/88/12/00/505881200.db2.gz JSOYBTBMIQZVIV-UHFFFAOYSA-N 2 2 350.304 3.484 20 30 FGEDLP C#CCOc1ccc(Br)cc1C[NH2+]C1CC[NH+](CC=C)CC1 ZINC000236620183 497122026 /nfs/dbraw/zinc/12/20/26/497122026.db2.gz CTCSRXOPUKSGHN-UHFFFAOYSA-N 2 2 363.299 3.201 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1OC ZINC000237277994 497214751 /nfs/dbraw/zinc/21/47/51/497214751.db2.gz ULZSFIVAVFVJNO-CQSZACIVSA-N 2 2 369.303 3.206 20 30 FGEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1OC ZINC000237277994 497214756 /nfs/dbraw/zinc/21/47/56/497214756.db2.gz ULZSFIVAVFVJNO-CQSZACIVSA-N 2 2 369.303 3.206 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245446180 497410835 /nfs/dbraw/zinc/41/08/35/497410835.db2.gz KZJQUWFNFTXLSY-RTBURBONSA-N 2 2 356.514 3.128 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245446180 497410838 /nfs/dbraw/zinc/41/08/38/497410838.db2.gz KZJQUWFNFTXLSY-RTBURBONSA-N 2 2 356.514 3.128 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245446180 497410841 /nfs/dbraw/zinc/41/08/41/497410841.db2.gz KZJQUWFNFTXLSY-RTBURBONSA-N 2 2 356.514 3.128 20 30 FGEDLP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245446180 497410846 /nfs/dbraw/zinc/41/08/46/497410846.db2.gz KZJQUWFNFTXLSY-RTBURBONSA-N 2 2 356.514 3.128 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000271863462 497473156 /nfs/dbraw/zinc/47/31/56/497473156.db2.gz KXRMRXCHAADBOM-DEOSSOPVSA-N 2 2 374.532 3.387 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000271863462 497473162 /nfs/dbraw/zinc/47/31/62/497473162.db2.gz KXRMRXCHAADBOM-DEOSSOPVSA-N 2 2 374.532 3.387 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCN(Cc4ccccc4)C3)CC2)cc1 ZINC000271863462 497473169 /nfs/dbraw/zinc/47/31/69/497473169.db2.gz KXRMRXCHAADBOM-DEOSSOPVSA-N 2 2 374.532 3.387 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CC[NH+](C4CCC4)CC3)CC2)cc1 ZINC000271875027 497476837 /nfs/dbraw/zinc/47/68/37/497476837.db2.gz NTTYJEFYLNVIKB-UHFFFAOYSA-N 3 2 352.526 3.129 20 30 FGEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000280214011 497683718 /nfs/dbraw/zinc/68/37/18/497683718.db2.gz KKHWQNCMTJYOAK-NRFANRHFSA-N 2 2 367.497 3.036 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277227294 497782378 /nfs/dbraw/zinc/78/23/78/497782378.db2.gz OKFPDQWREPKBFO-MOPGFXCFSA-N 2 2 356.514 3.046 20 30 FGEDLP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277227294 497782382 /nfs/dbraw/zinc/78/23/82/497782382.db2.gz OKFPDQWREPKBFO-MOPGFXCFSA-N 2 2 356.514 3.046 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@@H]3c3cccnc3)CC2)cc1 ZINC000284620413 497845425 /nfs/dbraw/zinc/84/54/25/497845425.db2.gz MHYYICBAPKUPEN-FCHUYYIVSA-N 2 2 362.477 3.037 20 30 FGEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000330248565 498078593 /nfs/dbraw/zinc/07/85/93/498078593.db2.gz GEONPWVEWMGRTL-ROUUACIJSA-N 2 2 361.534 3.464 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000361666276 498416700 /nfs/dbraw/zinc/41/67/00/498416700.db2.gz DLBBBPYZJLKFGN-QZTJIDSGSA-N 2 2 371.529 3.202 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000361666276 498416705 /nfs/dbraw/zinc/41/67/05/498416705.db2.gz DLBBBPYZJLKFGN-QZTJIDSGSA-N 2 2 371.529 3.202 20 30 FGEDLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3cnc(C)s3)C[C@@H]2C)cc1C#N ZINC000363526022 498861579 /nfs/dbraw/zinc/86/15/79/498861579.db2.gz BHIUCNMFCIYKNQ-LIRRHRJNSA-N 2 2 370.522 3.332 20 30 FGEDLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3cnc(C)s3)C[C@@H]2C)cc1C#N ZINC000363526022 498861588 /nfs/dbraw/zinc/86/15/88/498861588.db2.gz BHIUCNMFCIYKNQ-LIRRHRJNSA-N 2 2 370.522 3.332 20 30 FGEDLP Cc1ccn2cc(CNC(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)[nH+]c2c1 ZINC000329119257 499047911 /nfs/dbraw/zinc/04/79/11/499047911.db2.gz OZVBNZXKTWSKQN-GOSISDBHSA-N 2 2 355.486 3.007 20 30 FGEDLP C[C@@H](C(=O)NC1CCCC1)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000329135585 499052370 /nfs/dbraw/zinc/05/23/70/499052370.db2.gz QOYDTZGWCXPSDE-TXPKVOOTSA-N 2 2 361.534 3.022 20 30 FGEDLP C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000329135585 499052372 /nfs/dbraw/zinc/05/23/72/499052372.db2.gz QOYDTZGWCXPSDE-TXPKVOOTSA-N 2 2 361.534 3.022 20 30 FGEDLP C[C@@H](C(=O)NC1CCCC1)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329135585 499052375 /nfs/dbraw/zinc/05/23/75/499052375.db2.gz QOYDTZGWCXPSDE-TXPKVOOTSA-N 2 2 361.534 3.022 20 30 FGEDLP C[C@@H](C(=O)NC1CCCC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000329135585 499052380 /nfs/dbraw/zinc/05/23/80/499052380.db2.gz QOYDTZGWCXPSDE-TXPKVOOTSA-N 2 2 361.534 3.022 20 30 FGEDLP C[C@H]1CC[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000329181901 499065723 /nfs/dbraw/zinc/06/57/23/499065723.db2.gz NOLXINWJUVJYIN-DZGCQCFKSA-N 2 2 359.499 3.390 20 30 FGEDLP C[C@H]1CC[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000329181901 499065729 /nfs/dbraw/zinc/06/57/29/499065729.db2.gz NOLXINWJUVJYIN-DZGCQCFKSA-N 2 2 359.499 3.390 20 30 FGEDLP C=CCN(C(=O)[C@H]1CCCn2cc[nH+]c21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000371827356 499369301 /nfs/dbraw/zinc/36/93/01/499369301.db2.gz USMIGATWFWTKEJ-UXHICEINSA-N 2 2 364.493 3.050 20 30 FGEDLP C=CCN(C(=O)[C@H]1CCCn2cc[nH+]c21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000371827356 499369303 /nfs/dbraw/zinc/36/93/03/499369303.db2.gz USMIGATWFWTKEJ-UXHICEINSA-N 2 2 364.493 3.050 20 30 FGEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000369257799 499384094 /nfs/dbraw/zinc/38/40/94/499384094.db2.gz JLYQKXPIRQZDKV-SFHVURJKSA-N 2 2 351.454 3.154 20 30 FGEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000369257799 499384095 /nfs/dbraw/zinc/38/40/95/499384095.db2.gz JLYQKXPIRQZDKV-SFHVURJKSA-N 2 2 351.454 3.154 20 30 FGEDLP CC1(C)[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]2CCCO[C@H]21 ZINC000373184049 499455979 /nfs/dbraw/zinc/45/59/79/499455979.db2.gz BOVBWBOADFDKNU-NJDAHSKKSA-N 2 2 353.510 3.316 20 30 FGEDLP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000414224579 499769407 /nfs/dbraw/zinc/76/94/07/499769407.db2.gz RCPVMGAFZJKTBQ-PKTZIBPZSA-N 2 2 361.489 3.425 20 30 FGEDLP CN(C(=O)c1cscc1C#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000570417207 506163920 /nfs/dbraw/zinc/16/39/20/506163920.db2.gz UBUJVSCLPAEDLY-RTBURBONSA-N 2 2 374.554 3.029 20 30 FGEDLP CN(C(=O)c1cscc1C#N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000570417207 506163923 /nfs/dbraw/zinc/16/39/23/506163923.db2.gz UBUJVSCLPAEDLY-RTBURBONSA-N 2 2 374.554 3.029 20 30 FGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC000428473907 500514526 /nfs/dbraw/zinc/51/45/26/500514526.db2.gz HTBQHTGORADLQT-LJQANCHMSA-N 2 2 373.545 3.059 20 30 FGEDLP N#Cc1ccc(N2CCC([NH2+]CC3CC[NH+](CC(F)F)CC3)CC2)cc1 ZINC000598918419 506226618 /nfs/dbraw/zinc/22/66/18/506226618.db2.gz BNIXHRGEZBXSAU-UHFFFAOYSA-N 2 2 362.468 3.094 20 30 FGEDLP C=CCOc1ccc(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435425362 500972826 /nfs/dbraw/zinc/97/28/26/500972826.db2.gz CSNMAWZLUMHSCF-FQEVSTJZSA-N 2 2 366.509 3.129 20 30 FGEDLP C=CCOc1ccc(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435425362 500972829 /nfs/dbraw/zinc/97/28/29/500972829.db2.gz CSNMAWZLUMHSCF-FQEVSTJZSA-N 2 2 366.509 3.129 20 30 FGEDLP COc1ccc(C#N)cc1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459477210 501660328 /nfs/dbraw/zinc/66/03/28/501660328.db2.gz GWYWULBLESOPGH-UHFFFAOYSA-N 2 2 358.445 3.437 20 30 FGEDLP C=CCc1cc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc(OC)c1O ZINC000467541315 501820292 /nfs/dbraw/zinc/82/02/92/501820292.db2.gz FKWRWRPVEZJQAQ-UHFFFAOYSA-N 2 2 353.466 3.155 20 30 FGEDLP N#C[C@@H](c1cccc(Cl)c1)N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000471023428 501894368 /nfs/dbraw/zinc/89/43/68/501894368.db2.gz UWMWWGDJODPPIR-FQEVSTJZSA-N 2 2 360.933 3.398 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000469848485 502567011 /nfs/dbraw/zinc/56/70/11/502567011.db2.gz KDXRLCODPHHIMZ-GXTWGEPZSA-N 2 2 369.303 3.192 20 30 FGEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000469848485 502567013 /nfs/dbraw/zinc/56/70/13/502567013.db2.gz KDXRLCODPHHIMZ-GXTWGEPZSA-N 2 2 369.303 3.192 20 30 FGEDLP CN(C(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)C1(C#N)CCCCC1 ZINC000543989038 503962929 /nfs/dbraw/zinc/96/29/29/503962929.db2.gz RDSXCGTXUZRLTL-UHFFFAOYSA-N 2 2 371.529 3.060 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCSCC(F)(F)F)CC2)cc1 ZINC000538407294 504237750 /nfs/dbraw/zinc/23/77/50/504237750.db2.gz SXGVUBAKXSAWFA-UHFFFAOYSA-N 2 2 357.445 3.408 20 30 FGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc(-c4cc[nH]n4)o3)CC2)c1 ZINC000593692570 506733879 /nfs/dbraw/zinc/73/38/79/506733879.db2.gz GHFWIVLRGIFGEV-UHFFFAOYSA-N 2 2 361.449 3.296 20 30 FGEDLP N#Cc1sccc1N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000597183192 506820910 /nfs/dbraw/zinc/82/09/10/506820910.db2.gz JTYKJWUIRGNATR-UHFFFAOYSA-N 2 2 355.492 3.189 20 30 FGEDLP COC(=O)c1cc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)c(C)o1 ZINC000594606308 507206934 /nfs/dbraw/zinc/20/69/34/507206934.db2.gz KBWPTFCWMSZEHW-UHFFFAOYSA-N 2 2 367.449 3.001 20 30 FGEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000594969628 507336804 /nfs/dbraw/zinc/33/68/04/507336804.db2.gz YKGBZPNDPXIDSW-LJQANCHMSA-N 2 2 351.498 3.426 20 30 FGEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000594969628 507336809 /nfs/dbraw/zinc/33/68/09/507336809.db2.gz YKGBZPNDPXIDSW-LJQANCHMSA-N 2 2 351.498 3.426 20 30 FGEDLP C#CCOc1ccc(Br)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000041635642 695764845 /nfs/dbraw/zinc/76/48/45/695764845.db2.gz FUZKJAGGXUZCJO-UHFFFAOYSA-N 2 2 351.288 3.037 20 30 FGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1OC ZINC000629657430 716332322 /nfs/dbraw/zinc/33/23/22/716332322.db2.gz XSJXTYRYNFRYPM-HUUCEWRRSA-N 2 2 358.404 3.219 20 30 FGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1OC ZINC000629657430 716332325 /nfs/dbraw/zinc/33/23/25/716332325.db2.gz XSJXTYRYNFRYPM-HUUCEWRRSA-N 2 2 358.404 3.219 20 30 FGEDLP CCCCCCCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000754849704 722946928 /nfs/dbraw/zinc/94/69/28/722946928.db2.gz JIWNQZQCRSMGTC-UHFFFAOYSA-N 2 2 352.567 3.205 20 30 FGEDLP CCCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000771772457 723742086 /nfs/dbraw/zinc/74/20/86/723742086.db2.gz QMIAEKMPSRXEKK-IBGZPJMESA-N 2 2 352.567 3.157 20 30 FGEDLP CCCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000771772457 723742087 /nfs/dbraw/zinc/74/20/87/723742087.db2.gz QMIAEKMPSRXEKK-IBGZPJMESA-N 2 2 352.567 3.157 20 30 FGEDLP N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000080958590 493800441 /nfs/dbraw/zinc/80/04/41/493800441.db2.gz UHEJWWVPSFLSRO-AWEZNQCLSA-N 2 2 357.845 3.143 20 30 FGEDLP N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000080958590 493800446 /nfs/dbraw/zinc/80/04/46/493800446.db2.gz UHEJWWVPSFLSRO-AWEZNQCLSA-N 2 2 357.845 3.143 20 30 FGEDLP N#Cc1ccsc1NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045806514 494465292 /nfs/dbraw/zinc/46/52/92/494465292.db2.gz UNSKPOMHURYCMO-UHFFFAOYSA-N 2 2 360.527 3.146 20 30 FGEDLP CC[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)[N@@H+]1CCc2ccccc2C1 ZINC000123227190 495099952 /nfs/dbraw/zinc/09/99/52/495099952.db2.gz AKGQZCNSHXKVBT-FQEVSTJZSA-N 2 2 359.477 3.132 20 30 FGEDLP CC[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)[N@H+]1CCc2ccccc2C1 ZINC000123227190 495099954 /nfs/dbraw/zinc/09/99/54/495099954.db2.gz AKGQZCNSHXKVBT-FQEVSTJZSA-N 2 2 359.477 3.132 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129746877 495289373 /nfs/dbraw/zinc/28/93/73/495289373.db2.gz WDMSPOXRNJLUGX-HBFSDRIKSA-N 2 2 365.481 3.101 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129746877 495289376 /nfs/dbraw/zinc/28/93/76/495289376.db2.gz WDMSPOXRNJLUGX-HBFSDRIKSA-N 2 2 365.481 3.101 20 30 FGEDLP CC[NH+]1CCC([N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000125207663 495406512 /nfs/dbraw/zinc/40/65/12/495406512.db2.gz YXQCSGHTADXNEO-UHFFFAOYSA-N 2 2 351.498 3.380 20 30 FGEDLP CC[NH+]1CCC([N@@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000125207663 495406514 /nfs/dbraw/zinc/40/65/14/495406514.db2.gz YXQCSGHTADXNEO-UHFFFAOYSA-N 2 2 351.498 3.380 20 30 FGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000185785698 495725413 /nfs/dbraw/zinc/72/54/13/495725413.db2.gz XTSXAJFHUFVVQP-FGZHOGPDSA-N 2 2 354.542 3.256 20 30 FGEDLP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3ccc(C#N)s3)CC2)c1 ZINC000176945032 495852177 /nfs/dbraw/zinc/85/21/77/495852177.db2.gz VFPCILXARDRTNZ-UHFFFAOYSA-N 2 2 354.523 3.230 20 30 FGEDLP N#Cc1cnc2ccccc2c1N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000160764324 496038238 /nfs/dbraw/zinc/03/82/38/496038238.db2.gz PBGLKGIFXSNMLI-UHFFFAOYSA-N 2 2 363.509 3.104 20 30 FGEDLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000181628967 496476239 /nfs/dbraw/zinc/47/62/39/496476239.db2.gz UUGWDSATFVPAPQ-DLBZAZTESA-N 2 2 357.477 3.062 20 30 FGEDLP C=C(C)COc1cc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)ccc1OC ZINC000184768695 496524481 /nfs/dbraw/zinc/52/44/81/496524481.db2.gz GVPAEIOYBQFIQE-UHFFFAOYSA-N 2 2 368.481 3.071 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC[C@@H]3n3cccn3)CC2)cc1 ZINC000181846923 496570201 /nfs/dbraw/zinc/57/02/01/496570201.db2.gz WMKSEFSINQFMFA-VXKWHMMOSA-N 2 2 363.509 3.493 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247471304 496865876 /nfs/dbraw/zinc/86/58/76/496865876.db2.gz JGVIACBCQFVXCT-PKOBYXMFSA-N 2 2 374.504 3.267 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247471304 496865881 /nfs/dbraw/zinc/86/58/81/496865881.db2.gz JGVIACBCQFVXCT-PKOBYXMFSA-N 2 2 374.504 3.267 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247471304 496865885 /nfs/dbraw/zinc/86/58/85/496865885.db2.gz JGVIACBCQFVXCT-PKOBYXMFSA-N 2 2 374.504 3.267 20 30 FGEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247471304 496865889 /nfs/dbraw/zinc/86/58/89/496865889.db2.gz JGVIACBCQFVXCT-PKOBYXMFSA-N 2 2 374.504 3.267 20 30 FGEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)ccc2Br)[C@H](C)C1 ZINC000191813097 496899047 /nfs/dbraw/zinc/89/90/47/496899047.db2.gz SQRZFBOITXFERO-DYVFJYSZSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)ccc2Br)[C@H](C)C1 ZINC000191813097 496899048 /nfs/dbraw/zinc/89/90/48/496899048.db2.gz SQRZFBOITXFERO-DYVFJYSZSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C#N)ccc2Br)[C@H](C)C1 ZINC000191813097 496899050 /nfs/dbraw/zinc/89/90/50/496899050.db2.gz SQRZFBOITXFERO-DYVFJYSZSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2Br)[C@H](C)C1 ZINC000191813097 496899051 /nfs/dbraw/zinc/89/90/51/496899051.db2.gz SQRZFBOITXFERO-DYVFJYSZSA-N 2 2 350.304 3.483 20 30 FGEDLP COc1cnccc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000188784844 496908087 /nfs/dbraw/zinc/90/80/87/496908087.db2.gz QHLYHEHHUHPNSY-INIZCTEOSA-N 2 2 350.466 3.277 20 30 FGEDLP C=C[C@@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000248134422 496960218 /nfs/dbraw/zinc/96/02/18/496960218.db2.gz XDDRLWMEPUMVCU-WTBLGDFPSA-N 2 2 367.537 3.116 20 30 FGEDLP C=C[C@@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000248134422 496960221 /nfs/dbraw/zinc/96/02/21/496960221.db2.gz XDDRLWMEPUMVCU-WTBLGDFPSA-N 2 2 367.537 3.116 20 30 FGEDLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000245417245 497395739 /nfs/dbraw/zinc/39/57/39/497395739.db2.gz FVYJAFRFCLQGOA-QZTJIDSGSA-N 2 2 374.504 3.125 20 30 FGEDLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000245417245 497395741 /nfs/dbraw/zinc/39/57/41/497395741.db2.gz FVYJAFRFCLQGOA-QZTJIDSGSA-N 2 2 374.504 3.125 20 30 FGEDLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000245417245 497395746 /nfs/dbraw/zinc/39/57/46/497395746.db2.gz FVYJAFRFCLQGOA-QZTJIDSGSA-N 2 2 374.504 3.125 20 30 FGEDLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000245417245 497395747 /nfs/dbraw/zinc/39/57/47/497395747.db2.gz FVYJAFRFCLQGOA-QZTJIDSGSA-N 2 2 374.504 3.125 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245449086 497413231 /nfs/dbraw/zinc/41/32/31/497413231.db2.gz NJKMHXZMIDAVKL-WMLDXEAASA-N 2 2 362.905 3.345 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245449086 497413236 /nfs/dbraw/zinc/41/32/36/497413236.db2.gz NJKMHXZMIDAVKL-WMLDXEAASA-N 2 2 362.905 3.345 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245449086 497413239 /nfs/dbraw/zinc/41/32/39/497413239.db2.gz NJKMHXZMIDAVKL-WMLDXEAASA-N 2 2 362.905 3.345 20 30 FGEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245449086 497413243 /nfs/dbraw/zinc/41/32/43/497413243.db2.gz NJKMHXZMIDAVKL-WMLDXEAASA-N 2 2 362.905 3.345 20 30 FGEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000245543413 497448286 /nfs/dbraw/zinc/44/82/86/497448286.db2.gz KQXCIIKUKKXQTI-GUYCJALGSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000245543413 497448287 /nfs/dbraw/zinc/44/82/87/497448287.db2.gz KQXCIIKUKKXQTI-GUYCJALGSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000245543413 497448289 /nfs/dbraw/zinc/44/82/89/497448289.db2.gz KQXCIIKUKKXQTI-GUYCJALGSA-N 2 2 350.304 3.483 20 30 FGEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2Br)[C@@H](C)C1 ZINC000245543413 497448292 /nfs/dbraw/zinc/44/82/92/497448292.db2.gz KQXCIIKUKKXQTI-GUYCJALGSA-N 2 2 350.304 3.483 20 30 FGEDLP Cc1cc(N2CCC([N@H+](C)CCCSCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000364393896 497936219 /nfs/dbraw/zinc/93/62/19/497936219.db2.gz UXQDGRMPNVQCMG-UHFFFAOYSA-N 2 2 361.559 3.456 20 30 FGEDLP Cc1cc(N2CCC([N@@H+](C)CCCSCC#N)CC2)nc(C(C)C)[nH+]1 ZINC000364393896 497936225 /nfs/dbraw/zinc/93/62/25/497936225.db2.gz UXQDGRMPNVQCMG-UHFFFAOYSA-N 2 2 361.559 3.456 20 30 FGEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)[C@H](C)C2)s1 ZINC000365323286 498405453 /nfs/dbraw/zinc/40/54/53/498405453.db2.gz KWLNBDUTTARQBE-BFUOFWGJSA-N 2 2 358.486 3.463 20 30 FGEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)[C@H](C)C2)s1 ZINC000365323286 498405457 /nfs/dbraw/zinc/40/54/57/498405457.db2.gz KWLNBDUTTARQBE-BFUOFWGJSA-N 2 2 358.486 3.463 20 30 FGEDLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@@H]3CCCn4cc[nH+]c43)C2)CC1 ZINC000328618450 498877023 /nfs/dbraw/zinc/87/70/23/498877023.db2.gz VDJIRBHXJHMZFA-OALUTQOASA-N 2 2 373.545 3.118 20 30 FGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@H]1C ZINC000329438357 499121643 /nfs/dbraw/zinc/12/16/43/499121643.db2.gz APWWJQIWNZUPME-IAGOWNOFSA-N 2 2 372.513 3.206 20 30 FGEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@H]1C ZINC000329438357 499121645 /nfs/dbraw/zinc/12/16/45/499121645.db2.gz APWWJQIWNZUPME-IAGOWNOFSA-N 2 2 372.513 3.206 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@H]1C ZINC000329438357 499121648 /nfs/dbraw/zinc/12/16/48/499121648.db2.gz APWWJQIWNZUPME-IAGOWNOFSA-N 2 2 372.513 3.206 20 30 FGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2N2CCCC2=O)C[C@H]1C ZINC000329438357 499121651 /nfs/dbraw/zinc/12/16/51/499121651.db2.gz APWWJQIWNZUPME-IAGOWNOFSA-N 2 2 372.513 3.206 20 30 FGEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000372090884 499398217 /nfs/dbraw/zinc/39/82/17/499398217.db2.gz SHPNUSXAHTUFKX-MOPGFXCFSA-N 2 2 366.465 3.257 20 30 FGEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000372090884 499398219 /nfs/dbraw/zinc/39/82/19/499398219.db2.gz SHPNUSXAHTUFKX-MOPGFXCFSA-N 2 2 366.465 3.257 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000377715535 499724164 /nfs/dbraw/zinc/72/41/64/499724164.db2.gz CWENRKYFCRQRQP-SFHVURJKSA-N 2 2 365.481 3.371 20 30 FGEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000377715535 499724166 /nfs/dbraw/zinc/72/41/66/499724166.db2.gz CWENRKYFCRQRQP-SFHVURJKSA-N 2 2 365.481 3.371 20 30 FGEDLP C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH2+]C(C)(C)C[NH+](C)C)sc2C1 ZINC000411816335 499793910 /nfs/dbraw/zinc/79/39/10/499793910.db2.gz LGNPMPLCENHTMN-ZDUSSCGKSA-N 2 2 362.543 3.003 20 30 FGEDLP C=CCOc1ccc(C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000415139976 499869657 /nfs/dbraw/zinc/86/96/57/499869657.db2.gz YKAYGPOJWKGBKI-UHFFFAOYSA-N 3 2 365.521 3.335 20 30 FGEDLP C=CCOc1ccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000428432392 500509540 /nfs/dbraw/zinc/50/95/40/500509540.db2.gz YNWSNPCGQJAIJQ-QHCPKHFHSA-N 2 2 366.505 3.320 20 30 FGEDLP C=CCOc1ccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000428432392 500509544 /nfs/dbraw/zinc/50/95/44/500509544.db2.gz YNWSNPCGQJAIJQ-QHCPKHFHSA-N 2 2 366.505 3.320 20 30 FGEDLP C=CCOc1ccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000428432392 500509546 /nfs/dbraw/zinc/50/95/46/500509546.db2.gz YNWSNPCGQJAIJQ-QHCPKHFHSA-N 2 2 366.505 3.320 20 30 FGEDLP C=CCOc1ccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000428432392 500509550 /nfs/dbraw/zinc/50/95/50/500509550.db2.gz YNWSNPCGQJAIJQ-QHCPKHFHSA-N 2 2 366.505 3.320 20 30 FGEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1(O)CCCC1 ZINC000449742469 501073179 /nfs/dbraw/zinc/07/31/79/501073179.db2.gz ZVKRYVJYEILHAP-UHFFFAOYSA-N 2 2 355.526 3.444 20 30 FGEDLP Cc1c(C#N)c(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)nc2ccccc12 ZINC000450415591 501116176 /nfs/dbraw/zinc/11/61/76/501116176.db2.gz CQQHAGMQHBFHPJ-MRXNPFEDSA-N 2 2 363.509 3.020 20 30 FGEDLP Cc1c(C#N)c(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)nc2ccccc12 ZINC000450415591 501116178 /nfs/dbraw/zinc/11/61/78/501116178.db2.gz CQQHAGMQHBFHPJ-MRXNPFEDSA-N 2 2 363.509 3.020 20 30 FGEDLP N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000459420077 501650948 /nfs/dbraw/zinc/65/09/48/501650948.db2.gz XPFHLCPHQJGTDN-UHFFFAOYSA-N 2 2 353.426 3.355 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481176824 502774100 /nfs/dbraw/zinc/77/41/00/502774100.db2.gz SPFWXHAYLLQFRB-ZJOUEHCJSA-N 2 2 355.526 3.076 20 30 FGEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481176824 502774104 /nfs/dbraw/zinc/77/41/04/502774104.db2.gz SPFWXHAYLLQFRB-ZJOUEHCJSA-N 2 2 355.526 3.076 20 30 FGEDLP C=CC[N@@H+](C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000494700823 503595380 /nfs/dbraw/zinc/59/53/80/503595380.db2.gz XMKAXZQTHWADPZ-UHFFFAOYSA-N 2 2 363.505 3.038 20 30 FGEDLP C=CC[N@H+](C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000494700823 503595382 /nfs/dbraw/zinc/59/53/82/503595382.db2.gz XMKAXZQTHWADPZ-UHFFFAOYSA-N 2 2 363.505 3.038 20 30 FGEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc4cc(C#N)ccc4n3)CC2)CC1 ZINC000536766430 503717157 /nfs/dbraw/zinc/71/71/57/503717157.db2.gz HJFFGVOOMMNDGA-UHFFFAOYSA-N 2 2 363.509 3.101 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000533295903 503795406 /nfs/dbraw/zinc/79/54/06/503795406.db2.gz NDKHOHANLKFGBS-SJORKVTESA-N 2 2 374.554 3.150 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000533295903 503795410 /nfs/dbraw/zinc/79/54/10/503795410.db2.gz NDKHOHANLKFGBS-SJORKVTESA-N 2 2 374.554 3.150 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000533295903 503795415 /nfs/dbraw/zinc/79/54/15/503795415.db2.gz NDKHOHANLKFGBS-SJORKVTESA-N 2 2 374.554 3.150 20 30 FGEDLP C[C@H](C#N)CSc1ccccc1NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000533295903 503795417 /nfs/dbraw/zinc/79/54/17/503795417.db2.gz NDKHOHANLKFGBS-SJORKVTESA-N 2 2 374.554 3.150 20 30 FGEDLP N#Cc1ccc2[nH+]cc(C[NH+]3CCC4(CC3)OCCc3ccsc34)n2c1 ZINC000543703574 503859516 /nfs/dbraw/zinc/85/95/16/503859516.db2.gz DTVLDTOAPDNTBM-UHFFFAOYSA-N 2 2 364.474 3.331 20 30 FGEDLP C=CCOc1ccc(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cc1 ZINC000557799868 505233957 /nfs/dbraw/zinc/23/39/57/505233957.db2.gz KLSHTEQFQJSMMO-IBGZPJMESA-N 2 2 365.477 3.369 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](C3CC3)C3CCOCC3)CC2)cc1 ZINC000593668691 506720588 /nfs/dbraw/zinc/72/05/88/506720588.db2.gz PVWATRMPTDPKLB-QFIPXVFZSA-N 2 2 353.510 3.317 20 30 FGEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1O ZINC000593687201 506731356 /nfs/dbraw/zinc/73/13/56/506731356.db2.gz FZTJYAKMEZCVMQ-UHFFFAOYSA-N 2 2 351.450 3.027 20 30 FGEDLP CC(C)[C@@H](Cn1cccn1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593726365 506750199 /nfs/dbraw/zinc/75/01/99/506750199.db2.gz YZFCOGRHKJAWPS-OAQYLSRUSA-N 2 2 351.498 3.034 20 30 FGEDLP CC(C)[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000590602301 506875245 /nfs/dbraw/zinc/87/52/45/506875245.db2.gz HJECUNCOSIEUBQ-QFIPXVFZSA-N 2 2 369.484 3.401 20 30 FGEDLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000590602301 506875250 /nfs/dbraw/zinc/87/52/50/506875250.db2.gz HJECUNCOSIEUBQ-QFIPXVFZSA-N 2 2 369.484 3.401 20 30 FGEDLP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000590602301 506875255 /nfs/dbraw/zinc/87/52/55/506875255.db2.gz HJECUNCOSIEUBQ-QFIPXVFZSA-N 2 2 369.484 3.401 20 30 FGEDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000590602301 506875262 /nfs/dbraw/zinc/87/52/62/506875262.db2.gz HJECUNCOSIEUBQ-QFIPXVFZSA-N 2 2 369.484 3.401 20 30 FGEDLP C=C1CC[NH+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000584365742 507306048 /nfs/dbraw/zinc/30/60/48/507306048.db2.gz IDHNRKPZQYJUSK-IBGZPJMESA-N 2 2 361.917 3.245 20 30 FGEDLP COc1nc(C)cc(C)c1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611438306 507682107 /nfs/dbraw/zinc/68/21/07/507682107.db2.gz ORVSXZLRABXHJW-UHFFFAOYSA-N 2 2 364.493 3.333 20 30 FGEDLP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(Br)c1 ZINC000611500611 507708848 /nfs/dbraw/zinc/70/88/48/507708848.db2.gz CRNGQQHZBMPDGF-UHFFFAOYSA-N 2 2 357.255 3.038 20 30 FGEDLP