smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCCCCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001474605020 937869963 /nfs/dbraw/zinc/86/99/63/937869963.db2.gz QXDQMDFANYWOOW-SJORKVTESA-N 2 2 262.441 3.177 20 30 CGEDLP C#CCCCCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001474605020 937869964 /nfs/dbraw/zinc/86/99/64/937869964.db2.gz QXDQMDFANYWOOW-SJORKVTESA-N 2 2 262.441 3.177 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCCC[C@H]2C)CC1 ZINC000651700867 398271252 /nfs/dbraw/zinc/27/12/52/398271252.db2.gz XHPQIXJNSCOWLE-ZBFHGGJFSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@]2(C)CC)CC1 ZINC000651700577 398271416 /nfs/dbraw/zinc/27/14/16/398271416.db2.gz LDIXBXHJHWYACN-HZPDHXFCSA-N 2 2 250.430 3.195 20 30 CGEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000591577801 346929803 /nfs/dbraw/zinc/92/98/03/346929803.db2.gz HQFLJVKQONQJLC-WMZOPIPTSA-N 2 2 283.419 3.057 20 30 CGEDLP CC1(C#N)CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000594518654 347187216 /nfs/dbraw/zinc/18/72/16/347187216.db2.gz IRNBADZXSGNGBO-YZUHTNEWSA-N 2 2 275.440 3.065 20 30 CGEDLP CC1(C#N)CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000594518654 347187218 /nfs/dbraw/zinc/18/72/18/347187218.db2.gz IRNBADZXSGNGBO-YZUHTNEWSA-N 2 2 275.440 3.065 20 30 CGEDLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000595890088 347370783 /nfs/dbraw/zinc/37/07/83/347370783.db2.gz BIESHQFSVQYEDC-CYBMUJFWSA-N 2 2 299.340 3.040 20 30 CGEDLP CC[C@@H](C[NH2+]C[C@H](C)CCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000602511506 347972652 /nfs/dbraw/zinc/97/26/52/347972652.db2.gz NNILRNAMXDTTGA-APWZRJJASA-N 2 2 299.462 3.353 20 30 CGEDLP CC[C@@H](C[NH2+]C[C@H](C)CCC#N)[N@H+]1CCc2ccccc2C1 ZINC000602511506 347972654 /nfs/dbraw/zinc/97/26/54/347972654.db2.gz NNILRNAMXDTTGA-APWZRJJASA-N 2 2 299.462 3.353 20 30 CGEDLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000602738318 348021616 /nfs/dbraw/zinc/02/16/16/348021616.db2.gz HMEHGRQRLGRXAN-UHFFFAOYSA-N 2 2 289.398 3.004 20 30 CGEDLP N#CC1CCC([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602558887 347981651 /nfs/dbraw/zinc/98/16/51/347981651.db2.gz GDXPSASQSJIQNM-KVZIAJEVSA-N 2 2 297.446 3.323 20 30 CGEDLP N#CC1CCC([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602558887 347981653 /nfs/dbraw/zinc/98/16/53/347981653.db2.gz GDXPSASQSJIQNM-KVZIAJEVSA-N 2 2 297.446 3.323 20 30 CGEDLP C=C(Cl)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000163369946 188605830 /nfs/dbraw/zinc/60/58/30/188605830.db2.gz UQVNWRYUKMXRAH-UHFFFAOYSA-N 2 2 278.827 3.036 20 30 CGEDLP C[C@@H](CC[NH2+]Cc1ccc(C#N)o1)[N@H+](C)Cc1ccccc1 ZINC000177562306 189057112 /nfs/dbraw/zinc/05/71/12/189057112.db2.gz POPJMNGQAXKJRB-HNNXBMFYSA-N 2 2 297.402 3.151 20 30 CGEDLP C[C@@H](CC[NH2+]Cc1ccc(C#N)o1)[N@@H+](C)Cc1ccccc1 ZINC000177562306 189057113 /nfs/dbraw/zinc/05/71/13/189057113.db2.gz POPJMNGQAXKJRB-HNNXBMFYSA-N 2 2 297.402 3.151 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000177907028 189078695 /nfs/dbraw/zinc/07/86/95/189078695.db2.gz QPUVYVZCFAKTCP-CYBMUJFWSA-N 2 2 292.398 3.135 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2csc(C3CC3)n2)CC1 ZINC000113338741 370471788 /nfs/dbraw/zinc/47/17/88/370471788.db2.gz QANWRZDDTNPVLC-UHFFFAOYSA-N 2 2 291.464 3.151 20 30 CGEDLP Cc1ccc([C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)[NH+]2CCCC2)cc1 ZINC000442789951 373082536 /nfs/dbraw/zinc/08/25/36/373082536.db2.gz FOCMBUJUPFEOLQ-NEWSRXKRSA-N 2 2 297.446 3.414 20 30 CGEDLP C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000449079765 373662062 /nfs/dbraw/zinc/66/20/62/373662062.db2.gz PVBWTITZOQARHJ-NJINODPHSA-N 2 2 277.456 3.311 20 30 CGEDLP C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@H+]1CCCC[C@@H]1C ZINC000449079765 373662065 /nfs/dbraw/zinc/66/20/65/373662065.db2.gz PVBWTITZOQARHJ-NJINODPHSA-N 2 2 277.456 3.311 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C)cc2OC)CC1 ZINC000449127551 373664130 /nfs/dbraw/zinc/66/41/30/373664130.db2.gz XEIITXRCFNIRCF-UHFFFAOYSA-N 2 2 288.435 3.134 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000482633117 375171441 /nfs/dbraw/zinc/17/14/41/375171441.db2.gz QXOJKYXEPIQLSK-UHFFFAOYSA-N 2 2 274.452 3.051 20 30 CGEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000336858418 376014414 /nfs/dbraw/zinc/01/44/14/376014414.db2.gz YUNUIJSBIRATQL-QRVBRYPASA-N 2 2 297.446 3.242 20 30 CGEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000336858418 376014417 /nfs/dbraw/zinc/01/44/17/376014417.db2.gz YUNUIJSBIRATQL-QRVBRYPASA-N 2 2 297.446 3.242 20 30 CGEDLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000336858418 376014424 /nfs/dbraw/zinc/01/44/24/376014424.db2.gz YUNUIJSBIRATQL-QRVBRYPASA-N 2 2 297.446 3.242 20 30 CGEDLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000336858418 376014428 /nfs/dbraw/zinc/01/44/28/376014428.db2.gz YUNUIJSBIRATQL-QRVBRYPASA-N 2 2 297.446 3.242 20 30 CGEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000565155283 377483334 /nfs/dbraw/zinc/48/33/34/377483334.db2.gz DABOPCQFCUSQPG-HNNXBMFYSA-N 2 2 286.423 3.074 20 30 CGEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000565155283 377483343 /nfs/dbraw/zinc/48/33/43/377483343.db2.gz DABOPCQFCUSQPG-HNNXBMFYSA-N 2 2 286.423 3.074 20 30 CGEDLP C[C@@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000342756727 377774945 /nfs/dbraw/zinc/77/49/45/377774945.db2.gz VHQOTHIHPGTEQO-QAPCUYQASA-N 2 2 294.402 3.032 20 30 CGEDLP C[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000342756727 377774955 /nfs/dbraw/zinc/77/49/55/377774955.db2.gz VHQOTHIHPGTEQO-QAPCUYQASA-N 2 2 294.402 3.032 20 30 CGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC1(C#N)CC1 ZINC000346545715 378613446 /nfs/dbraw/zinc/61/34/46/378613446.db2.gz ZFMMLDQSTWHRAM-VQFNDLOPSA-N 2 2 297.446 3.036 20 30 CGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC1(C#N)CC1 ZINC000346545715 378613450 /nfs/dbraw/zinc/61/34/50/378613450.db2.gz ZFMMLDQSTWHRAM-VQFNDLOPSA-N 2 2 297.446 3.036 20 30 CGEDLP C=CCC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000375517797 379499689 /nfs/dbraw/zinc/49/96/89/379499689.db2.gz ALEFRLNCBHELQB-KRWDZBQOSA-N 2 2 285.435 3.385 20 30 CGEDLP N#CC1(CC[NH+]2CCC(n3cc[nH+]c3)CC2)CCCCC1 ZINC000411312663 380138496 /nfs/dbraw/zinc/13/84/96/380138496.db2.gz VIYKBRVNBJLOHX-UHFFFAOYSA-N 2 2 286.423 3.384 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414110626 380191425 /nfs/dbraw/zinc/19/14/25/380191425.db2.gz IHAPKLSCDZHUHG-CVEARBPZSA-N 2 2 294.483 3.209 20 30 CGEDLP C=C(CC)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000097208068 392262232 /nfs/dbraw/zinc/26/22/32/392262232.db2.gz WKEZDRVDCCEKCK-KRWDZBQOSA-N 2 2 258.409 3.207 20 30 CGEDLP C=C(CC)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000097208068 392262236 /nfs/dbraw/zinc/26/22/36/392262236.db2.gz WKEZDRVDCCEKCK-KRWDZBQOSA-N 2 2 258.409 3.207 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]CC(C)(C)CCC#N ZINC000135134036 392472724 /nfs/dbraw/zinc/47/27/24/392472724.db2.gz JXNNLZNWAQKWRA-UHFFFAOYSA-N 2 2 284.407 3.264 20 30 CGEDLP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000186309314 392781966 /nfs/dbraw/zinc/78/19/66/392781966.db2.gz KOHSJNJWRUVOQN-RDTXWAMCSA-N 2 2 294.402 3.146 20 30 CGEDLP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000186309314 392781968 /nfs/dbraw/zinc/78/19/68/392781968.db2.gz KOHSJNJWRUVOQN-RDTXWAMCSA-N 2 2 294.402 3.146 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCO[C@H](CC)C1)C(C)C ZINC000648417391 393007798 /nfs/dbraw/zinc/00/77/98/393007798.db2.gz DECMQSZKYYZCJU-KZNAEPCWSA-N 2 2 294.483 3.232 20 30 CGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000349377550 393146601 /nfs/dbraw/zinc/14/66/01/393146601.db2.gz JKZJCILCUIJNQO-LMSBXDPUSA-N 2 2 283.419 3.104 20 30 CGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000349377550 393146608 /nfs/dbraw/zinc/14/66/08/393146608.db2.gz JKZJCILCUIJNQO-LMSBXDPUSA-N 2 2 283.419 3.104 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417311476 393347673 /nfs/dbraw/zinc/34/76/73/393347673.db2.gz MAFCMHZGPBKNTA-VNQPRFMTSA-N 2 2 290.476 3.480 20 30 CGEDLP C=CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)[C@@H](C)COC ZINC000661240130 419243261 /nfs/dbraw/zinc/24/32/61/419243261.db2.gz MBLGVXWXDYQHPJ-INIZCTEOSA-N 2 2 299.418 3.204 20 30 CGEDLP C=CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)[C@@H](C)COC ZINC000661240130 419243264 /nfs/dbraw/zinc/24/32/64/419243264.db2.gz MBLGVXWXDYQHPJ-INIZCTEOSA-N 2 2 299.418 3.204 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000657561525 419304294 /nfs/dbraw/zinc/30/42/94/419304294.db2.gz BBJHDRXECOVDHD-ILXRZTDVSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000657561525 419304295 /nfs/dbraw/zinc/30/42/95/419304295.db2.gz BBJHDRXECOVDHD-ILXRZTDVSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000657901861 419427633 /nfs/dbraw/zinc/42/76/33/419427633.db2.gz HAOFHNKLPLGBIQ-IVSAIRAKSA-N 2 2 262.441 3.336 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000657901861 419427644 /nfs/dbraw/zinc/42/76/44/419427644.db2.gz HAOFHNKLPLGBIQ-IVSAIRAKSA-N 2 2 262.441 3.336 20 30 CGEDLP C=C(C)C[NH+]1CCC(Nc2[nH+]ccc3c(N)cccc32)CC1 ZINC000663568344 419650608 /nfs/dbraw/zinc/65/06/08/419650608.db2.gz TZTYUXJXDGEUPF-UHFFFAOYSA-N 2 2 296.418 3.269 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc3ccoc32)CC1 ZINC000449127795 260233664 /nfs/dbraw/zinc/23/36/64/260233664.db2.gz XPSGJKQZMILTJK-UHFFFAOYSA-N 2 2 270.376 3.173 20 30 CGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340441819 263150307 /nfs/dbraw/zinc/15/03/07/263150307.db2.gz DPGFBXQSPUEOLD-MNEFBYGVSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340441819 263150309 /nfs/dbraw/zinc/15/03/09/263150309.db2.gz DPGFBXQSPUEOLD-MNEFBYGVSA-N 2 2 297.446 3.494 20 30 CGEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1Cl ZINC000415039943 263257368 /nfs/dbraw/zinc/25/73/68/263257368.db2.gz NODKBJOXQFAMNC-OAHLLOKOSA-N 2 2 294.826 3.135 20 30 CGEDLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(C#N)CCC1 ZINC000418141114 267362254 /nfs/dbraw/zinc/36/22/54/267362254.db2.gz KQQBPJBUGYGERM-UHFFFAOYSA-N 2 2 299.462 3.428 20 30 CGEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(C#N)CCC1 ZINC000418141114 267362257 /nfs/dbraw/zinc/36/22/57/267362257.db2.gz KQQBPJBUGYGERM-UHFFFAOYSA-N 2 2 299.462 3.428 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000418140803 267362683 /nfs/dbraw/zinc/36/26/83/267362683.db2.gz KFBJPQPEAAPASU-SJLPKXTDSA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000418140803 267362685 /nfs/dbraw/zinc/36/26/85/267362685.db2.gz KFBJPQPEAAPASU-SJLPKXTDSA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[N@@H+]1C1CC1 ZINC000341710013 274393629 /nfs/dbraw/zinc/39/36/29/274393629.db2.gz TVIFCXCMAYDLBK-VVFCZOMOSA-N 2 2 295.430 3.150 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[N@H+]1C1CC1 ZINC000341710013 274393630 /nfs/dbraw/zinc/39/36/30/274393630.db2.gz TVIFCXCMAYDLBK-VVFCZOMOSA-N 2 2 295.430 3.150 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000449180306 327112618 /nfs/dbraw/zinc/11/26/18/327112618.db2.gz ZPWVSAQWHHLFSO-LSDHHAIUSA-N 2 2 270.486 3.148 20 30 CGEDLP C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163320444 331020283 /nfs/dbraw/zinc/02/02/83/331020283.db2.gz YRZKSVHZSZTJPE-KBPBESRZSA-N 2 2 255.365 3.488 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCC(C)C)C2CC2)CC1 ZINC000549627336 334200300 /nfs/dbraw/zinc/20/03/00/334200300.db2.gz ZLZGMKSGCIHJQJ-KRWDZBQOSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000193132227 526454502 /nfs/dbraw/zinc/45/45/02/526454502.db2.gz IPBADEACSDVZSD-ZFWWWQNUSA-N 2 2 250.430 3.051 20 30 CGEDLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(C#N)c1 ZINC000902747944 621424671 /nfs/dbraw/zinc/42/46/71/621424671.db2.gz JHMTUXRVZYAIEE-BZSNNMDCSA-N 2 2 283.419 3.226 20 30 CGEDLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(C#N)c1 ZINC000902747944 621424674 /nfs/dbraw/zinc/42/46/74/621424674.db2.gz JHMTUXRVZYAIEE-BZSNNMDCSA-N 2 2 283.419 3.226 20 30 CGEDLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000903047551 621555208 /nfs/dbraw/zinc/55/52/08/621555208.db2.gz PQTVFYJLHNUMLW-IRXDYDNUSA-N 2 2 285.435 3.472 20 30 CGEDLP CC[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000903047551 621555209 /nfs/dbraw/zinc/55/52/09/621555209.db2.gz PQTVFYJLHNUMLW-IRXDYDNUSA-N 2 2 285.435 3.472 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCCSC1)C(C)C ZINC000769006072 627515936 /nfs/dbraw/zinc/51/59/36/627515936.db2.gz YMVPCAZBFDILMW-JKSUJKDBSA-N 2 2 282.497 3.170 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841756875 635229985 /nfs/dbraw/zinc/22/99/85/635229985.db2.gz AVTBVOZXEZBRGY-LBPRGKRZSA-N 2 2 294.826 3.347 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001252132300 806017660 /nfs/dbraw/zinc/01/76/60/806017660.db2.gz FBWDZAQGBSEGCZ-BZSNNMDCSA-N 2 2 296.499 3.124 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001252132300 806017666 /nfs/dbraw/zinc/01/76/66/806017666.db2.gz FBWDZAQGBSEGCZ-BZSNNMDCSA-N 2 2 296.499 3.124 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001252132300 806017674 /nfs/dbraw/zinc/01/76/74/806017674.db2.gz FBWDZAQGBSEGCZ-BZSNNMDCSA-N 2 2 296.499 3.124 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001252132300 806017683 /nfs/dbraw/zinc/01/76/83/806017683.db2.gz FBWDZAQGBSEGCZ-BZSNNMDCSA-N 2 2 296.499 3.124 20 30 CGEDLP CCCc1cc[nH+]c(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001159409369 806096668 /nfs/dbraw/zinc/09/66/68/806096668.db2.gz SXTXUHCLFJQRGO-UHFFFAOYSA-N 2 2 292.386 3.336 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255130210 806550731 /nfs/dbraw/zinc/55/07/31/806550731.db2.gz RZNDTNBTNLKFRV-AKHDSKFASA-N 2 2 297.446 3.464 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130210 806550737 /nfs/dbraw/zinc/55/07/37/806550737.db2.gz RZNDTNBTNLKFRV-AKHDSKFASA-N 2 2 297.446 3.464 20 30 CGEDLP C=CCCCCCC[C@H](O)C[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001245971586 804092167 /nfs/dbraw/zinc/09/21/67/804092167.db2.gz BBFOXZQOHQPNER-ZWKOTPCHSA-N 2 2 290.451 3.164 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246028127 804100557 /nfs/dbraw/zinc/10/05/57/804100557.db2.gz ZMKKSHRGFPXCGQ-MSOLQXFVSA-N 2 2 294.483 3.092 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246028127 804100563 /nfs/dbraw/zinc/10/05/63/804100563.db2.gz ZMKKSHRGFPXCGQ-MSOLQXFVSA-N 2 2 294.483 3.092 20 30 CGEDLP CCCCCCCC[C@H](CCC)[NH2+]CC[NH2+]CCO ZINC001246380488 804314578 /nfs/dbraw/zinc/31/45/78/804314578.db2.gz WIXRWQZJJBRDGC-INIZCTEOSA-N 2 2 272.477 3.077 20 30 CGEDLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001140027854 804356820 /nfs/dbraw/zinc/35/68/20/804356820.db2.gz DPRLZWZHGQJRQE-MRXNPFEDSA-N 2 2 294.402 3.306 20 30 CGEDLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001140027854 804356829 /nfs/dbraw/zinc/35/68/29/804356829.db2.gz DPRLZWZHGQJRQE-MRXNPFEDSA-N 2 2 294.402 3.306 20 30 CGEDLP C[C@H]1CC([NH+]2CC(CC#N)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168041276 807301848 /nfs/dbraw/zinc/30/18/48/807301848.db2.gz RKUMPFNQWJDWJK-HOTGVXAUSA-N 2 2 297.446 3.273 20 30 CGEDLP C=CCC[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001258720006 807569077 /nfs/dbraw/zinc/56/90/77/807569077.db2.gz OOFSBZYSGASUBX-RISCZKNCSA-N 2 2 297.240 3.393 20 30 CGEDLP C[C@H](CCCC#N)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001172478933 808343873 /nfs/dbraw/zinc/34/38/73/808343873.db2.gz IXQKWTJLRHJKOS-AEFFLSMTSA-N 2 2 285.435 3.495 20 30 CGEDLP Cc1[nH+]cn(C2CCC(C)(C#N)CC2)c1CSCC[NH3+] ZINC001173588899 808647684 /nfs/dbraw/zinc/64/76/84/808647684.db2.gz MSXBKCXHJQVXDI-UHFFFAOYSA-N 2 2 292.452 3.028 20 30 CGEDLP CC#CCC[NH2+][C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001180469229 810003721 /nfs/dbraw/zinc/00/37/21/810003721.db2.gz HXQCLIUQEMCRRJ-FUHWJXTLSA-N 2 2 270.420 3.043 20 30 CGEDLP CC#CCC[NH2+][C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001180469229 810003728 /nfs/dbraw/zinc/00/37/28/810003728.db2.gz HXQCLIUQEMCRRJ-FUHWJXTLSA-N 2 2 270.420 3.043 20 30 CGEDLP C#Cc1cc(Nc2ccc(C[NH+](CC)CC)cc2)cc[nH+]1 ZINC001209821167 814154000 /nfs/dbraw/zinc/15/40/00/814154000.db2.gz JNXIEQMODOGEIE-UHFFFAOYSA-N 2 2 279.387 3.070 20 30 CGEDLP C=C(C)COc1ccccc1C[N@@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217379 819382937 /nfs/dbraw/zinc/38/29/37/819382937.db2.gz ORXMGSOSQUVAAX-IRXDYDNUSA-N 2 2 288.435 3.343 20 30 CGEDLP C=C(C)COc1ccccc1C[N@H+](C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236217379 819382942 /nfs/dbraw/zinc/38/29/42/819382942.db2.gz ORXMGSOSQUVAAX-IRXDYDNUSA-N 2 2 288.435 3.343 20 30 CGEDLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccccc1C#Cc1ccccc1 ZINC001236246528 819404089 /nfs/dbraw/zinc/40/40/89/819404089.db2.gz GFTMHFRDUZHSSO-HXUWFJFHSA-N 2 2 290.410 3.010 20 30 CGEDLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccccc1C#Cc1ccccc1 ZINC001236246528 819404093 /nfs/dbraw/zinc/40/40/93/819404093.db2.gz GFTMHFRDUZHSSO-HXUWFJFHSA-N 2 2 290.410 3.010 20 30 CGEDLP Cc1cc(C#N)ccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242474278 823004772 /nfs/dbraw/zinc/00/47/72/823004772.db2.gz KMNDGKDAMQQKSX-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1cc(C#N)ccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242474278 823004775 /nfs/dbraw/zinc/00/47/75/823004775.db2.gz KMNDGKDAMQQKSX-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2cccc(CC)c2o1 ZINC001461540234 937584790 /nfs/dbraw/zinc/58/47/90/937584790.db2.gz PGDGUJLLKIRLBC-UHFFFAOYSA-N 2 2 284.403 3.040 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc2cccc(CC)c2o1 ZINC001461540234 937584792 /nfs/dbraw/zinc/58/47/92/937584792.db2.gz PGDGUJLLKIRLBC-UHFFFAOYSA-N 2 2 284.403 3.040 20 30 CGEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC001560264447 938250341 /nfs/dbraw/zinc/25/03/41/938250341.db2.gz XIXXOBDVMCHUHR-JKSUJKDBSA-N 2 2 250.430 3.197 20 30 CGEDLP C=CC[N@@H+](CCc1c[nH+]cn1C)CC1CCCCC1 ZINC000297652412 260131421 /nfs/dbraw/zinc/13/14/21/260131421.db2.gz IZZJKJBVFPSQAF-UHFFFAOYSA-N 2 2 261.413 3.031 20 30 CGEDLP C=CC[N@H+](CCc1c[nH+]cn1C)CC1CCCCC1 ZINC000297652412 260131423 /nfs/dbraw/zinc/13/14/23/260131423.db2.gz IZZJKJBVFPSQAF-UHFFFAOYSA-N 2 2 261.413 3.031 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000623729137 349872087 /nfs/dbraw/zinc/87/20/87/349872087.db2.gz QFQUNJWXEGUXSG-HLLBOEOZSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000623729137 349872091 /nfs/dbraw/zinc/87/20/91/349872091.db2.gz QFQUNJWXEGUXSG-HLLBOEOZSA-N 2 2 262.441 3.338 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(F)c2F)CC1 ZINC000107713140 345935445 /nfs/dbraw/zinc/93/54/45/345935445.db2.gz PXSFPUSMEFUHOL-UHFFFAOYSA-N 2 2 280.362 3.095 20 30 CGEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC1 ZINC000593723505 347108422 /nfs/dbraw/zinc/10/84/22/347108422.db2.gz WTKCEVBVOXYCSC-IBGZPJMESA-N 2 2 297.446 3.301 20 30 CGEDLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(F)c1C#N ZINC000601997859 347931635 /nfs/dbraw/zinc/93/16/35/347931635.db2.gz NHKXEYGFWWOGAD-AWEZNQCLSA-N 2 2 289.398 3.051 20 30 CGEDLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(F)c1C#N ZINC000601997859 347931639 /nfs/dbraw/zinc/93/16/39/347931639.db2.gz NHKXEYGFWWOGAD-AWEZNQCLSA-N 2 2 289.398 3.051 20 30 CGEDLP CCCC[NH+]1CCC([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000602009081 347932390 /nfs/dbraw/zinc/93/23/90/347932390.db2.gz UXNKFWKHJKZYCL-UHFFFAOYSA-N 2 2 289.398 3.051 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000602714260 348015666 /nfs/dbraw/zinc/01/56/66/348015666.db2.gz YAGZVHCHMYTWES-SJLPKXTDSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000602714260 348015669 /nfs/dbraw/zinc/01/56/69/348015669.db2.gz YAGZVHCHMYTWES-SJLPKXTDSA-N 2 2 285.435 3.180 20 30 CGEDLP CC1([NH+]2CCCC2)CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000602732280 348020371 /nfs/dbraw/zinc/02/03/71/348020371.db2.gz GYYOQXCHWLUANH-UHFFFAOYSA-N 2 2 289.448 3.070 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000602562678 347982969 /nfs/dbraw/zinc/98/29/69/347982969.db2.gz XWTQBSUAGFHXSU-FUHWJXTLSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000602562678 347982975 /nfs/dbraw/zinc/98/29/75/347982975.db2.gz XWTQBSUAGFHXSU-FUHWJXTLSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@@H]([NH2+]CC1(CC#N)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000602805436 348031393 /nfs/dbraw/zinc/03/13/93/348031393.db2.gz JVBKYFWLVMDPKG-CQSZACIVSA-N 2 2 280.375 3.217 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000611390594 348444539 /nfs/dbraw/zinc/44/45/39/348444539.db2.gz KBPPQOGYFXDXMA-FHWLQOOXSA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000611390594 348444542 /nfs/dbraw/zinc/44/45/42/348444542.db2.gz KBPPQOGYFXDXMA-FHWLQOOXSA-N 2 2 295.430 3.152 20 30 CGEDLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)C#N)CC2)C1 ZINC000612585409 348530680 /nfs/dbraw/zinc/53/06/80/348530680.db2.gz BDINVTYAJONSTM-HOCLYGCPSA-N 2 2 277.456 3.169 20 30 CGEDLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000619508171 349254784 /nfs/dbraw/zinc/25/47/84/349254784.db2.gz BOTWIQQWKLMDFJ-WMZOPIPTSA-N 2 2 283.419 3.010 20 30 CGEDLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000619508171 349254786 /nfs/dbraw/zinc/25/47/86/349254786.db2.gz BOTWIQQWKLMDFJ-WMZOPIPTSA-N 2 2 283.419 3.010 20 30 CGEDLP C[N@H+](CCCCC#N)C(C)(C)C[NH+]1CCCCCC1 ZINC000426729341 372169130 /nfs/dbraw/zinc/16/91/30/372169130.db2.gz BXBQZCQTEAZASQ-UHFFFAOYSA-N 2 2 265.445 3.267 20 30 CGEDLP C[N@@H+](CCCCC#N)C(C)(C)C[NH+]1CCCCCC1 ZINC000426729341 372169135 /nfs/dbraw/zinc/16/91/35/372169135.db2.gz BXBQZCQTEAZASQ-UHFFFAOYSA-N 2 2 265.445 3.267 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(C)c2F)CC1 ZINC000294918665 372678035 /nfs/dbraw/zinc/67/80/35/372678035.db2.gz CLPYYLLVRJIEGO-UHFFFAOYSA-N 2 2 276.399 3.264 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000439077796 372972175 /nfs/dbraw/zinc/97/21/75/372972175.db2.gz NTMNURSJWTWKMM-VYDXJSESSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000439077796 372972181 /nfs/dbraw/zinc/97/21/81/372972181.db2.gz NTMNURSJWTWKMM-VYDXJSESSA-N 2 2 264.457 3.441 20 30 CGEDLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc(C#N)o1 ZINC000185159347 374599337 /nfs/dbraw/zinc/59/93/37/374599337.db2.gz SHQFJBXIUIGGTQ-UHFFFAOYSA-N 2 2 289.423 3.286 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)C(C)C)CC1 ZINC000187178149 374983832 /nfs/dbraw/zinc/98/38/32/374983832.db2.gz LQVBVSYTYXKPGG-LJQANCHMSA-N 2 2 286.463 3.494 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000187663890 375065330 /nfs/dbraw/zinc/06/53/30/375065330.db2.gz OEIBBFACUZQRJI-AWEZNQCLSA-N 2 2 280.375 3.153 20 30 CGEDLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(C#N)cc1F ZINC000218035109 376183480 /nfs/dbraw/zinc/18/34/80/376183480.db2.gz YYTLXFCUTDLJIN-UHFFFAOYSA-N 2 2 291.414 3.251 20 30 CGEDLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(C#N)cc1F ZINC000218035109 376183485 /nfs/dbraw/zinc/18/34/85/376183485.db2.gz YYTLXFCUTDLJIN-UHFFFAOYSA-N 2 2 291.414 3.251 20 30 CGEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000339158126 376716781 /nfs/dbraw/zinc/71/67/81/376716781.db2.gz ZTUNMNAXFYTKPU-OAGGEKHMSA-N 2 2 298.434 3.091 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)C[C@H]2CC)CC1 ZINC000246872636 377107384 /nfs/dbraw/zinc/10/73/84/377107384.db2.gz STQBIJXCANKLEP-ZMSDIMECSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000562040528 377268507 /nfs/dbraw/zinc/26/85/07/377268507.db2.gz AAYXZZFVYMZHSA-HUUCEWRRSA-N 2 2 250.430 3.051 20 30 CGEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C#N)c2F)C[C@H]1C ZINC000340921710 377321683 /nfs/dbraw/zinc/32/16/83/377321683.db2.gz WLRRNBDZDMSZMP-CJNGLKHVSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C#N)c2F)C[C@H]1C ZINC000340921710 377321692 /nfs/dbraw/zinc/32/16/92/377321692.db2.gz WLRRNBDZDMSZMP-CJNGLKHVSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C#N)c2F)C[C@H]1C ZINC000340921710 377321697 /nfs/dbraw/zinc/32/16/97/377321697.db2.gz WLRRNBDZDMSZMP-CJNGLKHVSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2F)C[C@H]1C ZINC000340921710 377321708 /nfs/dbraw/zinc/32/17/08/377321708.db2.gz WLRRNBDZDMSZMP-CJNGLKHVSA-N 2 2 289.398 3.002 20 30 CGEDLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)c3ccc(C#N)cc3)n2c1 ZINC000343153720 377915288 /nfs/dbraw/zinc/91/52/88/377915288.db2.gz MNFKXLHSXMUAAN-CQSZACIVSA-N 2 2 290.370 3.365 20 30 CGEDLP C[NH+](C)[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000277249092 379109571 /nfs/dbraw/zinc/10/95/71/379109571.db2.gz QCUMHTPEBSJASN-QGZVFWFLSA-N 2 2 290.838 3.108 20 30 CGEDLP C[NH+](C)[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000277249092 379109578 /nfs/dbraw/zinc/10/95/78/379109578.db2.gz QCUMHTPEBSJASN-QGZVFWFLSA-N 2 2 290.838 3.108 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C)CC2)CC1 ZINC000641719072 380060587 /nfs/dbraw/zinc/06/05/87/380060587.db2.gz KYJYPKOYQWINSW-GJZGRUSLSA-N 2 2 250.430 3.195 20 30 CGEDLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(C#N)cc1 ZINC000354291032 380387842 /nfs/dbraw/zinc/38/78/42/380387842.db2.gz ZNDZEZOZPDDBCD-ZDUSSCGKSA-N 2 2 276.343 3.057 20 30 CGEDLP C=CC[N@H+](CCC[NH+]1CCCCC1)Cc1cccc(C#N)c1 ZINC000361268426 381669488 /nfs/dbraw/zinc/66/94/88/381669488.db2.gz VXIUUVJQVUYGTF-UHFFFAOYSA-N 2 2 297.446 3.422 20 30 CGEDLP C=CC[N@@H+](CCC[NH+]1CCCCC1)Cc1cccc(C#N)c1 ZINC000361268426 381669491 /nfs/dbraw/zinc/66/94/91/381669491.db2.gz VXIUUVJQVUYGTF-UHFFFAOYSA-N 2 2 297.446 3.422 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000286538450 392384267 /nfs/dbraw/zinc/38/42/67/392384267.db2.gz OAYSBHYCHHVXIM-ONEGZZNKSA-N 2 2 292.373 3.218 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000684954657 544043368 /nfs/dbraw/zinc/04/33/68/544043368.db2.gz CUQSCVLKSCGFBS-KRWDZBQOSA-N 2 2 285.435 3.089 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657874904 419399240 /nfs/dbraw/zinc/39/92/40/419399240.db2.gz CKFZRPXPCDWRRN-LBPRGKRZSA-N 2 2 295.377 3.320 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C[N@@H+]1C1CC1 ZINC000341710010 274394042 /nfs/dbraw/zinc/39/40/42/274394042.db2.gz TVIFCXCMAYDLBK-NRXGSXMXSA-N 2 2 295.430 3.150 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C[N@H+]1C1CC1 ZINC000341710010 274394044 /nfs/dbraw/zinc/39/40/44/274394044.db2.gz TVIFCXCMAYDLBK-NRXGSXMXSA-N 2 2 295.430 3.150 20 30 CGEDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360828768 277081497 /nfs/dbraw/zinc/08/14/97/277081497.db2.gz AINDDMNXSXMFDX-WMZOPIPTSA-N 2 2 283.419 3.010 20 30 CGEDLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360828768 277081498 /nfs/dbraw/zinc/08/14/98/277081498.db2.gz AINDDMNXSXMFDX-WMZOPIPTSA-N 2 2 283.419 3.010 20 30 CGEDLP C=CCCC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000571508561 328129123 /nfs/dbraw/zinc/12/91/23/328129123.db2.gz IYWFPQIAVPEBJC-RDJZCZTQSA-N 2 2 258.409 3.378 20 30 CGEDLP C=CCCC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000571508561 328129124 /nfs/dbraw/zinc/12/91/24/328129124.db2.gz IYWFPQIAVPEBJC-RDJZCZTQSA-N 2 2 258.409 3.378 20 30 CGEDLP C=C(CC)C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000313479342 327133168 /nfs/dbraw/zinc/13/31/68/327133168.db2.gz GFGGMYDGAAPENB-WBVHZDCISA-N 2 2 258.409 3.205 20 30 CGEDLP C=C(CC)C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000313479342 327133169 /nfs/dbraw/zinc/13/31/69/327133169.db2.gz GFGGMYDGAAPENB-WBVHZDCISA-N 2 2 258.409 3.205 20 30 CGEDLP C=C(CC)C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000313479337 327133217 /nfs/dbraw/zinc/13/32/17/327133217.db2.gz GFGGMYDGAAPENB-DOTOQJQBSA-N 2 2 258.409 3.205 20 30 CGEDLP C=C(CC)C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000313479337 327133218 /nfs/dbraw/zinc/13/32/18/327133218.db2.gz GFGGMYDGAAPENB-DOTOQJQBSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H](C)[C@@H]1CCCOC1)C(C)C ZINC000507518381 332811599 /nfs/dbraw/zinc/81/15/99/332811599.db2.gz CVHDHKQDAOEFHX-KZNAEPCWSA-N 2 2 294.483 3.090 20 30 CGEDLP C=CCCC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423084228 330168899 /nfs/dbraw/zinc/16/88/99/330168899.db2.gz HCSNIKQMJQSQIH-IAGOWNOFSA-N 2 2 274.408 3.044 20 30 CGEDLP CC1(C#N)CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527807729 330284620 /nfs/dbraw/zinc/28/46/20/330284620.db2.gz IRRTVHYIOPUTBU-ARWYELJZSA-N 2 2 275.440 3.065 20 30 CGEDLP CC1(C#N)CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527807729 330284621 /nfs/dbraw/zinc/28/46/21/330284621.db2.gz IRRTVHYIOPUTBU-ARWYELJZSA-N 2 2 275.440 3.065 20 30 CGEDLP C=CCC[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000121052380 330394034 /nfs/dbraw/zinc/39/40/34/330394034.db2.gz QSZMVMMKWNIUDO-DOTOQJQBSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CCC[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000121052380 330394035 /nfs/dbraw/zinc/39/40/35/330394035.db2.gz QSZMVMMKWNIUDO-DOTOQJQBSA-N 2 2 262.441 3.338 20 30 CGEDLP C#C[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000491778087 332343321 /nfs/dbraw/zinc/34/33/21/332343321.db2.gz FKVZHXQVUZDBHX-KRWDZBQOSA-N 2 2 290.838 3.477 20 30 CGEDLP CC(C)(CCC#N)C[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000174239597 335151011 /nfs/dbraw/zinc/15/10/11/335151011.db2.gz HZPNMVYMGUVHJO-UHFFFAOYSA-N 2 2 265.445 3.170 20 30 CGEDLP C[C@H]1C[C@@H]([NH+](C)CC#Cc2ccccc2Cl)CC[N@@H+]1C ZINC000135123079 334116470 /nfs/dbraw/zinc/11/64/70/334116470.db2.gz OSLLPYNUINOGRE-HOCLYGCPSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@H]1C[C@@H]([NH+](C)CC#Cc2ccccc2Cl)CC[N@H+]1C ZINC000135123079 334116472 /nfs/dbraw/zinc/11/64/72/334116472.db2.gz OSLLPYNUINOGRE-HOCLYGCPSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@H]1C[C@@H]([N@H+](C)CC#Cc2ccccc2Cl)CC[NH+]1C ZINC000135123079 334116473 /nfs/dbraw/zinc/11/64/73/334116473.db2.gz OSLLPYNUINOGRE-HOCLYGCPSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@H]1C[C@@H]([N@@H+](C)CC#Cc2ccccc2Cl)CC[NH+]1C ZINC000135123079 334116475 /nfs/dbraw/zinc/11/64/75/334116475.db2.gz OSLLPYNUINOGRE-HOCLYGCPSA-N 2 2 290.838 3.106 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)CCCC)CC1 ZINC000565444360 334564239 /nfs/dbraw/zinc/56/42/39/334564239.db2.gz LRIRWRGHEPOHAG-LSDHHAIUSA-N 2 2 252.446 3.441 20 30 CGEDLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1csc(C#N)c1 ZINC000895507841 619838829 /nfs/dbraw/zinc/83/88/29/619838829.db2.gz ABQZZHJAZZSQEC-CJNGLKHVSA-N 2 2 291.464 3.172 20 30 CGEDLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1csc(C#N)c1 ZINC000895507841 619838830 /nfs/dbraw/zinc/83/88/30/619838830.db2.gz ABQZZHJAZZSQEC-CJNGLKHVSA-N 2 2 291.464 3.172 20 30 CGEDLP C#Cc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000896195852 619964413 /nfs/dbraw/zinc/96/44/13/619964413.db2.gz UUVRPOWMEOTEQB-UHFFFAOYSA-N 2 2 291.398 3.139 20 30 CGEDLP C[C@@H]([NH2+]CC(C)(C)CC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000903018158 621520973 /nfs/dbraw/zinc/52/09/73/621520973.db2.gz YBIZFOXTWHZBMW-CQSZACIVSA-N 2 2 282.391 3.463 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2ccccn2)C2CC2)CC1 ZINC000903090436 621567300 /nfs/dbraw/zinc/56/73/00/621567300.db2.gz BDLYWKCKZQLBDJ-GOSISDBHSA-N 2 2 285.435 3.163 20 30 CGEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(C#N)cs1 ZINC000093492499 621822512 /nfs/dbraw/zinc/82/25/12/621822512.db2.gz SQVBTHBKQAVVRV-AWEZNQCLSA-N 2 2 288.420 3.021 20 30 CGEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccc(C#N)c(Cl)c1 ZINC000783880845 628755182 /nfs/dbraw/zinc/75/51/82/628755182.db2.gz PKJGXZFFJCCJGX-UHFFFAOYSA-N 2 2 299.765 3.119 20 30 CGEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000863547264 629603721 /nfs/dbraw/zinc/60/37/21/629603721.db2.gz RBOIKCISEUTTKC-DVOMOZLQSA-N 2 2 294.826 3.219 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000817942511 632240459 /nfs/dbraw/zinc/24/04/59/632240459.db2.gz PEJHVYTZEGTKRW-ROUUACIJSA-N 2 2 287.451 3.087 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3c(F)cccc32)CC1 ZINC000866261358 633050364 /nfs/dbraw/zinc/05/03/64/633050364.db2.gz TXGKIELISOGOSR-SFHVURJKSA-N 2 2 288.410 3.443 20 30 CGEDLP C#C[C@H](CC)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877513319 635066289 /nfs/dbraw/zinc/06/62/89/635066289.db2.gz RBNHCXCNTUIPBG-LMMKCTJWSA-N 2 2 282.431 3.356 20 30 CGEDLP C#C[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877513319 635066293 /nfs/dbraw/zinc/06/62/93/635066293.db2.gz RBNHCXCNTUIPBG-LMMKCTJWSA-N 2 2 282.431 3.356 20 30 CGEDLP CCCCCCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000852009526 637570972 /nfs/dbraw/zinc/57/09/72/637570972.db2.gz MPDXQIJXMMTIPK-QGZVFWFLSA-N 2 2 282.472 3.144 20 30 CGEDLP CCCCCCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000852009526 637570976 /nfs/dbraw/zinc/57/09/76/637570976.db2.gz MPDXQIJXMMTIPK-QGZVFWFLSA-N 2 2 282.472 3.144 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccco1 ZINC000925779320 638610435 /nfs/dbraw/zinc/61/04/35/638610435.db2.gz WYOQDHWDWRQFHZ-QWHCGFSZSA-N 2 2 284.350 3.121 20 30 CGEDLP C[C@@H]1CCCC[N@@H+]1CCCNc1[nH+]ccc2[nH]cc(C#N)c21 ZINC001156927428 805754374 /nfs/dbraw/zinc/75/43/74/805754374.db2.gz CYBFMUGGXFSGML-CYBMUJFWSA-N 2 2 297.406 3.111 20 30 CGEDLP C[C@@H]1CCCC[N@H+]1CCCNc1[nH+]ccc2[nH]cc(C#N)c21 ZINC001156927428 805754379 /nfs/dbraw/zinc/75/43/79/805754379.db2.gz CYBFMUGGXFSGML-CYBMUJFWSA-N 2 2 297.406 3.111 20 30 CGEDLP Cc1ccc(C#N)c(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001245605160 803849738 /nfs/dbraw/zinc/84/97/38/803849738.db2.gz FBDREULWVSMSST-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(C#N)c(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001245605160 803849745 /nfs/dbraw/zinc/84/97/45/803849745.db2.gz FBDREULWVSMSST-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP CCCC[C@H]1C[C@@H]([N@H+](CCC#N)C2CCCC2)CC[NH2+]1 ZINC001246771316 804504663 /nfs/dbraw/zinc/50/46/63/804504663.db2.gz YJUZIUQUSXJUPR-RDJZCZTQSA-N 2 2 277.456 3.455 20 30 CGEDLP CCCC[C@H]1C[C@@H]([N@@H+](CCC#N)C2CCCC2)CC[NH2+]1 ZINC001246771316 804504666 /nfs/dbraw/zinc/50/46/66/804504666.db2.gz YJUZIUQUSXJUPR-RDJZCZTQSA-N 2 2 277.456 3.455 20 30 CGEDLP CCCCCCC[C@H](CCC)[N@@H+]1C[C@@H]2C[NH2+]C[C@H]21 ZINC001246918460 804600892 /nfs/dbraw/zinc/60/08/92/804600892.db2.gz KPPFJVQYXUJPKK-HRCADAONSA-N 2 2 252.446 3.419 20 30 CGEDLP CCCCCCC[C@H](CCC)[N@H+]1C[C@@H]2C[NH2+]C[C@H]21 ZINC001246918460 804600895 /nfs/dbraw/zinc/60/08/95/804600895.db2.gz KPPFJVQYXUJPKK-HRCADAONSA-N 2 2 252.446 3.419 20 30 CGEDLP CCCCCCC[C@H](CC)[N@@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001246991043 804632146 /nfs/dbraw/zinc/63/21/46/804632146.db2.gz YDUVKOKAJXEBSE-IRXDYDNUSA-N 2 2 282.472 3.190 20 30 CGEDLP CCCCCCC[C@H](CC)[N@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001246991043 804632147 /nfs/dbraw/zinc/63/21/47/804632147.db2.gz YDUVKOKAJXEBSE-IRXDYDNUSA-N 2 2 282.472 3.190 20 30 CGEDLP C=C1C[C@@H]2CC([NH+]3C[C@H]4[C@H](C3)CCC[N@H+]4C)C[C@H](C1)C2 ZINC001257894352 807244244 /nfs/dbraw/zinc/24/42/44/807244244.db2.gz QMCWDRPXQMFYGN-VTEPJNGRSA-N 2 2 274.452 3.147 20 30 CGEDLP C=C1C[C@@H]2CC([NH+]3C[C@H]4[C@H](C3)CCC[N@@H+]4C)C[C@H](C1)C2 ZINC001257894352 807244249 /nfs/dbraw/zinc/24/42/49/807244249.db2.gz QMCWDRPXQMFYGN-VTEPJNGRSA-N 2 2 274.452 3.147 20 30 CGEDLP C=C1C[C@@H]2CC([N@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)C[C@H](C1)C2 ZINC001257894352 807244253 /nfs/dbraw/zinc/24/42/53/807244253.db2.gz QMCWDRPXQMFYGN-VTEPJNGRSA-N 2 2 274.452 3.147 20 30 CGEDLP C=C1C[C@@H]2CC([N@@H+]3C[C@H]4[C@H](C3)CCC[NH+]4C)C[C@H](C1)C2 ZINC001257894352 807244255 /nfs/dbraw/zinc/24/42/55/807244255.db2.gz QMCWDRPXQMFYGN-VTEPJNGRSA-N 2 2 274.452 3.147 20 30 CGEDLP CC1(C)C[C@H](Nc2[nH+]cccc2CC#N)C[C@](C)(C[NH3+])C1 ZINC001169138274 807588969 /nfs/dbraw/zinc/58/89/69/807588969.db2.gz PFVBVFAIMOVVPH-YOEHRIQHSA-N 2 2 286.423 3.103 20 30 CGEDLP C=CCOC1CCC(n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CC1 ZINC001173326781 808612487 /nfs/dbraw/zinc/61/24/87/808612487.db2.gz QMOUIMXWSYXJIG-FHERZECASA-N 2 2 289.423 3.036 20 30 CGEDLP N#CCC1CCC(N(c2cccc[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001173336514 808617158 /nfs/dbraw/zinc/61/71/58/808617158.db2.gz BYUSRPTZGSVHMC-UHFFFAOYSA-N 2 2 298.434 3.112 20 30 CGEDLP CC1(C#N)CCC([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001173593786 808649881 /nfs/dbraw/zinc/64/98/81/808649881.db2.gz NNEIZENSFLGHBU-UHFFFAOYSA-N 2 2 299.418 3.397 20 30 CGEDLP CC#CCC[NH2+][C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001180469231 810003852 /nfs/dbraw/zinc/00/38/52/810003852.db2.gz HXQCLIUQEMCRRJ-SJLPKXTDSA-N 2 2 270.420 3.043 20 30 CGEDLP CC#CCC[NH2+][C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001180469231 810003857 /nfs/dbraw/zinc/00/38/57/810003857.db2.gz HXQCLIUQEMCRRJ-SJLPKXTDSA-N 2 2 270.420 3.043 20 30 CGEDLP C#CCCCCCC[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC001206629636 813379833 /nfs/dbraw/zinc/37/98/33/813379833.db2.gz WYEDIXNVNXDNKT-HNNXBMFYSA-N 2 2 250.430 3.033 20 30 CGEDLP C#CCCCCCC[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001206629636 813379841 /nfs/dbraw/zinc/37/98/41/813379841.db2.gz WYEDIXNVNXDNKT-HNNXBMFYSA-N 2 2 250.430 3.033 20 30 CGEDLP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001320878085 934116308 /nfs/dbraw/zinc/11/63/08/934116308.db2.gz ZGSILNYEXVXTKU-IAFLDTSXSA-N 2 2 297.446 3.073 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001474136577 937841860 /nfs/dbraw/zinc/84/18/60/937841860.db2.gz JHSPMOJSJPVIPC-OAGGEKHMSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001474136577 937841861 /nfs/dbraw/zinc/84/18/61/937841861.db2.gz JHSPMOJSJPVIPC-OAGGEKHMSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CCC[C@H](CC)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001560929707 938284704 /nfs/dbraw/zinc/28/47/04/938284704.db2.gz GYXXURRYGSIPEX-HOTGVXAUSA-N 2 2 252.446 3.441 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000591577346 346929050 /nfs/dbraw/zinc/92/90/50/346929050.db2.gz UQAKMJCGUWYOKW-RTBURBONSA-N 2 2 291.398 3.225 20 30 CGEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594965208 347243825 /nfs/dbraw/zinc/24/38/25/347243825.db2.gz RSWPBHRQTVEHKL-KRWDZBQOSA-N 2 2 297.446 3.204 20 30 CGEDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594965208 347243827 /nfs/dbraw/zinc/24/38/27/347243827.db2.gz RSWPBHRQTVEHKL-KRWDZBQOSA-N 2 2 297.446 3.204 20 30 CGEDLP CC1([NH+]2CCCC2)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000602735825 348021867 /nfs/dbraw/zinc/02/18/67/348021867.db2.gz YUUVNAQPNJJERU-UHFFFAOYSA-N 2 2 283.419 3.009 20 30 CGEDLP C=CC[C@@H]1CC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000625701880 350199945 /nfs/dbraw/zinc/19/99/45/350199945.db2.gz LYCUTKSZKPQBTH-CVEARBPZSA-N 2 2 250.430 3.147 20 30 CGEDLP C=CC[C@@H]1CC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000625701880 350199948 /nfs/dbraw/zinc/19/99/48/350199948.db2.gz LYCUTKSZKPQBTH-CVEARBPZSA-N 2 2 250.430 3.147 20 30 CGEDLP C=CC[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000625701880 350199951 /nfs/dbraw/zinc/19/99/51/350199951.db2.gz LYCUTKSZKPQBTH-CVEARBPZSA-N 2 2 250.430 3.147 20 30 CGEDLP C=CC[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000625701880 350199953 /nfs/dbraw/zinc/19/99/53/350199953.db2.gz LYCUTKSZKPQBTH-CVEARBPZSA-N 2 2 250.430 3.147 20 30 CGEDLP C=C(Cl)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121625481 370880315 /nfs/dbraw/zinc/88/03/15/370880315.db2.gz ZEYYVFRRVJMYPG-UHFFFAOYSA-N 2 2 278.827 3.335 20 30 CGEDLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(C#N)CC1 ZINC000574258289 335004522 /nfs/dbraw/zinc/00/45/22/335004522.db2.gz ZVOFDCGFNGDCSQ-UHFFFAOYSA-N 2 2 285.435 3.038 20 30 CGEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(C#N)CC1 ZINC000574258289 335004523 /nfs/dbraw/zinc/00/45/23/335004523.db2.gz ZVOFDCGFNGDCSQ-UHFFFAOYSA-N 2 2 285.435 3.038 20 30 CGEDLP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000185684938 296135139 /nfs/dbraw/zinc/13/51/39/296135139.db2.gz HPPVEMDHYQURAB-DNVCBOLYSA-N 2 2 293.414 3.339 20 30 CGEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000118399264 370613750 /nfs/dbraw/zinc/61/37/50/370613750.db2.gz TYVNOGAOWKHSJW-CQSZACIVSA-N 2 2 280.375 3.153 20 30 CGEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134888177 371371713 /nfs/dbraw/zinc/37/17/13/371371713.db2.gz NLJQRILGQRGQOP-IEBWSBKVSA-N 2 2 295.430 3.007 20 30 CGEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134888177 371371719 /nfs/dbraw/zinc/37/17/19/371371719.db2.gz NLJQRILGQRGQOP-IEBWSBKVSA-N 2 2 295.430 3.007 20 30 CGEDLP N#Cc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134888177 371371723 /nfs/dbraw/zinc/37/17/23/371371723.db2.gz NLJQRILGQRGQOP-IEBWSBKVSA-N 2 2 295.430 3.007 20 30 CGEDLP N#Cc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134888177 371371729 /nfs/dbraw/zinc/37/17/29/371371729.db2.gz NLJQRILGQRGQOP-IEBWSBKVSA-N 2 2 295.430 3.007 20 30 CGEDLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000442716598 373069896 /nfs/dbraw/zinc/06/98/96/373069896.db2.gz OKLHRXINVALGDX-FHWLQOOXSA-N 2 2 299.462 3.221 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000449073294 373658364 /nfs/dbraw/zinc/65/83/64/373658364.db2.gz HVRBFVBGLAGSLF-HNNXBMFYSA-N 2 2 275.440 3.486 20 30 CGEDLP C[N@H+](CC[NH2+]C1CCC(C)(C#N)CC1)Cc1ccccc1 ZINC000449092724 373660880 /nfs/dbraw/zinc/66/08/80/373660880.db2.gz MYYMYXOIPMHUHR-UHFFFAOYSA-N 2 2 285.435 3.180 20 30 CGEDLP C[N@@H+](CC[NH2+]C1CCC(C)(C#N)CC1)Cc1ccccc1 ZINC000449092724 373660888 /nfs/dbraw/zinc/66/08/88/373660888.db2.gz MYYMYXOIPMHUHR-UHFFFAOYSA-N 2 2 285.435 3.180 20 30 CGEDLP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000449445791 373724849 /nfs/dbraw/zinc/72/48/49/373724849.db2.gz LXKPBBAIXISHDR-YTQUADARSA-N 2 2 297.446 3.323 20 30 CGEDLP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000449445791 373724853 /nfs/dbraw/zinc/72/48/53/373724853.db2.gz LXKPBBAIXISHDR-YTQUADARSA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)cc2C#N)CC[N@@H+]1C ZINC000187119783 374975106 /nfs/dbraw/zinc/97/51/06/374975106.db2.gz RZWJWYMQUMMCNY-BLLLJJGKSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Cl)cc2C#N)CC[N@H+]1C ZINC000187119783 374975111 /nfs/dbraw/zinc/97/51/11/374975111.db2.gz RZWJWYMQUMMCNY-BLLLJJGKSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)cc2C#N)CC[NH+]1C ZINC000187119783 374975116 /nfs/dbraw/zinc/97/51/16/374975116.db2.gz RZWJWYMQUMMCNY-BLLLJJGKSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)CC[NH+]1C ZINC000187119783 374975122 /nfs/dbraw/zinc/97/51/22/374975122.db2.gz RZWJWYMQUMMCNY-BLLLJJGKSA-N 2 2 291.826 3.126 20 30 CGEDLP C[N@@H+](CC#Cc1ccccc1Cl)CCC[NH+]1CCCC1 ZINC000499930582 375633065 /nfs/dbraw/zinc/63/30/65/375633065.db2.gz UTYVXEWIAVJPBB-UHFFFAOYSA-N 2 2 290.838 3.109 20 30 CGEDLP C[N@H+](CC#Cc1ccccc1Cl)CCC[NH+]1CCCC1 ZINC000499930582 375633071 /nfs/dbraw/zinc/63/30/71/375633071.db2.gz UTYVXEWIAVJPBB-UHFFFAOYSA-N 2 2 290.838 3.109 20 30 CGEDLP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000249129231 377467205 /nfs/dbraw/zinc/46/72/05/377467205.db2.gz KOHSJNJWRUVOQN-KDOFPFPSSA-N 2 2 294.402 3.146 20 30 CGEDLP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000249129231 377467210 /nfs/dbraw/zinc/46/72/10/377467210.db2.gz KOHSJNJWRUVOQN-KDOFPFPSSA-N 2 2 294.402 3.146 20 30 CGEDLP Cc1ccc(CCC[NH2+]Cc2ccc(CC#N)cc2)c[nH+]1 ZINC000578533380 378079081 /nfs/dbraw/zinc/07/90/81/378079081.db2.gz IQGXWXYWZAMZON-UHFFFAOYSA-N 2 2 279.387 3.179 20 30 CGEDLP C=C1CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000346219125 378509996 /nfs/dbraw/zinc/50/99/96/378509996.db2.gz RBABNSCBYWPSEH-UHFFFAOYSA-N 2 2 291.464 3.062 20 30 CGEDLP C=C1CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000346219125 378509999 /nfs/dbraw/zinc/50/99/99/378509999.db2.gz RBABNSCBYWPSEH-UHFFFAOYSA-N 2 2 291.464 3.062 20 30 CGEDLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(C#N)c(F)c1 ZINC000271952629 378528128 /nfs/dbraw/zinc/52/81/28/378528128.db2.gz OWTWWNIOQDBACP-CYBMUJFWSA-N 2 2 298.365 3.245 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H](C)[C@H]1CC1(F)F)C(C)C ZINC000638358067 378776226 /nfs/dbraw/zinc/77/62/26/378776226.db2.gz YSAMMIMIUUAOTR-RBSFLKMASA-N 2 2 286.410 3.318 20 30 CGEDLP C=CCOCCC[N@@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000348118680 378799006 /nfs/dbraw/zinc/79/90/06/378799006.db2.gz MEIIMBCVRKOXAM-UHFFFAOYSA-N 2 2 282.472 3.166 20 30 CGEDLP C=CCOCCC[N@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000348118680 378799011 /nfs/dbraw/zinc/79/90/11/378799011.db2.gz MEIIMBCVRKOXAM-UHFFFAOYSA-N 2 2 282.472 3.166 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000274826480 378902918 /nfs/dbraw/zinc/90/29/18/378902918.db2.gz CGPIYGCTROUTTB-ZDUSSCGKSA-N 2 2 293.842 3.426 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000274977758 378924547 /nfs/dbraw/zinc/92/45/47/378924547.db2.gz BBFRFKOWZQIPCI-XJKSGUPXSA-N 2 2 280.375 3.222 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000274977758 378924551 /nfs/dbraw/zinc/92/45/51/378924551.db2.gz BBFRFKOWZQIPCI-XJKSGUPXSA-N 2 2 280.375 3.222 20 30 CGEDLP C[NH+](C)[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000277362988 379140535 /nfs/dbraw/zinc/14/05/35/379140535.db2.gz XDTVGFOGRKYKMC-QGZVFWFLSA-N 2 2 290.838 3.108 20 30 CGEDLP C[NH+](C)[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000277362988 379140541 /nfs/dbraw/zinc/14/05/41/379140541.db2.gz XDTVGFOGRKYKMC-QGZVFWFLSA-N 2 2 290.838 3.108 20 30 CGEDLP C=CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000350269768 379532960 /nfs/dbraw/zinc/53/29/60/379532960.db2.gz RVCYJPSDZMRATE-UHFFFAOYSA-N 2 2 259.378 3.084 20 30 CGEDLP C=CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000350269768 379532971 /nfs/dbraw/zinc/53/29/71/379532971.db2.gz RVCYJPSDZMRATE-UHFFFAOYSA-N 2 2 259.378 3.084 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000280984994 379812221 /nfs/dbraw/zinc/81/22/21/379812221.db2.gz WOGYEROTRCLWIE-SFHVURJKSA-N 2 2 285.435 3.163 20 30 CGEDLP C=CCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389837883 379903998 /nfs/dbraw/zinc/90/39/98/379903998.db2.gz LKGRFBAPEKZYQO-DOTOQJQBSA-N 2 2 258.409 3.063 20 30 CGEDLP C=CCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389837883 379904000 /nfs/dbraw/zinc/90/40/00/379904000.db2.gz LKGRFBAPEKZYQO-DOTOQJQBSA-N 2 2 258.409 3.063 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C)CC2)CC1 ZINC000641719071 380060780 /nfs/dbraw/zinc/06/07/80/380060780.db2.gz KYJYPKOYQWINSW-CABCVRRESA-N 2 2 250.430 3.195 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)[C@@H]2CC2(C)C)CC1 ZINC000414131939 380191669 /nfs/dbraw/zinc/19/16/69/380191669.db2.gz YPNSJBNCRNPTBK-LSDHHAIUSA-N 2 2 250.430 3.051 20 30 CGEDLP C=CCOc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000353901327 380226492 /nfs/dbraw/zinc/22/64/92/380226492.db2.gz RBAGRRRJTLGWMD-UHFFFAOYSA-N 2 2 297.402 3.354 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](C)c3ccccc32)CC1 ZINC000289102640 392413549 /nfs/dbraw/zinc/41/35/49/392413549.db2.gz CGPTUJVZGHIPRC-KSSFIOAISA-N 2 2 270.420 3.475 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000289102637 392413918 /nfs/dbraw/zinc/41/39/18/392413918.db2.gz CGPTUJVZGHIPRC-KDOFPFPSSA-N 2 2 270.420 3.475 20 30 CGEDLP C[C@H]1C[C@@H]([NH+](C)CC#Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000177292414 392660797 /nfs/dbraw/zinc/66/07/97/392660797.db2.gz AOQGPYSYAQZNTA-YOEHRIQHSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@H]1C[C@@H]([NH+](C)CC#Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000177292414 392660801 /nfs/dbraw/zinc/66/08/01/392660801.db2.gz AOQGPYSYAQZNTA-YOEHRIQHSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@H]1C[C@@H]([N@H+](C)CC#Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000177292414 392660802 /nfs/dbraw/zinc/66/08/02/392660802.db2.gz AOQGPYSYAQZNTA-YOEHRIQHSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@H]1C[C@@H]([N@@H+](C)CC#Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000177292414 392660807 /nfs/dbraw/zinc/66/08/07/392660807.db2.gz AOQGPYSYAQZNTA-YOEHRIQHSA-N 2 2 290.838 3.106 20 30 CGEDLP C=CC[C@@H](C)[C@@H](C)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348833033 393132576 /nfs/dbraw/zinc/13/25/76/393132576.db2.gz LJZVXLXSQMYUIY-ZIAGYGMSSA-N 2 2 270.380 3.339 20 30 CGEDLP C=C(C)CC[NH+]1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000351872588 393197230 /nfs/dbraw/zinc/19/72/30/393197230.db2.gz DUBXXSOYDYPZRJ-XHSDSOJGSA-N 2 2 250.430 3.290 20 30 CGEDLP C=C(C)CC[NH+]1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000351872588 393197236 /nfs/dbraw/zinc/19/72/36/393197236.db2.gz DUBXXSOYDYPZRJ-XHSDSOJGSA-N 2 2 250.430 3.290 20 30 CGEDLP C=C(C)CC[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000351872588 393197239 /nfs/dbraw/zinc/19/72/39/393197239.db2.gz DUBXXSOYDYPZRJ-XHSDSOJGSA-N 2 2 250.430 3.290 20 30 CGEDLP C=C(C)CC[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000351872588 393197244 /nfs/dbraw/zinc/19/72/44/393197244.db2.gz DUBXXSOYDYPZRJ-XHSDSOJGSA-N 2 2 250.430 3.290 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@H]2CC)CC1 ZINC000430715416 393589280 /nfs/dbraw/zinc/58/92/80/393589280.db2.gz AEDVHDARQMJYRU-ZMSDIMECSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CC[C@@H]1[N@@H+](Cc2c[nH+]c3n2CCC3)CCCC1(C)C ZINC000668069955 542965327 /nfs/dbraw/zinc/96/53/27/542965327.db2.gz FHIUKJJFFYMBGI-HNNXBMFYSA-N 2 2 273.424 3.396 20 30 CGEDLP C=CC[C@@H]1[N@H+](Cc2c[nH+]c3n2CCC3)CCCC1(C)C ZINC000668069955 542965329 /nfs/dbraw/zinc/96/53/29/542965329.db2.gz FHIUKJJFFYMBGI-HNNXBMFYSA-N 2 2 273.424 3.396 20 30 CGEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131928026 287393158 /nfs/dbraw/zinc/39/31/58/287393158.db2.gz KYZWSUPMBZLZIZ-KDOFPFPSSA-N 2 2 293.370 3.168 20 30 CGEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131928026 287393160 /nfs/dbraw/zinc/39/31/60/287393160.db2.gz KYZWSUPMBZLZIZ-KDOFPFPSSA-N 2 2 293.370 3.168 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000657878596 419402043 /nfs/dbraw/zinc/40/20/43/419402043.db2.gz WVELAPWJUFILGA-ZACQAIPSSA-N 2 2 262.441 3.195 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000657878596 419402056 /nfs/dbraw/zinc/40/20/56/419402056.db2.gz WVELAPWJUFILGA-ZACQAIPSSA-N 2 2 262.441 3.195 20 30 CGEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000657845053 419385330 /nfs/dbraw/zinc/38/53/30/419385330.db2.gz PGVQMRPRVAFCHH-JKSUJKDBSA-N 2 2 261.413 3.388 20 30 CGEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1Cl ZINC000415039942 263257291 /nfs/dbraw/zinc/25/72/91/263257291.db2.gz NODKBJOXQFAMNC-HNNXBMFYSA-N 2 2 294.826 3.135 20 30 CGEDLP C=CCC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000120269303 263282802 /nfs/dbraw/zinc/28/28/02/263282802.db2.gz YDSONUMCWUHZEW-IBGZPJMESA-N 2 2 299.462 3.380 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000341587355 263343927 /nfs/dbraw/zinc/34/39/27/263343927.db2.gz IPIUYJHSBPHKKQ-GJZGRUSLSA-N 2 2 282.472 3.066 20 30 CGEDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccc(C#N)cc1 ZINC000278319459 288045476 /nfs/dbraw/zinc/04/54/76/288045476.db2.gz UWKSQYISONPMHS-IRXDYDNUSA-N 2 2 271.408 3.083 20 30 CGEDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccc(C#N)cc1 ZINC000278319459 288045478 /nfs/dbraw/zinc/04/54/78/288045478.db2.gz UWKSQYISONPMHS-IRXDYDNUSA-N 2 2 271.408 3.083 20 30 CGEDLP C[C@@H]1[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCC[N@@H+]1C ZINC000360882063 289060392 /nfs/dbraw/zinc/06/03/92/289060392.db2.gz CNOXXAAGPDJHEN-ZMYBRWDISA-N 2 2 297.446 3.398 20 30 CGEDLP C[C@@H]1[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCC[N@H+]1C ZINC000360882063 289060393 /nfs/dbraw/zinc/06/03/93/289060393.db2.gz CNOXXAAGPDJHEN-ZMYBRWDISA-N 2 2 297.446 3.398 20 30 CGEDLP N#CC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000569604850 327209445 /nfs/dbraw/zinc/20/94/45/327209445.db2.gz BLTHSUWCIYQUQH-KRWDZBQOSA-N 2 2 295.430 3.077 20 30 CGEDLP N#CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000569604850 327209446 /nfs/dbraw/zinc/20/94/46/327209446.db2.gz BLTHSUWCIYQUQH-KRWDZBQOSA-N 2 2 295.430 3.077 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421320042 329811656 /nfs/dbraw/zinc/81/16/56/329811656.db2.gz BTCLEWFLBLSUNG-UHFFFAOYSA-N 2 2 270.420 3.304 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccncc2Cl)CC1 ZINC000421840280 330093455 /nfs/dbraw/zinc/09/34/55/330093455.db2.gz YNRANPKKYZZKBU-ZDUSSCGKSA-N 2 2 293.842 3.426 20 30 CGEDLP C=CCC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000422999888 330163877 /nfs/dbraw/zinc/16/38/77/330163877.db2.gz UBBOTZZDCHLZAY-NXHRZFHOSA-N 2 2 288.435 3.051 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(F)cc(C)cc2F)CC1 ZINC000424139750 330280148 /nfs/dbraw/zinc/28/01/48/330280148.db2.gz FHRLSJSWJYKQAM-UHFFFAOYSA-N 2 2 294.389 3.403 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H](C)[C@]1(C)CCCO1)C(C)C ZINC000551266171 334243781 /nfs/dbraw/zinc/24/37/81/334243781.db2.gz XLCHVVZHIMFRJJ-KSZLIROESA-N 2 2 294.483 3.232 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000553102929 334361596 /nfs/dbraw/zinc/36/15/96/334361596.db2.gz NWINEMDYRSEQNS-IJEWVQPXSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000553102929 334361597 /nfs/dbraw/zinc/36/15/97/334361597.db2.gz NWINEMDYRSEQNS-IJEWVQPXSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC)C2(CC)CC)CC1 ZINC000181716135 335780363 /nfs/dbraw/zinc/78/03/63/335780363.db2.gz GUCKOLYAYSPOAV-SJORKVTESA-N 2 2 294.483 3.210 20 30 CGEDLP C=CC(C)(C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000384855977 336132956 /nfs/dbraw/zinc/13/29/56/336132956.db2.gz MVZYCEWMUYYURE-UHFFFAOYSA-N 2 2 255.365 3.174 20 30 CGEDLP CCCCCCCC[C@H]([NH3+])c1nc(C2([NH3+])CCC2)no1 ZINC000900008904 620745343 /nfs/dbraw/zinc/74/53/43/620745343.db2.gz QPPUKDFAXYLWEW-LBPRGKRZSA-N 2 2 280.416 3.158 20 30 CGEDLP C=CC[C@@H]1CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000934467968 618625808 /nfs/dbraw/zinc/62/58/08/618625808.db2.gz WZPJOFOBFJZGJV-OAHLLOKOSA-N 2 2 253.349 3.023 20 30 CGEDLP C=CC[C@@H]1CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000934467968 618625812 /nfs/dbraw/zinc/62/58/12/618625812.db2.gz WZPJOFOBFJZGJV-OAHLLOKOSA-N 2 2 253.349 3.023 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926707789 618832465 /nfs/dbraw/zinc/83/24/65/618832465.db2.gz VEKSXEJOJZLAMV-HUUCEWRRSA-N 2 2 277.456 3.311 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926707789 618832466 /nfs/dbraw/zinc/83/24/66/618832466.db2.gz VEKSXEJOJZLAMV-HUUCEWRRSA-N 2 2 277.456 3.311 20 30 CGEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccc(Cl)cc1 ZINC000776176741 619115631 /nfs/dbraw/zinc/11/56/31/619115631.db2.gz DTHJIUPPCCSGOW-UHFFFAOYSA-N 2 2 274.755 3.247 20 30 CGEDLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc(C#N)ccn1 ZINC000902831590 621467288 /nfs/dbraw/zinc/46/72/88/621467288.db2.gz CGPCNESKLKDYIR-CQSZACIVSA-N 2 2 298.434 3.011 20 30 CGEDLP C=CCCOCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902887512 621485493 /nfs/dbraw/zinc/48/54/93/621485493.db2.gz IOFQKBBGMYMZRU-HNNXBMFYSA-N 2 2 285.391 3.116 20 30 CGEDLP C#CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCCC1 ZINC000753543936 626454595 /nfs/dbraw/zinc/45/45/95/626454595.db2.gz FUFFLKJCMVXIAO-UHFFFAOYSA-N 2 2 285.416 3.312 20 30 CGEDLP C#CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCCC1 ZINC000753543936 626454596 /nfs/dbraw/zinc/45/45/96/626454596.db2.gz FUFFLKJCMVXIAO-UHFFFAOYSA-N 2 2 285.416 3.312 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000924849670 638414356 /nfs/dbraw/zinc/41/43/56/638414356.db2.gz IAGUMRFOLXUZPI-CABCVRRESA-N 2 2 265.445 3.025 20 30 CGEDLP N#CCCC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925674506 638564631 /nfs/dbraw/zinc/56/46/31/638564631.db2.gz AXKGMLOSZLJYQM-SJORKVTESA-N 2 2 283.419 3.296 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000926295664 638760644 /nfs/dbraw/zinc/76/06/44/638760644.db2.gz PVEOLERIFUOQQS-CQSZACIVSA-N 2 2 265.445 3.026 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000926295664 638760645 /nfs/dbraw/zinc/76/06/45/638760645.db2.gz PVEOLERIFUOQQS-CQSZACIVSA-N 2 2 265.445 3.026 20 30 CGEDLP N#CCc1cc[nH+]c(NCC2CC[NH+](CC3CCC3)CC2)c1 ZINC001161233782 806359308 /nfs/dbraw/zinc/35/93/08/806359308.db2.gz BHWAXCROPSQNBW-UHFFFAOYSA-N 2 2 298.434 3.072 20 30 CGEDLP C[C@@H]1C[C@H]([NH+]2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256536201 806910798 /nfs/dbraw/zinc/91/07/98/806910798.db2.gz FYBDGMJENBQCHJ-VQIMIIECSA-N 2 2 297.446 3.275 20 30 CGEDLP C[C@@H]1C[C@H]([NH+]2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256536201 806910800 /nfs/dbraw/zinc/91/08/00/806910800.db2.gz FYBDGMJENBQCHJ-VQIMIIECSA-N 2 2 297.446 3.275 20 30 CGEDLP C[C@@]1(C[NH3+])CCCN(c2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001164246809 806922886 /nfs/dbraw/zinc/92/28/86/806922886.db2.gz DARLBQKYZLMICS-GOSISDBHSA-N 2 2 294.402 3.062 20 30 CGEDLP C#C[C@H]1CCC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140026654 804354996 /nfs/dbraw/zinc/35/49/96/804354996.db2.gz OUUXJNTUGWKQAQ-INIZCTEOSA-N 2 2 279.387 3.026 20 30 CGEDLP C#C[C@H]1CCC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140026654 804355000 /nfs/dbraw/zinc/35/50/00/804355000.db2.gz OUUXJNTUGWKQAQ-INIZCTEOSA-N 2 2 279.387 3.026 20 30 CGEDLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001140028409 804355718 /nfs/dbraw/zinc/35/57/18/804355718.db2.gz VIRGMZHVNUHYFF-INIZCTEOSA-N 2 2 294.402 3.306 20 30 CGEDLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001140028409 804355721 /nfs/dbraw/zinc/35/57/21/804355721.db2.gz VIRGMZHVNUHYFF-INIZCTEOSA-N 2 2 294.402 3.306 20 30 CGEDLP CCc1cc(C#N)ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001248751778 804983986 /nfs/dbraw/zinc/98/39/86/804983986.db2.gz KBIQATAMIZKDQS-UHFFFAOYSA-N 2 2 294.402 3.154 20 30 CGEDLP CCc1cc(C#N)ccc1C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001248751107 804984409 /nfs/dbraw/zinc/98/44/09/804984409.db2.gz JKEMNDRJFNAPAU-UHFFFAOYSA-N 2 2 285.435 3.037 20 30 CGEDLP CCc1cc(C#N)ccc1C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001248751107 804984413 /nfs/dbraw/zinc/98/44/13/804984413.db2.gz JKEMNDRJFNAPAU-UHFFFAOYSA-N 2 2 285.435 3.037 20 30 CGEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001258735928 807582158 /nfs/dbraw/zinc/58/21/58/807582158.db2.gz GCDGDVHWZWYQAK-HUUCEWRRSA-N 2 2 260.381 3.198 20 30 CGEDLP C=CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001258735928 807582161 /nfs/dbraw/zinc/58/21/61/807582161.db2.gz GCDGDVHWZWYQAK-HUUCEWRRSA-N 2 2 260.381 3.198 20 30 CGEDLP CC(C)[N@H+]([C@H](C)Cc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC001172312173 808223971 /nfs/dbraw/zinc/22/39/71/808223971.db2.gz FNCPVTIVXREHPO-MRXNPFEDSA-N 2 2 299.462 3.294 20 30 CGEDLP CC(C)[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC001172312173 808223973 /nfs/dbraw/zinc/22/39/73/808223973.db2.gz FNCPVTIVXREHPO-MRXNPFEDSA-N 2 2 299.462 3.294 20 30 CGEDLP CCCCCCCC[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001201825599 811967462 /nfs/dbraw/zinc/96/74/62/811967462.db2.gz AEBGSHMOPMXTEP-UHFFFAOYSA-N 2 2 284.488 3.390 20 30 CGEDLP CCCCCCCC[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001201825599 811967466 /nfs/dbraw/zinc/96/74/66/811967466.db2.gz AEBGSHMOPMXTEP-UHFFFAOYSA-N 2 2 284.488 3.390 20 30 CGEDLP N#Cc1ccc(CCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC001208862623 813870962 /nfs/dbraw/zinc/87/09/62/813870962.db2.gz LFOYKRRQCIGVIF-UHFFFAOYSA-N 2 2 294.402 3.024 20 30 CGEDLP C=CCCCCC[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001209423813 814026023 /nfs/dbraw/zinc/02/60/23/814026023.db2.gz YTTXLTWAKHIXGR-RTBURBONSA-N 2 2 299.462 3.192 20 30 CGEDLP Cc1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)ccc1C#N ZINC001242769205 823127853 /nfs/dbraw/zinc/12/78/53/823127853.db2.gz IPMYONYISPUEMP-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)ccc1C#N ZINC001242769205 823127854 /nfs/dbraw/zinc/12/78/54/823127854.db2.gz IPMYONYISPUEMP-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000591577794 346929739 /nfs/dbraw/zinc/92/97/39/346929739.db2.gz HQFLJVKQONQJLC-AEFFLSMTSA-N 2 2 283.419 3.057 20 30 CGEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000589643515 346805979 /nfs/dbraw/zinc/80/59/79/346805979.db2.gz YRTOFMHOPJAQLE-CQSZACIVSA-N 2 2 294.826 3.089 20 30 CGEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000589643515 346805983 /nfs/dbraw/zinc/80/59/83/346805983.db2.gz YRTOFMHOPJAQLE-CQSZACIVSA-N 2 2 294.826 3.089 20 30 CGEDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]CC(C)(C)CCC#N ZINC000594979311 347247892 /nfs/dbraw/zinc/24/78/92/347247892.db2.gz IZWZXKPALKVPEO-OAHLLOKOSA-N 2 2 265.445 3.026 20 30 CGEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000595052790 347270004 /nfs/dbraw/zinc/27/00/04/347270004.db2.gz ABTHLEFJMICXBI-FUHWJXTLSA-N 2 2 297.446 3.398 20 30 CGEDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000595052790 347270008 /nfs/dbraw/zinc/27/00/08/347270008.db2.gz ABTHLEFJMICXBI-FUHWJXTLSA-N 2 2 297.446 3.398 20 30 CGEDLP N#CC1CCC([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000602505900 347971951 /nfs/dbraw/zinc/97/19/51/347971951.db2.gz BGGNNPUKXHCGSE-KVZIAJEVSA-N 2 2 297.446 3.495 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000611390596 348444311 /nfs/dbraw/zinc/44/43/11/348444311.db2.gz KBPPQOGYFXDXMA-IPMKNSEASA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000611390596 348444312 /nfs/dbraw/zinc/44/43/12/348444312.db2.gz KBPPQOGYFXDXMA-IPMKNSEASA-N 2 2 295.430 3.152 20 30 CGEDLP CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611438166 348452283 /nfs/dbraw/zinc/45/22/83/348452283.db2.gz QTTYOWXDRHJYOI-OAHLLOKOSA-N 2 2 285.435 3.301 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188972 349996851 /nfs/dbraw/zinc/99/68/51/349996851.db2.gz PTQCZSCUSHKZOK-OFQRWUPVSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188972 349996854 /nfs/dbraw/zinc/99/68/54/349996854.db2.gz PTQCZSCUSHKZOK-OFQRWUPVSA-N 2 2 250.430 3.194 20 30 CGEDLP CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000618280002 349065042 /nfs/dbraw/zinc/06/50/42/349065042.db2.gz QJRJTSSCKSVUAR-OAHLLOKOSA-N 2 2 274.412 3.240 20 30 CGEDLP CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000618280002 349065044 /nfs/dbraw/zinc/06/50/44/349065044.db2.gz QJRJTSSCKSVUAR-OAHLLOKOSA-N 2 2 274.412 3.240 20 30 CGEDLP C=CCCCCC[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626089639 350258084 /nfs/dbraw/zinc/25/80/84/350258084.db2.gz YWZBYAYTFKOTKV-UHFFFAOYSA-N 2 2 294.483 3.310 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000153038781 188060266 /nfs/dbraw/zinc/06/02/66/188060266.db2.gz HOXKBUNWSUDQMA-HNNXBMFYSA-N 2 2 290.455 3.155 20 30 CGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CCCC3)CC2)cc1 ZINC000271874074 191383223 /nfs/dbraw/zinc/38/32/23/191383223.db2.gz NLFCWXZLODTBCX-UHFFFAOYSA-N 2 2 297.446 3.302 20 30 CGEDLP C=CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000178677673 189136641 /nfs/dbraw/zinc/13/66/41/189136641.db2.gz QFUHOCBMNHCMGI-LJQANCHMSA-N 2 2 299.462 3.380 20 30 CGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000129222981 370978987 /nfs/dbraw/zinc/97/89/87/370978987.db2.gz KMSHRZCDJBVRJH-AWEZNQCLSA-N 2 2 289.448 3.070 20 30 CGEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000129222981 370978990 /nfs/dbraw/zinc/97/89/90/370978990.db2.gz KMSHRZCDJBVRJH-AWEZNQCLSA-N 2 2 289.448 3.070 20 30 CGEDLP C=CCCC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445292984 373308856 /nfs/dbraw/zinc/30/88/56/373308856.db2.gz GHGHRYHZNGMOSS-UHFFFAOYSA-N 2 2 278.362 3.301 20 30 CGEDLP C=CCCC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000445292984 373308871 /nfs/dbraw/zinc/30/88/71/373308871.db2.gz GHGHRYHZNGMOSS-UHFFFAOYSA-N 2 2 278.362 3.301 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)C2CCCC2)CC1 ZINC000449121981 373664147 /nfs/dbraw/zinc/66/41/47/373664147.db2.gz JTAZNUIHRKPRSJ-INIZCTEOSA-N 2 2 250.430 3.195 20 30 CGEDLP CCC(CC)C[N@H+](CCC#N)Cc1cccc2[nH+]ccn21 ZINC000180059543 373961850 /nfs/dbraw/zinc/96/18/50/373961850.db2.gz FFRSQOZEFKAYIW-UHFFFAOYSA-N 2 2 284.407 3.486 20 30 CGEDLP CCC(CC)C[N@@H+](CCC#N)Cc1cccc2[nH+]ccn21 ZINC000180059543 373961860 /nfs/dbraw/zinc/96/18/60/373961860.db2.gz FFRSQOZEFKAYIW-UHFFFAOYSA-N 2 2 284.407 3.486 20 30 CGEDLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(C#N)s1 ZINC000289517172 197386097 /nfs/dbraw/zinc/38/60/97/197386097.db2.gz VCTOCUGWZHSRHQ-UHFFFAOYSA-N 2 2 279.453 3.174 20 30 CGEDLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(C#N)s1 ZINC000289517172 197386099 /nfs/dbraw/zinc/38/60/99/197386099.db2.gz VCTOCUGWZHSRHQ-UHFFFAOYSA-N 2 2 279.453 3.174 20 30 CGEDLP N#C[C@H]1CCC[C@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000185752556 374729541 /nfs/dbraw/zinc/72/95/41/374729541.db2.gz JOVBJMINIJTDKI-YTQUADARSA-N 2 2 297.446 3.495 20 30 CGEDLP Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)[NH+](C)C)cc1 ZINC000185803000 374740619 /nfs/dbraw/zinc/74/06/19/374740619.db2.gz NBMJVIVEHVIGLF-SZMVWBNQSA-N 2 2 285.435 3.270 20 30 CGEDLP CC1(C#N)CCC([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000334576089 374875696 /nfs/dbraw/zinc/87/56/96/374875696.db2.gz HESBBAFYHNTPQA-CKDBGZEDSA-N 2 2 275.440 3.065 20 30 CGEDLP CC1(C#N)CCC([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000334576089 374875701 /nfs/dbraw/zinc/87/57/01/374875701.db2.gz HESBBAFYHNTPQA-CKDBGZEDSA-N 2 2 275.440 3.065 20 30 CGEDLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCCC#N ZINC000274836420 378904963 /nfs/dbraw/zinc/90/49/63/378904963.db2.gz KZNJSXXCZCOWRJ-QGZVFWFLSA-N 2 2 273.424 3.036 20 30 CGEDLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCCC#N ZINC000274836420 378904969 /nfs/dbraw/zinc/90/49/69/378904969.db2.gz KZNJSXXCZCOWRJ-QGZVFWFLSA-N 2 2 273.424 3.036 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000274977754 378924834 /nfs/dbraw/zinc/92/48/34/378924834.db2.gz BBFRFKOWZQIPCI-CJNGLKHVSA-N 2 2 280.375 3.222 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000274977754 378924836 /nfs/dbraw/zinc/92/48/36/378924836.db2.gz BBFRFKOWZQIPCI-CJNGLKHVSA-N 2 2 280.375 3.222 20 30 CGEDLP C=C(C)C[NH2+][C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000398200993 379929484 /nfs/dbraw/zinc/92/94/84/379929484.db2.gz PNVGYXRTHYXHQB-QGZVFWFLSA-N 2 2 260.425 3.309 20 30 CGEDLP C=C(C)C[NH2+][C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000398200993 379929490 /nfs/dbraw/zinc/92/94/90/379929490.db2.gz PNVGYXRTHYXHQB-QGZVFWFLSA-N 2 2 260.425 3.309 20 30 CGEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(C#N)c1F ZINC000352887045 380020081 /nfs/dbraw/zinc/02/00/81/380020081.db2.gz IXMRXSWYRYIIGH-INIZCTEOSA-N 2 2 289.398 3.004 20 30 CGEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(C#N)c1F ZINC000352887045 380020083 /nfs/dbraw/zinc/02/00/83/380020083.db2.gz IXMRXSWYRYIIGH-INIZCTEOSA-N 2 2 289.398 3.004 20 30 CGEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(C#N)c1F ZINC000352887045 380020090 /nfs/dbraw/zinc/02/00/90/380020090.db2.gz IXMRXSWYRYIIGH-INIZCTEOSA-N 2 2 289.398 3.004 20 30 CGEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(C#N)c1F ZINC000352887045 380020094 /nfs/dbraw/zinc/02/00/94/380020094.db2.gz IXMRXSWYRYIIGH-INIZCTEOSA-N 2 2 289.398 3.004 20 30 CGEDLP C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414171446 380197383 /nfs/dbraw/zinc/19/73/83/380197383.db2.gz UZDXJUJKTSNBTF-CQSZACIVSA-N 2 2 282.391 3.463 20 30 CGEDLP C=C(Cl)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000359878308 381378969 /nfs/dbraw/zinc/37/89/69/381378969.db2.gz QSNXUUSYPQJLIS-UHFFFAOYSA-N 2 2 296.817 3.175 20 30 CGEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000353767002 220314999 /nfs/dbraw/zinc/31/49/99/220314999.db2.gz JVBYWLAIPVJTRG-CJNGLKHVSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000353767002 220315002 /nfs/dbraw/zinc/31/50/02/220315002.db2.gz JVBYWLAIPVJTRG-CJNGLKHVSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000353767002 220315005 /nfs/dbraw/zinc/31/50/05/220315005.db2.gz JVBYWLAIPVJTRG-CJNGLKHVSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000353767002 220315009 /nfs/dbraw/zinc/31/50/09/220315009.db2.gz JVBYWLAIPVJTRG-CJNGLKHVSA-N 2 2 289.398 3.002 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000284055447 392308599 /nfs/dbraw/zinc/30/85/99/392308599.db2.gz KMZSIHKBQZDPII-HNNXBMFYSA-N 2 2 288.435 3.310 20 30 CGEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000338325022 392908033 /nfs/dbraw/zinc/90/80/33/392908033.db2.gz CWBUZQYKYSHRJG-QGZVFWFLSA-N 2 2 297.446 3.180 20 30 CGEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000338325022 392908039 /nfs/dbraw/zinc/90/80/39/392908039.db2.gz CWBUZQYKYSHRJG-QGZVFWFLSA-N 2 2 297.446 3.180 20 30 CGEDLP C=CCOCC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339057347 392942653 /nfs/dbraw/zinc/94/26/53/392942653.db2.gz RTCQTGRGLCKUFN-MRXNPFEDSA-N 2 2 299.418 3.012 20 30 CGEDLP C=CCOCC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339057347 392942660 /nfs/dbraw/zinc/94/26/60/392942660.db2.gz RTCQTGRGLCKUFN-MRXNPFEDSA-N 2 2 299.418 3.012 20 30 CGEDLP N#Cc1ccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000069671253 165056025 /nfs/dbraw/zinc/05/60/25/165056025.db2.gz XXVIGGOKFJXQRL-UHFFFAOYSA-N 2 2 290.370 3.157 20 30 CGEDLP CCC#C[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000679953891 543670443 /nfs/dbraw/zinc/67/04/43/543670443.db2.gz ZIYVNFWPGCGVHI-INIZCTEOSA-N 2 2 273.424 3.177 20 30 CGEDLP C=CCOc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657523849 419298157 /nfs/dbraw/zinc/29/81/57/419298157.db2.gz LIPZDMINFCHQDK-INIZCTEOSA-N 2 2 288.435 3.214 20 30 CGEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC=C)CC1 ZINC000657874900 419398729 /nfs/dbraw/zinc/39/87/29/419398729.db2.gz CHTOYXCWZPWPFL-NVXWUHKLSA-N 2 2 262.441 3.361 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657876692 419399021 /nfs/dbraw/zinc/39/90/21/419399021.db2.gz ZLIGFRWYCJSHPI-OWCLPIDISA-N 2 2 262.441 3.051 20 30 CGEDLP C=CCSCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180456159 261423540 /nfs/dbraw/zinc/42/35/40/261423540.db2.gz LAEWEVRFPVKZLP-CQSZACIVSA-N 2 2 287.432 3.442 20 30 CGEDLP C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000282139631 263074766 /nfs/dbraw/zinc/07/47/66/263074766.db2.gz BZDWGCGFEFZIBZ-OFQRWUPVSA-N 2 2 280.375 3.215 20 30 CGEDLP C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000341096756 263321600 /nfs/dbraw/zinc/32/16/00/263321600.db2.gz AASAQHPTLNIANJ-CVEARBPZSA-N 2 2 275.440 3.419 20 30 CGEDLP C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000341096756 263321602 /nfs/dbraw/zinc/32/16/02/263321602.db2.gz AASAQHPTLNIANJ-CVEARBPZSA-N 2 2 275.440 3.419 20 30 CGEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000341587356 263343863 /nfs/dbraw/zinc/34/38/63/263343863.db2.gz IPIUYJHSBPHKKQ-HUUCEWRRSA-N 2 2 282.472 3.066 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000278361128 288073058 /nfs/dbraw/zinc/07/30/58/288073058.db2.gz BKYBONXDRGZXKD-JEBQAFNWSA-N 2 2 283.419 3.082 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000278361128 288073061 /nfs/dbraw/zinc/07/30/61/288073061.db2.gz BKYBONXDRGZXKD-JEBQAFNWSA-N 2 2 283.419 3.082 20 30 CGEDLP C=CCC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1 ZINC000414362412 328155323 /nfs/dbraw/zinc/15/53/23/328155323.db2.gz SGGDPVWWEIULKB-QGZVFWFLSA-N 2 2 298.434 3.283 20 30 CGEDLP C=CCCC[C@@H](C)[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000340599838 328296023 /nfs/dbraw/zinc/29/60/23/328296023.db2.gz IBIQGXMCNIUJJT-MRXNPFEDSA-N 2 2 273.424 3.257 20 30 CGEDLP C=CCC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423369844 330195040 /nfs/dbraw/zinc/19/50/40/330195040.db2.gz OYGHWOGWAMYXBZ-JDFRZJQESA-N 2 2 294.389 3.355 20 30 CGEDLP CC1(C#N)CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527753809 330281174 /nfs/dbraw/zinc/28/11/74/330281174.db2.gz UVZNGNJCMHHGFQ-NXYGQSRBSA-N 2 2 289.467 3.455 20 30 CGEDLP CC1(C#N)CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527753809 330281175 /nfs/dbraw/zinc/28/11/75/330281175.db2.gz UVZNGNJCMHHGFQ-NXYGQSRBSA-N 2 2 289.467 3.455 20 30 CGEDLP C=C(CC)C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000379676158 330341297 /nfs/dbraw/zinc/34/12/97/330341297.db2.gz YMYGMZKRYXRVMR-UHFFFAOYSA-N 2 2 260.425 3.453 20 30 CGEDLP C=C(CC)C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000379676158 330341298 /nfs/dbraw/zinc/34/12/98/330341298.db2.gz YMYGMZKRYXRVMR-UHFFFAOYSA-N 2 2 260.425 3.453 20 30 CGEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000442642495 330777882 /nfs/dbraw/zinc/77/78/82/330777882.db2.gz DRVOJTJLWLTIET-RBSFLKMASA-N 2 2 289.448 3.167 20 30 CGEDLP C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000453312137 331115031 /nfs/dbraw/zinc/11/50/31/331115031.db2.gz UQHKRFIWFDTBEN-DOTOQJQBSA-N 2 2 287.451 3.094 20 30 CGEDLP C=CC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000453312137 331115032 /nfs/dbraw/zinc/11/50/32/331115032.db2.gz UQHKRFIWFDTBEN-DOTOQJQBSA-N 2 2 287.451 3.094 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)C[N@@H+]1Cc1ccccc1 ZINC000459730207 331296444 /nfs/dbraw/zinc/29/64/44/331296444.db2.gz LNYAVXIXFIXFEE-WBVHZDCISA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)C[N@H+]1Cc1ccccc1 ZINC000459730207 331296445 /nfs/dbraw/zinc/29/64/45/331296445.db2.gz LNYAVXIXFIXFEE-WBVHZDCISA-N 2 2 285.435 3.179 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000091334248 334376679 /nfs/dbraw/zinc/37/66/79/334376679.db2.gz RQCFRNQOMUMAIN-SFHVURJKSA-N 2 2 270.420 3.378 20 30 CGEDLP C=CCOc1ccccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000352856834 526930831 /nfs/dbraw/zinc/93/08/31/526930831.db2.gz HOUMBULBKKWGLX-UHFFFAOYSA-N 2 2 297.402 3.354 20 30 CGEDLP CC[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(C#N)cc1 ZINC000423404250 529176596 /nfs/dbraw/zinc/17/65/96/529176596.db2.gz ZOLZBPAEKFUJNZ-SJORKVTESA-N 2 2 285.435 3.377 20 30 CGEDLP N#CC1CCC(N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC000895111763 619734813 /nfs/dbraw/zinc/73/48/13/619734813.db2.gz JCOUYCSNMHMRPJ-PQCUMEFNSA-N 2 2 298.434 3.240 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccnc(Cl)c2)CC1 ZINC000765832540 627274082 /nfs/dbraw/zinc/27/40/82/627274082.db2.gz HJQRKBFBRIYXTR-GFCCVEGCSA-N 2 2 279.815 3.036 20 30 CGEDLP Cc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1C#N ZINC000767682038 627428070 /nfs/dbraw/zinc/42/80/70/627428070.db2.gz OTQGGWHVUMSDIA-QGZVFWFLSA-N 2 2 296.418 3.268 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)nc(Cl)c2)CC1 ZINC000797599405 629967027 /nfs/dbraw/zinc/96/70/27/629967027.db2.gz IZFIXLXILPOGSB-UHFFFAOYSA-N 2 2 293.842 3.174 20 30 CGEDLP C=CCCCCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000806168136 630552251 /nfs/dbraw/zinc/55/22/51/630552251.db2.gz VITHGPMWVXMLQL-GOEBONIOSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCCCCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000806168136 630552254 /nfs/dbraw/zinc/55/22/54/630552254.db2.gz VITHGPMWVXMLQL-GOEBONIOSA-N 2 2 250.430 3.195 20 30 CGEDLP C=C(C)CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000824743994 633282524 /nfs/dbraw/zinc/28/25/24/633282524.db2.gz UXURRXYVFBLMQE-UHFFFAOYSA-N 2 2 287.451 3.277 20 30 CGEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473209 636007028 /nfs/dbraw/zinc/00/70/28/636007028.db2.gz SUXRISUBIOAUCY-HNNXBMFYSA-N 2 2 283.419 3.179 20 30 CGEDLP CC(C)(C#N)CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570578 636024113 /nfs/dbraw/zinc/02/41/13/636024113.db2.gz YAINPGMXVRWWPX-INIZCTEOSA-N 2 2 282.391 3.154 20 30 CGEDLP C=CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000883218364 636592872 /nfs/dbraw/zinc/59/28/72/636592872.db2.gz YXRGMKFRBKZAJA-QZTJIDSGSA-N 2 2 295.430 3.365 20 30 CGEDLP C=CCCCC[C@H](C)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925751278 638597305 /nfs/dbraw/zinc/59/73/05/638597305.db2.gz YLQXTTBWYXPZHT-LBPRGKRZSA-N 2 2 279.453 3.095 20 30 CGEDLP C=CCCCC[C@H](C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925751278 638597311 /nfs/dbraw/zinc/59/73/11/638597311.db2.gz YLQXTTBWYXPZHT-LBPRGKRZSA-N 2 2 279.453 3.095 20 30 CGEDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926715203 638803125 /nfs/dbraw/zinc/80/31/25/638803125.db2.gz SDOQZIROEOKKJW-LSDHHAIUSA-N 2 2 265.445 3.025 20 30 CGEDLP C=CC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933548649 639459512 /nfs/dbraw/zinc/45/95/12/639459512.db2.gz YDNFROWPDSGSFK-UHFFFAOYSA-N 2 2 270.420 3.260 20 30 CGEDLP C=CCOc1ccccc1C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001139029839 804114918 /nfs/dbraw/zinc/11/49/18/804114918.db2.gz RDCQGKNVPKVOJF-UHFFFAOYSA-N 2 2 288.435 3.168 20 30 CGEDLP C=CCOc1ccccc1C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001139029839 804114921 /nfs/dbraw/zinc/11/49/21/804114921.db2.gz RDCQGKNVPKVOJF-UHFFFAOYSA-N 2 2 288.435 3.168 20 30 CGEDLP CCCCCCC[C@H](CCC)[NH2+][C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001246297575 804263716 /nfs/dbraw/zinc/26/37/16/804263716.db2.gz WDBJFPXSAMSCDT-IKGGRYGDSA-N 2 2 284.488 3.482 20 30 CGEDLP N#CCC1CCC([N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246978509 804626190 /nfs/dbraw/zinc/62/61/90/804626190.db2.gz LDADURXTBJCZGQ-VJFUWPCTSA-N 2 2 289.467 3.455 20 30 CGEDLP N#CCC1CCC([N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246978509 804626193 /nfs/dbraw/zinc/62/61/93/804626193.db2.gz LDADURXTBJCZGQ-VJFUWPCTSA-N 2 2 289.467 3.455 20 30 CGEDLP C=CCC[C@@H](C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001258736567 807582374 /nfs/dbraw/zinc/58/23/74/807582374.db2.gz WILMURYFXHQPDP-CYBMUJFWSA-N 2 2 277.387 3.134 20 30 CGEDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171189409 808004334 /nfs/dbraw/zinc/00/43/34/808004334.db2.gz FTSXQEXRCTXXMJ-DLBZAZTESA-N 2 2 299.462 3.199 20 30 CGEDLP C#Cc1cc(Nc2ccc(C[NH+]3CCCCC3)cc2)cc[nH+]1 ZINC001175361398 809379331 /nfs/dbraw/zinc/37/93/31/809379331.db2.gz KNSAJVCMKZBVME-UHFFFAOYSA-N 2 2 291.398 3.214 20 30 CGEDLP C=CCCCCCCCC[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204903773 812769721 /nfs/dbraw/zinc/76/97/21/812769721.db2.gz DJKDKAKVZNFWSN-OAHLLOKOSA-N 2 2 250.430 3.326 20 30 CGEDLP C=CCCCCCCCC[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204903773 812769727 /nfs/dbraw/zinc/76/97/27/812769727.db2.gz DJKDKAKVZNFWSN-OAHLLOKOSA-N 2 2 250.430 3.326 20 30 CGEDLP CCCCCCCC[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206337293 813293838 /nfs/dbraw/zinc/29/38/38/813293838.db2.gz SBKTZWHAVSIFIU-OAHLLOKOSA-N 2 2 258.425 3.500 20 30 CGEDLP CCCCCCCC[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206337293 813293845 /nfs/dbraw/zinc/29/38/45/813293845.db2.gz SBKTZWHAVSIFIU-OAHLLOKOSA-N 2 2 258.425 3.500 20 30 CGEDLP C=CC[NH2+]CC[NH+]1CCC2(CCCc3ccccc32)CC1 ZINC001222615980 816478956 /nfs/dbraw/zinc/47/89/56/816478956.db2.gz UVIMPGPRLRKVJH-UHFFFAOYSA-N 2 2 284.447 3.132 20 30 CGEDLP CCCCCCCCC[N@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001236336507 819428519 /nfs/dbraw/zinc/42/85/19/819428519.db2.gz YLAJFYQKXBTJFE-MRXNPFEDSA-N 2 2 270.461 3.047 20 30 CGEDLP CCCCCCCCC[N@@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001236336507 819428521 /nfs/dbraw/zinc/42/85/21/819428521.db2.gz YLAJFYQKXBTJFE-MRXNPFEDSA-N 2 2 270.461 3.047 20 30 CGEDLP CC(C)[N@H+](Cc1ccc(C#N)c(F)c1)C1CC[NH+](C)CC1 ZINC001139531363 931953802 /nfs/dbraw/zinc/95/38/02/931953802.db2.gz XUYUMVXFCQFLKP-UHFFFAOYSA-N 2 2 289.398 3.002 20 30 CGEDLP CC(C)[N@@H+](Cc1ccc(C#N)c(F)c1)C1CC[NH+](C)CC1 ZINC001139531363 931953806 /nfs/dbraw/zinc/95/38/06/931953806.db2.gz XUYUMVXFCQFLKP-UHFFFAOYSA-N 2 2 289.398 3.002 20 30 CGEDLP C=CC(C)(C)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001333998103 936078869 /nfs/dbraw/zinc/07/88/69/936078869.db2.gz AWSJBHJBYBPGEC-UHFFFAOYSA-N 2 2 284.363 3.117 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000651681499 398268584 /nfs/dbraw/zinc/26/85/84/398268584.db2.gz QSUOEFDKOIVPSH-AEFFLSMTSA-N 2 2 299.462 3.380 20 30 CGEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000591577797 346930335 /nfs/dbraw/zinc/93/03/35/346930335.db2.gz HQFLJVKQONQJLC-FUHWJXTLSA-N 2 2 283.419 3.057 20 30 CGEDLP Cc1cc(C#N)ccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000318388244 346487063 /nfs/dbraw/zinc/48/70/63/346487063.db2.gz DEZXWUOROGPKEI-UHFFFAOYSA-N 2 2 297.446 3.317 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000405216995 346603478 /nfs/dbraw/zinc/60/34/78/346603478.db2.gz ITSUNYCBXPLDRO-WBVHZDCISA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000405216995 346603481 /nfs/dbraw/zinc/60/34/81/346603481.db2.gz ITSUNYCBXPLDRO-WBVHZDCISA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C[NH2+]1 ZINC000600711139 347829312 /nfs/dbraw/zinc/82/93/12/347829312.db2.gz RGOCLPVLUKMBNV-QBIMZIAESA-N 2 2 283.419 3.056 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000602617846 347995505 /nfs/dbraw/zinc/99/55/05/347995505.db2.gz OQVBYKDYAVGPNZ-NUJGCVRESA-N 2 2 285.435 3.036 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602617846 347995508 /nfs/dbraw/zinc/99/55/08/347995508.db2.gz OQVBYKDYAVGPNZ-NUJGCVRESA-N 2 2 285.435 3.036 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000602623664 347995980 /nfs/dbraw/zinc/99/59/80/347995980.db2.gz YLPCMBDLECQGNK-VQIMIIECSA-N 2 2 299.462 3.426 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000602623664 347995982 /nfs/dbraw/zinc/99/59/82/347995982.db2.gz YLPCMBDLECQGNK-VQIMIIECSA-N 2 2 299.462 3.426 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000602714258 348015723 /nfs/dbraw/zinc/01/57/23/348015723.db2.gz YAGZVHCHMYTWES-AEFFLSMTSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000602714258 348015724 /nfs/dbraw/zinc/01/57/24/348015724.db2.gz YAGZVHCHMYTWES-AEFFLSMTSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602543364 347979084 /nfs/dbraw/zinc/97/90/84/347979084.db2.gz CBLWLMCXWFOBEY-GSHBMFQSSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602543364 347979087 /nfs/dbraw/zinc/97/90/87/347979087.db2.gz CBLWLMCXWFOBEY-GSHBMFQSSA-N 2 2 297.446 3.494 20 30 CGEDLP N#CCC1(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000602823316 348033941 /nfs/dbraw/zinc/03/39/41/348033941.db2.gz CPSWOOVVZRDQEE-HNNXBMFYSA-N 2 2 298.434 3.093 20 30 CGEDLP N#CCC1(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000602823316 348033944 /nfs/dbraw/zinc/03/39/44/348033944.db2.gz CPSWOOVVZRDQEE-HNNXBMFYSA-N 2 2 298.434 3.093 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980939 348051187 /nfs/dbraw/zinc/05/11/87/348051187.db2.gz XQGFLMLXVOYWQO-YJBOKZPZSA-N 2 2 294.402 3.305 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980939 348051191 /nfs/dbraw/zinc/05/11/91/348051191.db2.gz XQGFLMLXVOYWQO-YJBOKZPZSA-N 2 2 294.402 3.305 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2F)CC1 ZINC000177905426 189078440 /nfs/dbraw/zinc/07/84/40/189078440.db2.gz SHMVMWJYZVYFKS-CYBMUJFWSA-N 2 2 292.398 3.135 20 30 CGEDLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(C#N)cc1 ZINC000181867093 189309246 /nfs/dbraw/zinc/30/92/46/189309246.db2.gz JDQFPZQZBVRERD-AWEZNQCLSA-N 2 2 280.375 3.106 20 30 CGEDLP C=CCOc1ccccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000093644294 370150437 /nfs/dbraw/zinc/15/04/37/370150437.db2.gz WKVHWKWSVGIJNV-RDJZCZTQSA-N 2 2 288.435 3.166 20 30 CGEDLP C=CCOc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000093644294 370150443 /nfs/dbraw/zinc/15/04/43/370150443.db2.gz WKVHWKWSVGIJNV-RDJZCZTQSA-N 2 2 288.435 3.166 20 30 CGEDLP C=CCOc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093644294 370150448 /nfs/dbraw/zinc/15/04/48/370150448.db2.gz WKVHWKWSVGIJNV-RDJZCZTQSA-N 2 2 288.435 3.166 20 30 CGEDLP C=CCOc1ccccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093644294 370150454 /nfs/dbraw/zinc/15/04/54/370150454.db2.gz WKVHWKWSVGIJNV-RDJZCZTQSA-N 2 2 288.435 3.166 20 30 CGEDLP C=CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000093644292 370151081 /nfs/dbraw/zinc/15/10/81/370151081.db2.gz WKVHWKWSVGIJNV-DOTOQJQBSA-N 2 2 288.435 3.166 20 30 CGEDLP C=CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000093644292 370151086 /nfs/dbraw/zinc/15/10/86/370151086.db2.gz WKVHWKWSVGIJNV-DOTOQJQBSA-N 2 2 288.435 3.166 20 30 CGEDLP C=CCOc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093644292 370151093 /nfs/dbraw/zinc/15/10/93/370151093.db2.gz WKVHWKWSVGIJNV-DOTOQJQBSA-N 2 2 288.435 3.166 20 30 CGEDLP C=CCOc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000093644292 370151100 /nfs/dbraw/zinc/15/11/00/370151100.db2.gz WKVHWKWSVGIJNV-DOTOQJQBSA-N 2 2 288.435 3.166 20 30 CGEDLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)C1CC1 ZINC000442853296 373105971 /nfs/dbraw/zinc/10/59/71/373105971.db2.gz MKKRCRIDENGZRR-YTQUADARSA-N 2 2 297.446 3.179 20 30 CGEDLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)C1CC1 ZINC000442853296 373105974 /nfs/dbraw/zinc/10/59/74/373105974.db2.gz MKKRCRIDENGZRR-YTQUADARSA-N 2 2 297.446 3.179 20 30 CGEDLP C=CCC[C@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C1CC1 ZINC000447575893 373454714 /nfs/dbraw/zinc/45/47/14/373454714.db2.gz ZSQZZEKLPMMPIW-INIZCTEOSA-N 2 2 264.457 3.443 20 30 CGEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C1CC1 ZINC000447575893 373454719 /nfs/dbraw/zinc/45/47/19/373454719.db2.gz ZSQZZEKLPMMPIW-INIZCTEOSA-N 2 2 264.457 3.443 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000449127090 373664089 /nfs/dbraw/zinc/66/40/89/373664089.db2.gz WCCAWDGRGJWLOU-UXLLHSPISA-N 2 2 264.457 3.441 20 30 CGEDLP CC1(C)CCC[N@H+](CC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449284432 373676350 /nfs/dbraw/zinc/67/63/50/373676350.db2.gz OZLSKMWIMXUUGA-UHFFFAOYSA-N 2 2 277.456 3.170 20 30 CGEDLP CC1(C)CCC[N@@H+](CC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449284432 373676356 /nfs/dbraw/zinc/67/63/56/373676356.db2.gz OZLSKMWIMXUUGA-UHFFFAOYSA-N 2 2 277.456 3.170 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000515979246 375816140 /nfs/dbraw/zinc/81/61/40/375816140.db2.gz WXTQGSILIXSGAY-DZKIICNBSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000515979246 375816145 /nfs/dbraw/zinc/81/61/45/375816145.db2.gz WXTQGSILIXSGAY-DZKIICNBSA-N 2 2 250.430 3.194 20 30 CGEDLP C[C@H]1CC[N@H+](CC(C)(C)CCC#N)C[C@H]1n1cc[nH+]c1 ZINC000245752665 376901128 /nfs/dbraw/zinc/90/11/28/376901128.db2.gz HGPOHGRJFQVARZ-LSDHHAIUSA-N 2 2 274.412 3.096 20 30 CGEDLP C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@H]1n1cc[nH+]c1 ZINC000245752665 376901136 /nfs/dbraw/zinc/90/11/36/376901136.db2.gz HGPOHGRJFQVARZ-LSDHHAIUSA-N 2 2 274.412 3.096 20 30 CGEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248852130 377412259 /nfs/dbraw/zinc/41/22/59/377412259.db2.gz OWUVKBRPSUCPIZ-KBAYOESNSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248852130 377412266 /nfs/dbraw/zinc/41/22/66/377412266.db2.gz OWUVKBRPSUCPIZ-KBAYOESNSA-N 2 2 285.435 3.179 20 30 CGEDLP Cc1ccc2[nH+]cc(C[NH2+]CC(C)(C)CCC#N)n2c1 ZINC000342315748 377641471 /nfs/dbraw/zinc/64/14/71/377641471.db2.gz ZQXAWYTUEIVMQM-UHFFFAOYSA-N 2 2 270.380 3.062 20 30 CGEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272919088 378722482 /nfs/dbraw/zinc/72/24/82/378722482.db2.gz RKHXXWOMAUKAGR-GOEBONIOSA-N 2 2 278.827 3.382 20 30 CGEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272919088 378722485 /nfs/dbraw/zinc/72/24/85/378722485.db2.gz RKHXXWOMAUKAGR-GOEBONIOSA-N 2 2 278.827 3.382 20 30 CGEDLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000278315023 379342928 /nfs/dbraw/zinc/34/29/28/379342928.db2.gz UIWAOHNOEBDYIK-OKZBNKHCSA-N 2 2 283.419 3.226 20 30 CGEDLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000278315023 379342933 /nfs/dbraw/zinc/34/29/33/379342933.db2.gz UIWAOHNOEBDYIK-OKZBNKHCSA-N 2 2 283.419 3.226 20 30 CGEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000414310883 380212849 /nfs/dbraw/zinc/21/28/49/380212849.db2.gz XHXZGCMEJGLDKV-NXHRZFHOSA-N 2 2 284.447 3.389 20 30 CGEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000414310883 380212854 /nfs/dbraw/zinc/21/28/54/380212854.db2.gz XHXZGCMEJGLDKV-NXHRZFHOSA-N 2 2 284.447 3.389 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCCC(F)(F)F)CC1 ZINC000359643063 381359217 /nfs/dbraw/zinc/35/92/17/381359217.db2.gz UCWFATFIRPZGMD-GFCCVEGCSA-N 2 2 278.362 3.348 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000237359859 131025780 /nfs/dbraw/zinc/02/57/80/131025780.db2.gz PLEGYQBQXGCIIB-CJNGLKHVSA-N 2 2 274.408 3.143 20 30 CGEDLP C[NH+](C)CCOc1ccc([NH2+]CC(C)(C)CCC#N)cc1 ZINC000135189058 392474137 /nfs/dbraw/zinc/47/41/37/392474137.db2.gz PGKSYVSFJHPTKQ-UHFFFAOYSA-N 2 2 289.423 3.369 20 30 CGEDLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000339095795 392949433 /nfs/dbraw/zinc/94/94/33/392949433.db2.gz ILPUJXVBMLVEQE-FHWLQOOXSA-N 2 2 299.462 3.425 20 30 CGEDLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000339095795 392949443 /nfs/dbraw/zinc/94/94/43/392949443.db2.gz ILPUJXVBMLVEQE-FHWLQOOXSA-N 2 2 299.462 3.425 20 30 CGEDLP Clc1ccc(C#CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000674249600 543276763 /nfs/dbraw/zinc/27/67/63/543276763.db2.gz BNPGSIOAAUXAJC-QGZVFWFLSA-N 2 2 299.805 3.225 20 30 CGEDLP Clc1ccc(C#CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000674249600 543276766 /nfs/dbraw/zinc/27/67/66/543276766.db2.gz BNPGSIOAAUXAJC-QGZVFWFLSA-N 2 2 299.805 3.225 20 30 CGEDLP Clc1cccc(C#CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000676558733 543405107 /nfs/dbraw/zinc/40/51/07/543405107.db2.gz QIBFCPBYICHBTM-QGZVFWFLSA-N 2 2 299.805 3.225 20 30 CGEDLP Clc1cccc(C#CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000676558733 543405109 /nfs/dbraw/zinc/40/51/09/543405109.db2.gz QIBFCPBYICHBTM-QGZVFWFLSA-N 2 2 299.805 3.225 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655851185 419121751 /nfs/dbraw/zinc/12/17/51/419121751.db2.gz QFHKIBBKELKHSZ-QZWWFDLISA-N 2 2 262.441 3.338 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655851185 419121755 /nfs/dbraw/zinc/12/17/55/419121755.db2.gz QFHKIBBKELKHSZ-QZWWFDLISA-N 2 2 262.441 3.338 20 30 CGEDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449289858 260366575 /nfs/dbraw/zinc/36/65/75/260366575.db2.gz CIHFPEDWFMOBSU-CKDBGZEDSA-N 2 2 277.456 3.169 20 30 CGEDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449289858 260366576 /nfs/dbraw/zinc/36/65/76/260366576.db2.gz CIHFPEDWFMOBSU-CKDBGZEDSA-N 2 2 277.456 3.169 20 30 CGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340441817 263150272 /nfs/dbraw/zinc/15/02/72/263150272.db2.gz DPGFBXQSPUEOLD-LZQZEXGQSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340441817 263150274 /nfs/dbraw/zinc/15/02/74/263150274.db2.gz DPGFBXQSPUEOLD-LZQZEXGQSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000294970417 263170021 /nfs/dbraw/zinc/17/00/21/263170021.db2.gz FRJWAUWJNHLNCT-PBWTXFEYSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000294970417 263170023 /nfs/dbraw/zinc/17/00/23/263170023.db2.gz FRJWAUWJNHLNCT-PBWTXFEYSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000528010839 270151058 /nfs/dbraw/zinc/15/10/58/270151058.db2.gz KBPXNILNRIQHMY-RDTXWAMCSA-N 2 2 283.419 3.226 20 30 CGEDLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000528010839 270151059 /nfs/dbraw/zinc/15/10/59/270151059.db2.gz KBPXNILNRIQHMY-RDTXWAMCSA-N 2 2 283.419 3.226 20 30 CGEDLP C=CCC[C@@H](CCC)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367435568 267090407 /nfs/dbraw/zinc/09/04/07/267090407.db2.gz CBSIYJKEDLZJTM-CQSZACIVSA-N 2 2 261.413 3.444 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000418140807 267362608 /nfs/dbraw/zinc/36/26/08/267362608.db2.gz KFBJPQPEAAPASU-WMZOPIPTSA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000418140807 267362610 /nfs/dbraw/zinc/36/26/10/267362610.db2.gz KFBJPQPEAAPASU-WMZOPIPTSA-N 2 2 297.446 3.323 20 30 CGEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000414311653 328154502 /nfs/dbraw/zinc/15/45/02/328154502.db2.gz YRTYCLGJROLDAM-KVSKMBFKSA-N 2 2 284.447 3.246 20 30 CGEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000414311653 328154503 /nfs/dbraw/zinc/15/45/03/328154503.db2.gz YRTYCLGJROLDAM-KVSKMBFKSA-N 2 2 284.447 3.246 20 30 CGEDLP C=C(C)[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000187773647 329360822 /nfs/dbraw/zinc/36/08/22/329360822.db2.gz VCMPOFGOEBNUFZ-HNNXBMFYSA-N 2 2 277.318 3.068 20 30 CGEDLP C=CC[NH+]1CCC(Nc2[nH+]ccc3ccccc32)CC1 ZINC000527882161 330291709 /nfs/dbraw/zinc/29/17/09/330291709.db2.gz QZMYATNKLOZIGV-UHFFFAOYSA-N 2 2 267.376 3.297 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000449126106 330900623 /nfs/dbraw/zinc/90/06/23/330900623.db2.gz UMJRNDKKOVZOJM-SQWLQELKSA-N 2 2 250.430 3.051 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000578593632 335652108 /nfs/dbraw/zinc/65/21/08/335652108.db2.gz ZORLULXGZQCOLN-AWEZNQCLSA-N 2 2 261.413 3.444 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3C)CC1 ZINC000361219845 500571199 /nfs/dbraw/zinc/57/11/99/500571199.db2.gz HDHWWSSEQQYORR-GOSISDBHSA-N 2 2 270.420 3.222 20 30 CGEDLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000895376241 619816064 /nfs/dbraw/zinc/81/60/64/619816064.db2.gz GRQWWOQEAIYUKC-CJNGLKHVSA-N 2 2 291.464 3.172 20 30 CGEDLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000895376241 619816068 /nfs/dbraw/zinc/81/60/68/619816068.db2.gz GRQWWOQEAIYUKC-CJNGLKHVSA-N 2 2 291.464 3.172 20 30 CGEDLP CC(C)(CCC#N)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896198706 619964873 /nfs/dbraw/zinc/96/48/73/619964873.db2.gz SJLDRIZYJDRBDZ-UHFFFAOYSA-N 2 2 286.423 3.288 20 30 CGEDLP C[N@H+](CCC[NH2+]Cc1csc(C#N)c1)C1CCCCC1 ZINC000921500470 625446409 /nfs/dbraw/zinc/44/64/09/625446409.db2.gz CYNVFKCMHKCDIH-UHFFFAOYSA-N 2 2 291.464 3.364 20 30 CGEDLP C[N@@H+](CCC[NH2+]Cc1csc(C#N)c1)C1CCCCC1 ZINC000921500470 625446412 /nfs/dbraw/zinc/44/64/12/625446412.db2.gz CYNVFKCMHKCDIH-UHFFFAOYSA-N 2 2 291.464 3.364 20 30 CGEDLP CC[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000902484209 621352492 /nfs/dbraw/zinc/35/24/92/621352492.db2.gz USBYTJHPZNNOOC-DLBZAZTESA-N 2 2 271.408 3.131 20 30 CGEDLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000774207049 627963564 /nfs/dbraw/zinc/96/35/64/627963564.db2.gz FQMNHLUADMHLSI-PBHICJAKSA-N 2 2 271.408 3.083 20 30 CGEDLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000774207049 627963566 /nfs/dbraw/zinc/96/35/66/627963566.db2.gz FQMNHLUADMHLSI-PBHICJAKSA-N 2 2 271.408 3.083 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3c(F)cccc32)CC1 ZINC000866261357 633049588 /nfs/dbraw/zinc/04/95/88/633049588.db2.gz TXGKIELISOGOSR-GOSISDBHSA-N 2 2 288.410 3.443 20 30 CGEDLP C#CC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000829810536 633792271 /nfs/dbraw/zinc/79/22/71/633792271.db2.gz QVNJDEIVVVGHPM-KRWDZBQOSA-N 2 2 293.414 3.416 20 30 CGEDLP C#CC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000829810536 633792278 /nfs/dbraw/zinc/79/22/78/633792278.db2.gz QVNJDEIVVVGHPM-KRWDZBQOSA-N 2 2 293.414 3.416 20 30 CGEDLP C#CCCCCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000876620720 634869703 /nfs/dbraw/zinc/86/97/03/634869703.db2.gz RAKRVQPZOMHWAX-HNNXBMFYSA-N 2 2 259.397 3.173 20 30 CGEDLP C#CCCCCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000876620720 634869705 /nfs/dbraw/zinc/86/97/05/634869705.db2.gz RAKRVQPZOMHWAX-HNNXBMFYSA-N 2 2 259.397 3.173 20 30 CGEDLP C=CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000883218365 636593463 /nfs/dbraw/zinc/59/34/63/636593463.db2.gz YXRGMKFRBKZAJA-ROUUACIJSA-N 2 2 295.430 3.365 20 30 CGEDLP CC[C@H]([NH2+]CCC[NH+](CC)CC)c1cccc(C#N)c1O ZINC000924528944 638351186 /nfs/dbraw/zinc/35/11/86/638351186.db2.gz RXIIXZOBSGZYAT-INIZCTEOSA-N 2 2 289.423 3.036 20 30 CGEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(C#N)c2)CC[N@@H+]1C ZINC000929783697 638951268 /nfs/dbraw/zinc/95/12/68/638951268.db2.gz YPSQOIYJVDUMSL-LRDDRELGSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(C#N)c2)CC[N@H+]1C ZINC000929783697 638951269 /nfs/dbraw/zinc/95/12/69/638951269.db2.gz YPSQOIYJVDUMSL-LRDDRELGSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)CC[NH+]1C ZINC000929783697 638951272 /nfs/dbraw/zinc/95/12/72/638951272.db2.gz YPSQOIYJVDUMSL-LRDDRELGSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)CC[NH+]1C ZINC000929783697 638951275 /nfs/dbraw/zinc/95/12/75/638951275.db2.gz YPSQOIYJVDUMSL-LRDDRELGSA-N 2 2 291.826 3.126 20 30 CGEDLP Cc1cccc(NC(=[NH2+])NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000303704340 640839059 /nfs/dbraw/zinc/83/90/59/640839059.db2.gz KBOUQZYPYHOFRO-QGZVFWFLSA-N 2 2 296.418 3.025 20 30 CGEDLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(C)(C)C#N)cc1 ZINC000348216329 799302414 /nfs/dbraw/zinc/30/24/14/799302414.db2.gz ACSBAZJLSDCOSC-CYBMUJFWSA-N 2 2 282.391 3.381 20 30 CGEDLP CC[NH+](CC)CC[C@@H](C)[N@H+](CCC#N)C1CCCC1 ZINC001255959970 806800154 /nfs/dbraw/zinc/80/01/54/806800154.db2.gz CALOCYCVZFBBBD-OAHLLOKOSA-N 2 2 265.445 3.265 20 30 CGEDLP CC[NH+](CC)CC[C@@H](C)[N@@H+](CCC#N)C1CCCC1 ZINC001255959970 806800162 /nfs/dbraw/zinc/80/01/62/806800162.db2.gz CALOCYCVZFBBBD-OAHLLOKOSA-N 2 2 265.445 3.265 20 30 CGEDLP N#C[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256610190 806924939 /nfs/dbraw/zinc/92/49/39/806924939.db2.gz YALJXMPKDCYIBO-KRWDZBQOSA-N 2 2 297.446 3.277 20 30 CGEDLP N#C[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256610190 806924946 /nfs/dbraw/zinc/92/49/46/806924946.db2.gz YALJXMPKDCYIBO-KRWDZBQOSA-N 2 2 297.446 3.277 20 30 CGEDLP Cc1ccc(C#N)c(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001245605669 803850316 /nfs/dbraw/zinc/85/03/16/803850316.db2.gz YXASALRKEWHEGI-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(C#N)c(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001245605669 803850325 /nfs/dbraw/zinc/85/03/25/803850325.db2.gz YXASALRKEWHEGI-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(C#N)c(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001245605556 803850546 /nfs/dbraw/zinc/85/05/46/803850546.db2.gz TYFXRRKSLVPAIR-QGZVFWFLSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(C#N)c(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001245605556 803850556 /nfs/dbraw/zinc/85/05/56/803850556.db2.gz TYFXRRKSLVPAIR-QGZVFWFLSA-N 2 2 291.398 3.067 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246036955 804101971 /nfs/dbraw/zinc/10/19/71/804101971.db2.gz VYPPDHSPLHPCBK-RCCFBDPRSA-N 2 2 296.499 3.301 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246036955 804101975 /nfs/dbraw/zinc/10/19/75/804101975.db2.gz VYPPDHSPLHPCBK-RCCFBDPRSA-N 2 2 296.499 3.301 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246036199 804102150 /nfs/dbraw/zinc/10/21/50/804102150.db2.gz SYARKPZXEMCYSS-RCCFBDPRSA-N 2 2 296.499 3.172 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246036199 804102156 /nfs/dbraw/zinc/10/21/56/804102156.db2.gz SYARKPZXEMCYSS-RCCFBDPRSA-N 2 2 296.499 3.172 20 30 CGEDLP CCCCCCCC[C@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246088557 804120381 /nfs/dbraw/zinc/12/03/81/804120381.db2.gz KZYGVPLMAXYGRL-IRXDYDNUSA-N 2 2 284.488 3.484 20 30 CGEDLP CCCCCCC[C@H](CC)[NH2+][C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001246148521 804169835 /nfs/dbraw/zinc/16/98/35/804169835.db2.gz FANCDGRINRSIDL-LUKYLMHMSA-N 2 2 282.472 3.235 20 30 CGEDLP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246610900 804444766 /nfs/dbraw/zinc/44/47/66/804444766.db2.gz CUXGODFKCCMQDB-LPHOPBHVSA-N 2 2 297.446 3.097 20 30 CGEDLP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246610900 804444770 /nfs/dbraw/zinc/44/47/70/804444770.db2.gz CUXGODFKCCMQDB-LPHOPBHVSA-N 2 2 297.446 3.097 20 30 CGEDLP N#Cc1ccc(C2CCC([N@@H+]3CC[C@H]4C[C@@]4([NH3+])C3)CC2)cc1 ZINC001246654261 804480638 /nfs/dbraw/zinc/48/06/38/804480638.db2.gz JJPOOWNRAWLTQK-VLOYRQLPSA-N 2 2 295.430 3.008 20 30 CGEDLP N#Cc1ccc(C2CCC([N@H+]3CC[C@H]4C[C@@]4([NH3+])C3)CC2)cc1 ZINC001246654261 804480642 /nfs/dbraw/zinc/48/06/42/804480642.db2.gz JJPOOWNRAWLTQK-VLOYRQLPSA-N 2 2 295.430 3.008 20 30 CGEDLP CCCC[C@H]1C[C@@H]([N@@H+](CCC#N)CCCC)CC[NH2+]1 ZINC001246770257 804502598 /nfs/dbraw/zinc/50/25/98/804502598.db2.gz OWITWZFSUSOWNA-HOTGVXAUSA-N 2 2 265.445 3.313 20 30 CGEDLP CCCC[C@H]1C[C@@H]([N@H+](CCC#N)CCCC)CC[NH2+]1 ZINC001246770257 804502604 /nfs/dbraw/zinc/50/26/04/804502604.db2.gz OWITWZFSUSOWNA-HOTGVXAUSA-N 2 2 265.445 3.313 20 30 CGEDLP CC(C)(C)C#CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258136917 807320392 /nfs/dbraw/zinc/32/03/92/807320392.db2.gz ZHRNOROCGWHUTK-UHFFFAOYSA-N 2 2 298.474 3.333 20 30 CGEDLP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001171222919 808012079 /nfs/dbraw/zinc/01/20/79/808012079.db2.gz JKSJNTPTZHNPTM-HNNXBMFYSA-N 2 2 294.402 3.023 20 30 CGEDLP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001171229912 808014260 /nfs/dbraw/zinc/01/42/60/808014260.db2.gz ROBIMJBOYUAXEQ-OAHLLOKOSA-N 2 2 297.446 3.048 20 30 CGEDLP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001171229912 808014265 /nfs/dbraw/zinc/01/42/65/808014265.db2.gz ROBIMJBOYUAXEQ-OAHLLOKOSA-N 2 2 297.446 3.048 20 30 CGEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001204369880 812622883 /nfs/dbraw/zinc/62/28/83/812622883.db2.gz HYJWRKCXKLIUJZ-LJQANCHMSA-N 2 2 297.446 3.399 20 30 CGEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001204369880 812622889 /nfs/dbraw/zinc/62/28/89/812622889.db2.gz HYJWRKCXKLIUJZ-LJQANCHMSA-N 2 2 297.446 3.399 20 30 CGEDLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c(C#N)c1 ZINC001242593688 823051144 /nfs/dbraw/zinc/05/11/44/823051144.db2.gz XIUKOXGCAZRDGF-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c(C#N)c1 ZINC001242593688 823051150 /nfs/dbraw/zinc/05/11/50/823051150.db2.gz XIUKOXGCAZRDGF-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP C=CCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001209160791 813952012 /nfs/dbraw/zinc/95/20/12/813952012.db2.gz CCUUNVHCGNMYRG-LSDHHAIUSA-N 2 2 291.464 3.006 20 30 CGEDLP C=CCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001209160791 813952015 /nfs/dbraw/zinc/95/20/15/813952015.db2.gz CCUUNVHCGNMYRG-LSDHHAIUSA-N 2 2 291.464 3.006 20 30 CGEDLP C=CCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001209160791 813952018 /nfs/dbraw/zinc/95/20/18/813952018.db2.gz CCUUNVHCGNMYRG-LSDHHAIUSA-N 2 2 291.464 3.006 20 30 CGEDLP C=CCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001209160791 813952020 /nfs/dbraw/zinc/95/20/20/813952020.db2.gz CCUUNVHCGNMYRG-LSDHHAIUSA-N 2 2 291.464 3.006 20 30 CGEDLP C=CCCCCCCCC[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001222360070 816419339 /nfs/dbraw/zinc/41/93/39/816419339.db2.gz GECFAFFHQQWAEG-SFHVURJKSA-N 2 2 294.483 3.358 20 30 CGEDLP C=CCCCCCCCC[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001222360070 816419341 /nfs/dbraw/zinc/41/93/41/816419341.db2.gz GECFAFFHQQWAEG-SFHVURJKSA-N 2 2 294.483 3.358 20 30 CGEDLP C=CC[NH2+]CC[NH+]1CCC2(CCc3ccc(C)cc32)CC1 ZINC001235606425 819125398 /nfs/dbraw/zinc/12/53/98/819125398.db2.gz GBKMQOKDTBGYDG-UHFFFAOYSA-N 2 2 284.447 3.050 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@@H+](CC)[C@@H]2CCC[NH2+]C2)CC1 ZINC001236003644 819268729 /nfs/dbraw/zinc/26/87/29/819268729.db2.gz AJRYNCQBJJFMHI-IAGOWNOFSA-N 2 2 262.441 3.363 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@H+](CC)[C@@H]2CCC[NH2+]C2)CC1 ZINC001236003644 819268736 /nfs/dbraw/zinc/26/87/36/819268736.db2.gz AJRYNCQBJJFMHI-IAGOWNOFSA-N 2 2 262.441 3.363 20 30 CGEDLP C=CC[NH2+]CC[N@H+](Cc1ccccc1)C1CCSCC1 ZINC001236265776 819410773 /nfs/dbraw/zinc/41/07/73/819410773.db2.gz MEXLJAYCWMFVDC-UHFFFAOYSA-N 2 2 290.476 3.160 20 30 CGEDLP C=CC[NH2+]CC[N@@H+](Cc1ccccc1)C1CCSCC1 ZINC001236265776 819410777 /nfs/dbraw/zinc/41/07/77/819410777.db2.gz MEXLJAYCWMFVDC-UHFFFAOYSA-N 2 2 290.476 3.160 20 30 CGEDLP CCc1cc(C#N)ccc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237160893 819684435 /nfs/dbraw/zinc/68/44/35/819684435.db2.gz LTSJIZUSDLYGBD-IBGZPJMESA-N 2 2 297.446 3.227 20 30 CGEDLP CCc1cc(C#N)ccc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237160893 819684438 /nfs/dbraw/zinc/68/44/38/819684438.db2.gz LTSJIZUSDLYGBD-IBGZPJMESA-N 2 2 297.446 3.227 20 30 CGEDLP C=CCC[C@H](CC)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001560929706 938284627 /nfs/dbraw/zinc/28/46/27/938284627.db2.gz GYXXURRYGSIPEX-CVEARBPZSA-N 2 2 252.446 3.441 20 30 CGEDLP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000591639825 346931300 /nfs/dbraw/zinc/93/13/00/346931300.db2.gz RXFWBRPYZAZCJA-KSZLIROESA-N 2 2 297.446 3.321 20 30 CGEDLP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000591639825 346931305 /nfs/dbraw/zinc/93/13/05/346931305.db2.gz RXFWBRPYZAZCJA-KSZLIROESA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCC1 ZINC000593695914 347104664 /nfs/dbraw/zinc/10/46/64/347104664.db2.gz WIFYZRWDYTWVNY-HNNXBMFYSA-N 2 2 297.446 3.301 20 30 CGEDLP CC[C@@H](C)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693352 347105077 /nfs/dbraw/zinc/10/50/77/347105077.db2.gz VUPIBYFOJOVZGU-OAHLLOKOSA-N 2 2 285.435 3.158 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)C[N@@H+]1C1CC1 ZINC000594514658 347184698 /nfs/dbraw/zinc/18/46/98/347184698.db2.gz KSZQABLXVUISRF-WMLDXEAASA-N 2 2 295.430 3.152 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)C[N@H+]1C1CC1 ZINC000594514658 347184699 /nfs/dbraw/zinc/18/46/99/347184699.db2.gz KSZQABLXVUISRF-WMLDXEAASA-N 2 2 295.430 3.152 20 30 CGEDLP C[C@H]1C[C@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)C[N@@H+]1C1CC1 ZINC000594514659 347184783 /nfs/dbraw/zinc/18/47/83/347184783.db2.gz KSZQABLXVUISRF-YOEHRIQHSA-N 2 2 295.430 3.152 20 30 CGEDLP C[C@H]1C[C@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)C[N@H+]1C1CC1 ZINC000594514659 347184787 /nfs/dbraw/zinc/18/47/87/347184787.db2.gz KSZQABLXVUISRF-YOEHRIQHSA-N 2 2 295.430 3.152 20 30 CGEDLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(C#N)CCCCC1 ZINC000594740614 347215916 /nfs/dbraw/zinc/21/59/16/347215916.db2.gz ZWHGANLOIOCBKN-HZPDHXFCSA-N 2 2 277.456 3.361 20 30 CGEDLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(C#N)CCCCC1 ZINC000596650113 347498572 /nfs/dbraw/zinc/49/85/72/347498572.db2.gz GRBKICFPINIUEF-WBVHZDCISA-N 2 2 285.435 3.009 20 30 CGEDLP Cc1[nH+]cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n1C ZINC000596979200 347523910 /nfs/dbraw/zinc/52/39/10/347523910.db2.gz IPEIMMCMHIYAQO-UHFFFAOYSA-N 2 2 282.391 3.011 20 30 CGEDLP Cc1[nH+]cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1C ZINC000596979200 347523912 /nfs/dbraw/zinc/52/39/12/347523912.db2.gz IPEIMMCMHIYAQO-UHFFFAOYSA-N 2 2 282.391 3.011 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000602504688 347971660 /nfs/dbraw/zinc/97/16/60/347971660.db2.gz BLFMCIKWDRRWDH-MRXNPFEDSA-N 2 2 299.462 3.353 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000602504688 347971662 /nfs/dbraw/zinc/97/16/62/347971662.db2.gz BLFMCIKWDRRWDH-MRXNPFEDSA-N 2 2 299.462 3.353 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000602506485 347972339 /nfs/dbraw/zinc/97/23/39/347972339.db2.gz XVNCKOQRVPCECF-SJLPKXTDSA-N 2 2 285.435 3.353 20 30 CGEDLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)c3cccc(C#N)c3)n2c1 ZINC000610932076 348410714 /nfs/dbraw/zinc/41/07/14/348410714.db2.gz GEMBRKRZVCRXEJ-CQSZACIVSA-N 2 2 290.370 3.365 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000611390597 348444608 /nfs/dbraw/zinc/44/46/08/348444608.db2.gz KBPPQOGYFXDXMA-OTWHNJEPSA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000611390597 348444611 /nfs/dbraw/zinc/44/46/11/348444611.db2.gz KBPPQOGYFXDXMA-OTWHNJEPSA-N 2 2 295.430 3.152 20 30 CGEDLP C=CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cccs1 ZINC000163406845 372466678 /nfs/dbraw/zinc/46/66/78/372466678.db2.gz GZAHSMIYMOUZEK-CQSZACIVSA-N 2 2 264.438 3.220 20 30 CGEDLP C=CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cccs1 ZINC000163406845 372466688 /nfs/dbraw/zinc/46/66/88/372466688.db2.gz GZAHSMIYMOUZEK-CQSZACIVSA-N 2 2 264.438 3.220 20 30 CGEDLP C=CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cccs1 ZINC000163406845 372466693 /nfs/dbraw/zinc/46/66/93/372466693.db2.gz GZAHSMIYMOUZEK-CQSZACIVSA-N 2 2 264.438 3.220 20 30 CGEDLP C=CC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cccs1 ZINC000163406845 372466702 /nfs/dbraw/zinc/46/67/02/372466702.db2.gz GZAHSMIYMOUZEK-CQSZACIVSA-N 2 2 264.438 3.220 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CC(C)(C)C#N ZINC000433297103 372585213 /nfs/dbraw/zinc/58/52/13/372585213.db2.gz VETGQSCXWDPCIZ-UHFFFAOYSA-N 2 2 282.391 3.162 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CC(C)(C)C#N ZINC000433297103 372585223 /nfs/dbraw/zinc/58/52/23/372585223.db2.gz VETGQSCXWDPCIZ-UHFFFAOYSA-N 2 2 282.391 3.162 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173398356 373135593 /nfs/dbraw/zinc/13/55/93/373135593.db2.gz PFYLFLCRYIMSOD-LBPRGKRZSA-N 2 2 280.362 3.266 20 30 CGEDLP C=CC(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449485009 373774339 /nfs/dbraw/zinc/77/43/39/373774339.db2.gz KBXDDCPIIHCQCI-UHFFFAOYSA-N 2 2 297.446 3.324 20 30 CGEDLP C[C@@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000185831315 374747629 /nfs/dbraw/zinc/74/76/29/374747629.db2.gz DQMCTKJMFKHNFA-RYQLBKOJSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000185831315 374747633 /nfs/dbraw/zinc/74/76/33/374747633.db2.gz DQMCTKJMFKHNFA-RYQLBKOJSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000185686600 374714778 /nfs/dbraw/zinc/71/47/78/374714778.db2.gz IZVNNOXTGUDXMD-DNVCBOLYSA-N 2 2 293.414 3.339 20 30 CGEDLP C=C(C)COCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000246290452 377004386 /nfs/dbraw/zinc/00/43/86/377004386.db2.gz AUQSQOZVVCQNDP-FUHWJXTLSA-N 2 2 288.435 3.004 20 30 CGEDLP C=C(C)COCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000246290452 377004391 /nfs/dbraw/zinc/00/43/91/377004391.db2.gz AUQSQOZVVCQNDP-FUHWJXTLSA-N 2 2 288.435 3.004 20 30 CGEDLP Clc1cccc(C#CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000269612508 378242449 /nfs/dbraw/zinc/24/24/49/378242449.db2.gz FRQJBWOSSOBMTQ-HNNXBMFYSA-N 2 2 299.805 3.294 20 30 CGEDLP Clc1cccc(C#CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000269612508 378242455 /nfs/dbraw/zinc/24/24/55/378242455.db2.gz FRQJBWOSSOBMTQ-HNNXBMFYSA-N 2 2 299.805 3.294 20 30 CGEDLP CC[C@@H](CC#N)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583935151 378359704 /nfs/dbraw/zinc/35/97/04/378359704.db2.gz RWJQEISCQWNIAG-ZWKOTPCHSA-N 2 2 297.446 3.465 20 30 CGEDLP CC[C@@H](CC#N)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583935151 378359707 /nfs/dbraw/zinc/35/97/07/378359707.db2.gz RWJQEISCQWNIAG-ZWKOTPCHSA-N 2 2 297.446 3.465 20 30 CGEDLP C[C@@H](C#N)C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346229532 378513182 /nfs/dbraw/zinc/51/31/82/378513182.db2.gz VJWIDTVYCHKBJD-LBPRGKRZSA-N 2 2 286.404 3.058 20 30 CGEDLP C[C@@H](C#N)C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346229532 378513192 /nfs/dbraw/zinc/51/31/92/378513192.db2.gz VJWIDTVYCHKBJD-LBPRGKRZSA-N 2 2 286.404 3.058 20 30 CGEDLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000271920010 378518084 /nfs/dbraw/zinc/51/80/84/378518084.db2.gz ZYIKPQDSXUDGRL-AWEZNQCLSA-N 2 2 265.360 3.155 20 30 CGEDLP C=C(C)CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000351767389 379743644 /nfs/dbraw/zinc/74/36/44/379743644.db2.gz VERITSLTEYYPMZ-AWEZNQCLSA-N 2 2 255.365 3.489 20 30 CGEDLP C=C(C)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389846134 379902609 /nfs/dbraw/zinc/90/26/09/379902609.db2.gz QJZSENBOJSTAKE-WBVHZDCISA-N 2 2 258.409 3.063 20 30 CGEDLP C=C(C)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389846134 379902614 /nfs/dbraw/zinc/90/26/14/379902614.db2.gz QJZSENBOJSTAKE-WBVHZDCISA-N 2 2 258.409 3.063 20 30 CGEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(C#N)c1F ZINC000352887047 380019832 /nfs/dbraw/zinc/01/98/32/380019832.db2.gz IXMRXSWYRYIIGH-MRXNPFEDSA-N 2 2 289.398 3.004 20 30 CGEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(C#N)c1F ZINC000352887047 380019843 /nfs/dbraw/zinc/01/98/43/380019843.db2.gz IXMRXSWYRYIIGH-MRXNPFEDSA-N 2 2 289.398 3.004 20 30 CGEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(C#N)c1F ZINC000352887047 380019848 /nfs/dbraw/zinc/01/98/48/380019848.db2.gz IXMRXSWYRYIIGH-MRXNPFEDSA-N 2 2 289.398 3.004 20 30 CGEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(C#N)c1F ZINC000352887047 380019855 /nfs/dbraw/zinc/01/98/55/380019855.db2.gz IXMRXSWYRYIIGH-MRXNPFEDSA-N 2 2 289.398 3.004 20 30 CGEDLP C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(-n2cc[nH+]c2)cc1 ZINC000414171444 380197401 /nfs/dbraw/zinc/19/74/01/380197401.db2.gz UZDXJUJKTSNBTF-AWEZNQCLSA-N 2 2 282.391 3.463 20 30 CGEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335334716 208215531 /nfs/dbraw/zinc/21/55/31/208215531.db2.gz RVTNHGNXOIQDPM-CYBMUJFWSA-N 2 2 280.375 3.222 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(C)ccn2)CC1 ZINC000285916593 392349059 /nfs/dbraw/zinc/34/90/59/392349059.db2.gz DNSUUYQAPHDTQS-OAHLLOKOSA-N 2 2 273.424 3.081 20 30 CGEDLP C=CCC[C@@H](C)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348834509 393132493 /nfs/dbraw/zinc/13/24/93/393132493.db2.gz QMAMDKGBZDRICG-CYBMUJFWSA-N 2 2 256.353 3.093 20 30 CGEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000666768243 542814331 /nfs/dbraw/zinc/81/43/31/542814331.db2.gz FDDIAFATHJADTC-AWEZNQCLSA-N 2 2 294.826 3.137 20 30 CGEDLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCC[N@@H+]1C ZINC000360882061 393605652 /nfs/dbraw/zinc/60/56/52/393605652.db2.gz CNOXXAAGPDJHEN-MDASCCDHSA-N 2 2 297.446 3.398 20 30 CGEDLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCC[N@H+]1C ZINC000360882061 393605654 /nfs/dbraw/zinc/60/56/54/393605654.db2.gz CNOXXAAGPDJHEN-MDASCCDHSA-N 2 2 297.446 3.398 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448028007 393867610 /nfs/dbraw/zinc/86/76/10/393867610.db2.gz ODGDXWOLCNNGCR-KKUMJFAQSA-N 2 2 252.446 3.297 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448028007 393867613 /nfs/dbraw/zinc/86/76/13/393867613.db2.gz ODGDXWOLCNNGCR-KKUMJFAQSA-N 2 2 252.446 3.297 20 30 CGEDLP C=CC[C@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657496956 419294509 /nfs/dbraw/zinc/29/45/09/419294509.db2.gz SUQRQTXURMKAHT-MRXNPFEDSA-N 2 2 281.403 3.106 20 30 CGEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657525513 419296954 /nfs/dbraw/zinc/29/69/54/419296954.db2.gz YBWFKZLUVCJQPF-MRXNPFEDSA-N 2 2 288.435 3.214 20 30 CGEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657525513 419296955 /nfs/dbraw/zinc/29/69/55/419296955.db2.gz YBWFKZLUVCJQPF-MRXNPFEDSA-N 2 2 288.435 3.214 20 30 CGEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657525512 419298035 /nfs/dbraw/zinc/29/80/35/419298035.db2.gz YBWFKZLUVCJQPF-INIZCTEOSA-N 2 2 288.435 3.214 20 30 CGEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657525512 419298036 /nfs/dbraw/zinc/29/80/36/419298036.db2.gz YBWFKZLUVCJQPF-INIZCTEOSA-N 2 2 288.435 3.214 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000657527653 419298231 /nfs/dbraw/zinc/29/82/31/419298231.db2.gz XCJALLUBFGVJSA-RBSFLKMASA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000657527653 419298232 /nfs/dbraw/zinc/29/82/32/419298232.db2.gz XCJALLUBFGVJSA-RBSFLKMASA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC000658092266 419564589 /nfs/dbraw/zinc/56/45/89/419564589.db2.gz PCGNXRUJCYBUHU-HUUCEWRRSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCC[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000658092266 419564598 /nfs/dbraw/zinc/56/45/98/419564598.db2.gz PCGNXRUJCYBUHU-HUUCEWRRSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@@H]1[N@H+](CCc2c[nH+]cn2C)CCCC1(C)C ZINC000297812512 260135645 /nfs/dbraw/zinc/13/56/45/260135645.db2.gz YGLSXZKZLAQNEX-HNNXBMFYSA-N 2 2 261.413 3.029 20 30 CGEDLP C=CC[C@@H]1[N@@H+](CCc2c[nH+]cn2C)CCCC1(C)C ZINC000297812512 260135647 /nfs/dbraw/zinc/13/56/47/260135647.db2.gz YGLSXZKZLAQNEX-HNNXBMFYSA-N 2 2 261.413 3.029 20 30 CGEDLP C=CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000364191763 262182779 /nfs/dbraw/zinc/18/27/79/262182779.db2.gz VMUBPBAQOXXRLJ-AEFFLSMTSA-N 2 2 287.451 3.238 20 30 CGEDLP C=CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000364191763 262182781 /nfs/dbraw/zinc/18/27/81/262182781.db2.gz VMUBPBAQOXXRLJ-AEFFLSMTSA-N 2 2 287.451 3.238 20 30 CGEDLP CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000336845422 262398936 /nfs/dbraw/zinc/39/89/36/262398936.db2.gz QCELDONYZMEDLK-MRXNPFEDSA-N 2 2 287.407 3.255 20 30 CGEDLP CC(C)(C#N)CCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000336845422 262398937 /nfs/dbraw/zinc/39/89/37/262398937.db2.gz QCELDONYZMEDLK-MRXNPFEDSA-N 2 2 287.407 3.255 20 30 CGEDLP CC(C)(C#N)CCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000277648976 263042668 /nfs/dbraw/zinc/04/26/68/263042668.db2.gz IBWODJAVTWLBNS-UHFFFAOYSA-N 2 2 274.412 3.309 20 30 CGEDLP N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000367762476 267116646 /nfs/dbraw/zinc/11/66/46/267116646.db2.gz CICUYDBRSBSHGK-QZTJIDSGSA-N 2 2 294.402 3.045 20 30 CGEDLP N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000367762476 267116648 /nfs/dbraw/zinc/11/66/48/267116648.db2.gz CICUYDBRSBSHGK-QZTJIDSGSA-N 2 2 294.402 3.045 20 30 CGEDLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000418144696 267364790 /nfs/dbraw/zinc/36/47/90/267364790.db2.gz UTOHZKINNOPBPT-NVXWUHKLSA-N 2 2 289.467 3.313 20 30 CGEDLP C=CC[C@H](C)[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422983754 330162783 /nfs/dbraw/zinc/16/27/83/330162783.db2.gz UVPSPRSSYWBJIE-RRQGHBQHSA-N 2 2 274.408 3.043 20 30 CGEDLP C=C(CC)C[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423167765 330174202 /nfs/dbraw/zinc/17/42/02/330174202.db2.gz XCWAIXIJMLVDNZ-SJORKVTESA-N 2 2 274.408 3.044 20 30 CGEDLP C=CCC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423369845 330194960 /nfs/dbraw/zinc/19/49/60/330194960.db2.gz OYGHWOGWAMYXBZ-QEORTHHSSA-N 2 2 294.389 3.355 20 30 CGEDLP C=CCC[C@@H]([NH2+]CC[NH+]1CCCCCC1)C1CC1 ZINC000439086576 330733585 /nfs/dbraw/zinc/73/35/85/330733585.db2.gz QIKJUGDHTFVNHO-MRXNPFEDSA-N 2 2 250.430 3.197 20 30 CGEDLP CC1(C#N)CCC([NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000449059519 330896152 /nfs/dbraw/zinc/89/61/52/330896152.db2.gz PWEGVIORRZXWFC-UHFFFAOYSA-N 2 2 294.402 3.434 20 30 CGEDLP C[C@H](C#N)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000237335200 334086462 /nfs/dbraw/zinc/08/64/62/334086462.db2.gz OMXDCXKFCYCCOP-CYBMUJFWSA-N 2 2 291.826 3.054 20 30 CGEDLP C[C@H](C[NH2+]CC(C)(C)CCC#N)[N@@H+]1CCC[C@H](C)C1 ZINC000246167882 334237883 /nfs/dbraw/zinc/23/78/83/334237883.db2.gz MJKZQIQAEOAQLB-LSDHHAIUSA-N 2 2 265.445 3.026 20 30 CGEDLP C[C@H](C[NH2+]CC(C)(C)CCC#N)[N@H+]1CCC[C@H](C)C1 ZINC000246167882 334237885 /nfs/dbraw/zinc/23/78/85/334237885.db2.gz MJKZQIQAEOAQLB-LSDHHAIUSA-N 2 2 265.445 3.026 20 30 CGEDLP Cc1c[nH+]ccc1CC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000581545864 336099710 /nfs/dbraw/zinc/09/97/10/336099710.db2.gz GWERKUWDLFXOOP-UHFFFAOYSA-N 2 2 277.371 3.083 20 30 CGEDLP Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]2CCC[N@H+]2C)[nH+]1 ZINC000330210592 534521004 /nfs/dbraw/zinc/52/10/04/534521004.db2.gz CLPLYQDGIXWHJC-CQSZACIVSA-N 2 2 284.363 3.067 20 30 CGEDLP Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+]2C)[nH+]1 ZINC000330210592 534521009 /nfs/dbraw/zinc/52/10/09/534521009.db2.gz CLPLYQDGIXWHJC-CQSZACIVSA-N 2 2 284.363 3.067 20 30 CGEDLP C=CCCC[NH+]1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344587155 527196497 /nfs/dbraw/zinc/19/64/97/527196497.db2.gz RZYQJXQCQARQIN-XHSDSOJGSA-N 2 2 250.430 3.290 20 30 CGEDLP C=CCCC[NH+]1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344587155 527196499 /nfs/dbraw/zinc/19/64/99/527196499.db2.gz RZYQJXQCQARQIN-XHSDSOJGSA-N 2 2 250.430 3.290 20 30 CGEDLP C=CCCC[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344587155 527196505 /nfs/dbraw/zinc/19/65/05/527196505.db2.gz RZYQJXQCQARQIN-XHSDSOJGSA-N 2 2 250.430 3.290 20 30 CGEDLP C=CCCC[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344587155 527196508 /nfs/dbraw/zinc/19/65/08/527196508.db2.gz RZYQJXQCQARQIN-XHSDSOJGSA-N 2 2 250.430 3.290 20 30 CGEDLP C=CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccco1 ZINC000353675721 527487818 /nfs/dbraw/zinc/48/78/18/527487818.db2.gz WCYQMMHEOSYTDB-KGLIPLIRSA-N 2 2 271.364 3.088 20 30 CGEDLP C(#Cc1ccccc1)C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000892749972 618931418 /nfs/dbraw/zinc/93/14/18/618931418.db2.gz JBOISCUAHUSGED-UHFFFAOYSA-N 2 2 296.458 3.282 20 30 CGEDLP N#C[C@H]1CCC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895110685 619733892 /nfs/dbraw/zinc/73/38/92/619733892.db2.gz UGLXKGXFKRCEJX-LUKYLMHMSA-N 2 2 298.434 3.240 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000895705628 619873131 /nfs/dbraw/zinc/87/31/31/619873131.db2.gz DHBRURSZOCKMQV-DOTOQJQBSA-N 2 2 282.391 3.154 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCCSC1)C(C)C ZINC000769006069 627516431 /nfs/dbraw/zinc/51/64/31/627516431.db2.gz YMVPCAZBFDILMW-HZPDHXFCSA-N 2 2 282.497 3.170 20 30 CGEDLP C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000810253204 630859869 /nfs/dbraw/zinc/85/98/69/630859869.db2.gz OBDQTBKHCFVTKH-ZIAGYGMSSA-N 2 2 261.413 3.382 20 30 CGEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH2+]CC)cc1 ZINC000817972524 632266640 /nfs/dbraw/zinc/26/66/40/632266640.db2.gz MKPOSJDKJWMKFP-ZIAGYGMSSA-N 2 2 296.842 3.467 20 30 CGEDLP CCCCCCC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880208652 635938667 /nfs/dbraw/zinc/93/86/67/635938667.db2.gz ULVIIXIAURUSDL-QGZVFWFLSA-N 2 2 282.472 3.190 20 30 CGEDLP CCCCCCC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880208652 635938669 /nfs/dbraw/zinc/93/86/69/635938669.db2.gz ULVIIXIAURUSDL-QGZVFWFLSA-N 2 2 282.472 3.190 20 30 CGEDLP C=CCC[C@@H](COc1ccccc1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000883171869 636564357 /nfs/dbraw/zinc/56/43/57/636564357.db2.gz LFJPXWWKMMKYRJ-SJORKVTESA-N 2 2 299.418 3.275 20 30 CGEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(C#N)c2)CC[N@@H+]1C ZINC000929783698 638951077 /nfs/dbraw/zinc/95/10/77/638951077.db2.gz YPSQOIYJVDUMSL-MLGOLLRUSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(C#N)c2)CC[N@H+]1C ZINC000929783698 638951078 /nfs/dbraw/zinc/95/10/78/638951078.db2.gz YPSQOIYJVDUMSL-MLGOLLRUSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)CC[NH+]1C ZINC000929783698 638951081 /nfs/dbraw/zinc/95/10/81/638951081.db2.gz YPSQOIYJVDUMSL-MLGOLLRUSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)CC[NH+]1C ZINC000929783698 638951083 /nfs/dbraw/zinc/95/10/83/638951083.db2.gz YPSQOIYJVDUMSL-MLGOLLRUSA-N 2 2 291.826 3.126 20 30 CGEDLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCCC1(C#N)CCC1 ZINC000931621346 639180241 /nfs/dbraw/zinc/18/02/41/639180241.db2.gz KBFNGWPCUFMFKJ-CVEARBPZSA-N 2 2 275.440 3.019 20 30 CGEDLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCCC1(C#N)CCC1 ZINC000931621346 639180250 /nfs/dbraw/zinc/18/02/50/639180250.db2.gz KBFNGWPCUFMFKJ-CVEARBPZSA-N 2 2 275.440 3.019 20 30 CGEDLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCCC1(C#N)CCC1 ZINC000931621346 639180259 /nfs/dbraw/zinc/18/02/59/639180259.db2.gz KBFNGWPCUFMFKJ-CVEARBPZSA-N 2 2 275.440 3.019 20 30 CGEDLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCCC1(C#N)CCC1 ZINC000931621346 639180268 /nfs/dbraw/zinc/18/02/68/639180268.db2.gz KBFNGWPCUFMFKJ-CVEARBPZSA-N 2 2 275.440 3.019 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000385696549 799428130 /nfs/dbraw/zinc/42/81/30/799428130.db2.gz FIGKHTJLTAEGBI-UHFFFAOYSA-N 2 2 285.218 3.038 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(Cl)cccc1Cl ZINC000385696549 799428131 /nfs/dbraw/zinc/42/81/31/799428131.db2.gz FIGKHTJLTAEGBI-UHFFFAOYSA-N 2 2 285.218 3.038 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246032905 804103018 /nfs/dbraw/zinc/10/30/18/804103018.db2.gz MSUPLHFMERCSTK-QZTJIDSGSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246032905 804103021 /nfs/dbraw/zinc/10/30/21/804103021.db2.gz MSUPLHFMERCSTK-QZTJIDSGSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCC[C@H](CC)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246086629 804120995 /nfs/dbraw/zinc/12/09/95/804120995.db2.gz BEAJVDVGUWMXIJ-ZNMIVQPWSA-N 2 2 258.425 3.415 20 30 CGEDLP CCCCCCC[C@H](CC)[NH2+][C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001246292500 804261568 /nfs/dbraw/zinc/26/15/68/804261568.db2.gz JVGGAKAEUAUFCY-PMPSAXMXSA-N 2 2 270.461 3.092 20 30 CGEDLP CCCCCCC[C@H](CCC)[NH2+][C@H]([NH3+])CCC[NH3+] ZINC001246300150 804266336 /nfs/dbraw/zinc/26/63/36/804266336.db2.gz LVPCQUQMORYFDJ-GJZGRUSLSA-N 3 2 257.466 3.129 20 30 CGEDLP CCCCCCC[C@H](CC)[NH2+][C@H]1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246389098 804317904 /nfs/dbraw/zinc/31/79/04/804317904.db2.gz KIRFYJVZNDTXJI-NXOAAHMSSA-N 2 2 282.472 3.235 20 30 CGEDLP CCCCCCCC[C@H](CC)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246551165 804400457 /nfs/dbraw/zinc/40/04/57/804400457.db2.gz PFOCOLVSGVLFMD-IRXDYDNUSA-N 2 2 284.488 3.436 20 30 CGEDLP CCCCCCCC[C@H](CC)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246551165 804400463 /nfs/dbraw/zinc/40/04/63/804400463.db2.gz PFOCOLVSGVLFMD-IRXDYDNUSA-N 2 2 284.488 3.436 20 30 CGEDLP CCCC[N@H+](CCC#N)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246770946 804502346 /nfs/dbraw/zinc/50/23/46/804502346.db2.gz SZLYKIICXSQMHL-RBUKOAKNSA-N 2 2 299.462 3.365 20 30 CGEDLP CCCC[N@@H+](CCC#N)[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246770946 804502350 /nfs/dbraw/zinc/50/23/50/804502350.db2.gz SZLYKIICXSQMHL-RBUKOAKNSA-N 2 2 299.462 3.365 20 30 CGEDLP CCCCCCC[C@@H](C)[N@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001246927961 804604919 /nfs/dbraw/zinc/60/49/19/804604919.db2.gz IWIRZUMWEDOSDH-CVEARBPZSA-N 2 2 270.461 3.046 20 30 CGEDLP CCCCCCC[C@@H](C)[N@@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001246927961 804604921 /nfs/dbraw/zinc/60/49/21/804604921.db2.gz IWIRZUMWEDOSDH-CVEARBPZSA-N 2 2 270.461 3.046 20 30 CGEDLP CCCCCCCCCC[C@@H](C)[NH2+]C1(C[NH3+])COC1 ZINC001257547451 807195518 /nfs/dbraw/zinc/19/55/18/807195518.db2.gz NPWOYQIQUGRNMJ-OAHLLOKOSA-N 2 2 270.461 3.223 20 30 CGEDLP CCCC[N@H+](CC#N)[C@@H](C)CCC[NH+](CC)CC ZINC001167836828 807258861 /nfs/dbraw/zinc/25/88/61/807258861.db2.gz HTVXACBFBADMPB-HNNXBMFYSA-N 2 2 253.434 3.123 20 30 CGEDLP CCCC[N@@H+](CC#N)[C@@H](C)CCC[NH+](CC)CC ZINC001167836828 807258872 /nfs/dbraw/zinc/25/88/72/807258872.db2.gz HTVXACBFBADMPB-HNNXBMFYSA-N 2 2 253.434 3.123 20 30 CGEDLP C=CCc1cc(C)c[nH+]c1NC(C)(C)CC[NH+](C)C ZINC001169716539 807696141 /nfs/dbraw/zinc/69/61/41/807696141.db2.gz UPKSOURZKSAHBB-UHFFFAOYSA-N 2 2 261.413 3.261 20 30 CGEDLP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001171229907 808013395 /nfs/dbraw/zinc/01/33/95/808013395.db2.gz ROBIMJBOYUAXEQ-HNNXBMFYSA-N 2 2 297.446 3.048 20 30 CGEDLP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001171229907 808013402 /nfs/dbraw/zinc/01/34/02/808013402.db2.gz ROBIMJBOYUAXEQ-HNNXBMFYSA-N 2 2 297.446 3.048 20 30 CGEDLP C[NH+]1C(C)(C)CC([NH2+]C2(CC#N)CCCC2)CC1(C)C ZINC001171628606 808107848 /nfs/dbraw/zinc/10/78/48/808107848.db2.gz CNJNUNYQUOEQPM-UHFFFAOYSA-N 2 2 277.456 3.454 20 30 CGEDLP C[C@@H](CC#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067697 808170233 /nfs/dbraw/zinc/17/02/33/808170233.db2.gz ROSYBXHUHKLJQH-KANFNMMFSA-N 2 2 297.446 3.464 20 30 CGEDLP C[C@@H](CC#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067697 808170237 /nfs/dbraw/zinc/17/02/37/808170237.db2.gz ROSYBXHUHKLJQH-KANFNMMFSA-N 2 2 297.446 3.464 20 30 CGEDLP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001172310793 808222983 /nfs/dbraw/zinc/22/29/83/808222983.db2.gz JETIQLXJVJBSBC-OAHLLOKOSA-N 2 2 294.402 3.023 20 30 CGEDLP C[C@H](Cc1ccc(C#N)cc1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001172319962 808229220 /nfs/dbraw/zinc/22/92/20/808229220.db2.gz SLXOMGKHPBEGKX-PBHICJAKSA-N 2 2 294.402 3.025 20 30 CGEDLP C=CCOC1CCC(n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CC1 ZINC001173326782 808613112 /nfs/dbraw/zinc/61/31/12/808613112.db2.gz QMOUIMXWSYXJIG-QQFBHYJXSA-N 2 2 289.423 3.036 20 30 CGEDLP CCC#C[C@H](C)[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC001196727416 811360505 /nfs/dbraw/zinc/36/05/05/811360505.db2.gz DHFUSOZFDPSIKT-INIZCTEOSA-N 2 2 262.441 3.129 20 30 CGEDLP Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c(C#N)c1 ZINC001242593503 823050517 /nfs/dbraw/zinc/05/05/17/823050517.db2.gz SHFRSQJLCHPQPI-KRWDZBQOSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c(C#N)c1 ZINC001242593503 823050522 /nfs/dbraw/zinc/05/05/22/823050522.db2.gz SHFRSQJLCHPQPI-KRWDZBQOSA-N 2 2 291.398 3.067 20 30 CGEDLP C#CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236911472 819637213 /nfs/dbraw/zinc/63/72/13/819637213.db2.gz KUKQYAWITAJHIH-UHFFFAOYSA-N 2 2 299.805 3.371 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC001560264446 938250082 /nfs/dbraw/zinc/25/00/82/938250082.db2.gz XIXXOBDVMCHUHR-HZPDHXFCSA-N 2 2 250.430 3.197 20 30 CGEDLP C=CC[N@H+](Cc1ccc(Cl)s1)CC1(C[NH3+])CC1 ZINC001574932711 962333286 /nfs/dbraw/zinc/33/32/86/962333286.db2.gz FWFMQDWDUPVRIF-UHFFFAOYSA-N 2 2 270.829 3.128 20 30 CGEDLP C=CC[N@@H+](Cc1ccc(Cl)s1)CC1(C[NH3+])CC1 ZINC001574932711 962333305 /nfs/dbraw/zinc/33/33/05/962333305.db2.gz FWFMQDWDUPVRIF-UHFFFAOYSA-N 2 2 270.829 3.128 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCCC[C@@H]2C)CC1 ZINC000651700866 398271203 /nfs/dbraw/zinc/27/12/03/398271203.db2.gz XHPQIXJNSCOWLE-HOCLYGCPSA-N 2 2 250.430 3.195 20 30 CGEDLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CC(C)(C)CCC#N ZINC000174386461 346241176 /nfs/dbraw/zinc/24/11/76/346241176.db2.gz VAKXWDVWEGVBTN-OAHLLOKOSA-N 2 2 265.445 3.170 20 30 CGEDLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CC(C)(C)CCC#N ZINC000174386461 346241180 /nfs/dbraw/zinc/24/11/80/346241180.db2.gz VAKXWDVWEGVBTN-OAHLLOKOSA-N 2 2 265.445 3.170 20 30 CGEDLP CC(C)(C)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593692345 347103553 /nfs/dbraw/zinc/10/35/53/347103553.db2.gz CEJNSZNXXYEPFK-UHFFFAOYSA-N 2 2 285.435 3.158 20 30 CGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517040 347186341 /nfs/dbraw/zinc/18/63/41/347186341.db2.gz UNVNETRAOPXXGD-KDOFPFPSSA-N 2 2 295.430 3.010 20 30 CGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517040 347186344 /nfs/dbraw/zinc/18/63/44/347186344.db2.gz UNVNETRAOPXXGD-KDOFPFPSSA-N 2 2 295.430 3.010 20 30 CGEDLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000594519768 347188084 /nfs/dbraw/zinc/18/80/84/347188084.db2.gz LIXUSJAEVQDWJS-JCGIZDLHSA-N 2 2 283.419 3.226 20 30 CGEDLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000594519768 347188086 /nfs/dbraw/zinc/18/80/86/347188086.db2.gz LIXUSJAEVQDWJS-JCGIZDLHSA-N 2 2 283.419 3.226 20 30 CGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000594520941 347188955 /nfs/dbraw/zinc/18/89/55/347188955.db2.gz RSHAHONSLUOAOL-QYZOEREBSA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)CC2 ZINC000594520941 347188958 /nfs/dbraw/zinc/18/89/58/347188958.db2.gz RSHAHONSLUOAOL-QYZOEREBSA-N 2 2 295.430 3.152 20 30 CGEDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595057218 347272443 /nfs/dbraw/zinc/27/24/43/347272443.db2.gz VGPXNYAIWGFCHT-WMZOPIPTSA-N 2 2 297.446 3.398 20 30 CGEDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595057218 347272446 /nfs/dbraw/zinc/27/24/46/347272446.db2.gz VGPXNYAIWGFCHT-WMZOPIPTSA-N 2 2 297.446 3.398 20 30 CGEDLP N#CC1(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)CC1 ZINC000595552459 347318357 /nfs/dbraw/zinc/31/83/57/347318357.db2.gz WENWGYYMWKIPDM-UHFFFAOYSA-N 2 2 294.402 3.121 20 30 CGEDLP N#Cc1c(F)cccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000602003312 347931694 /nfs/dbraw/zinc/93/16/94/347931694.db2.gz UDCOAUPLIAAVSK-UHFFFAOYSA-N 2 2 298.365 3.074 20 30 CGEDLP C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000602456592 347961441 /nfs/dbraw/zinc/96/14/41/347961441.db2.gz ZTYAICKUTVMVOA-WCXIOVBPSA-N 2 2 277.456 3.263 20 30 CGEDLP C[C@H](CCC#N)C[N@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000602456592 347961443 /nfs/dbraw/zinc/96/14/43/347961443.db2.gz ZTYAICKUTVMVOA-WCXIOVBPSA-N 2 2 277.456 3.263 20 30 CGEDLP C[C@H](CCC#N)C[NH+]1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000602456592 347961444 /nfs/dbraw/zinc/96/14/44/347961444.db2.gz ZTYAICKUTVMVOA-WCXIOVBPSA-N 2 2 277.456 3.263 20 30 CGEDLP C[C@H](CCC#N)C[NH+]1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000602456592 347961447 /nfs/dbraw/zinc/96/14/47/347961447.db2.gz ZTYAICKUTVMVOA-WCXIOVBPSA-N 2 2 277.456 3.263 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000602506484 347971984 /nfs/dbraw/zinc/97/19/84/347971984.db2.gz XVNCKOQRVPCECF-FUHWJXTLSA-N 2 2 285.435 3.353 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000614962858 348703351 /nfs/dbraw/zinc/70/33/51/348703351.db2.gz KBKCFMGMLPXXAO-PBHICJAKSA-N 2 2 280.375 3.153 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000614962858 348703356 /nfs/dbraw/zinc/70/33/56/348703356.db2.gz KBKCFMGMLPXXAO-PBHICJAKSA-N 2 2 280.375 3.153 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccnc2Cl)CC1 ZINC000177907511 189078587 /nfs/dbraw/zinc/07/85/87/189078587.db2.gz QXJJYBDEIOAYAK-GFCCVEGCSA-N 2 2 279.815 3.036 20 30 CGEDLP C=C(C)C[NH+]1CCC(Nc2[nH+]c3ccccc3n2C)CC1 ZINC000179292885 189183873 /nfs/dbraw/zinc/18/38/73/189183873.db2.gz CPJHYRBYLCANKG-UHFFFAOYSA-N 2 2 284.407 3.026 20 30 CGEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cc2Cl)CC[N@@H+]1C ZINC000335677965 212398942 /nfs/dbraw/zinc/39/89/42/212398942.db2.gz WYHGDTJNFQOGTP-IUODEOHRSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cc2Cl)CC[N@H+]1C ZINC000335677965 212398943 /nfs/dbraw/zinc/39/89/43/212398943.db2.gz WYHGDTJNFQOGTP-IUODEOHRSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2Cl)CC[NH+]1C ZINC000335677965 212398945 /nfs/dbraw/zinc/39/89/45/212398945.db2.gz WYHGDTJNFQOGTP-IUODEOHRSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2Cl)CC[NH+]1C ZINC000335677965 212398947 /nfs/dbraw/zinc/39/89/47/212398947.db2.gz WYHGDTJNFQOGTP-IUODEOHRSA-N 2 2 291.826 3.126 20 30 CGEDLP CC[NH+]1CCC([N@H+](C)CC#Cc2ccc(Cl)cc2)CC1 ZINC000426369113 372153915 /nfs/dbraw/zinc/15/39/15/372153915.db2.gz DEOHCXRMAPNCOX-UHFFFAOYSA-N 2 2 290.838 3.108 20 30 CGEDLP CC[NH+]1CCC([N@@H+](C)CC#Cc2ccc(Cl)cc2)CC1 ZINC000426369113 372153924 /nfs/dbraw/zinc/15/39/24/372153924.db2.gz DEOHCXRMAPNCOX-UHFFFAOYSA-N 2 2 290.838 3.108 20 30 CGEDLP CC(C)(C)C[N@@H+](CCC#N)CCC[NH+]1CCCCC1 ZINC000161205560 372309109 /nfs/dbraw/zinc/30/91/09/372309109.db2.gz HPHSGISFJPWPGB-UHFFFAOYSA-N 2 2 265.445 3.124 20 30 CGEDLP CC(C)(C)C[N@H+](CCC#N)CCC[NH+]1CCCCC1 ZINC000161205560 372309112 /nfs/dbraw/zinc/30/91/12/372309112.db2.gz HPHSGISFJPWPGB-UHFFFAOYSA-N 2 2 265.445 3.124 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@@H](CC(C)C)[NH+](C)C)C1CC1 ZINC000439090165 372972845 /nfs/dbraw/zinc/97/28/45/372972845.db2.gz XWQQCMDCDSHPOU-CVEARBPZSA-N 2 2 252.446 3.297 20 30 CGEDLP C=CCC[C@@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C1CC1 ZINC000447575894 373455560 /nfs/dbraw/zinc/45/55/60/373455560.db2.gz ZSQZZEKLPMMPIW-MRXNPFEDSA-N 2 2 264.457 3.443 20 30 CGEDLP C=CCC[C@@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C1CC1 ZINC000447575894 373455570 /nfs/dbraw/zinc/45/55/70/373455570.db2.gz ZSQZZEKLPMMPIW-MRXNPFEDSA-N 2 2 264.457 3.443 20 30 CGEDLP C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000449079764 373660578 /nfs/dbraw/zinc/66/05/78/373660578.db2.gz PVBWTITZOQARHJ-JUVOFCAFSA-N 2 2 277.456 3.311 20 30 CGEDLP C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@H+]1CCCC[C@@H]1C ZINC000449079764 373660585 /nfs/dbraw/zinc/66/05/85/373660585.db2.gz PVBWTITZOQARHJ-JUVOFCAFSA-N 2 2 277.456 3.311 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185383572 374652376 /nfs/dbraw/zinc/65/23/76/374652376.db2.gz VUXGNHUWKDGNHS-LBPRGKRZSA-N 2 2 294.826 3.347 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000185383976 374654350 /nfs/dbraw/zinc/65/43/50/374654350.db2.gz WFTDBGRNYKZHRH-AWEZNQCLSA-N 2 2 274.408 3.002 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2sccc2OC)CC1 ZINC000186156338 374803996 /nfs/dbraw/zinc/80/39/96/374803996.db2.gz ALVQYZBGSPLQNU-GFCCVEGCSA-N 2 2 280.437 3.058 20 30 CGEDLP C#CC[N@H+](C)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000491314157 375326211 /nfs/dbraw/zinc/32/62/11/375326211.db2.gz DDEOHEOSNBKHDP-UHFFFAOYSA-N 2 2 269.392 3.080 20 30 CGEDLP C#CC[N@@H+](C)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000491314157 375326217 /nfs/dbraw/zinc/32/62/17/375326217.db2.gz DDEOHEOSNBKHDP-UHFFFAOYSA-N 2 2 269.392 3.080 20 30 CGEDLP CC[C@@H](CC#N)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583935150 378359256 /nfs/dbraw/zinc/35/92/56/378359256.db2.gz RWJQEISCQWNIAG-ROUUACIJSA-N 2 2 297.446 3.465 20 30 CGEDLP CC[C@@H](CC#N)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583935150 378359260 /nfs/dbraw/zinc/35/92/60/378359260.db2.gz RWJQEISCQWNIAG-ROUUACIJSA-N 2 2 297.446 3.465 20 30 CGEDLP C=C(CC)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000346519447 378601457 /nfs/dbraw/zinc/60/14/57/378601457.db2.gz ARLWZMIWVSKTAA-CQSZACIVSA-N 2 2 255.365 3.489 20 30 CGEDLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCCC#N ZINC000274836417 378905364 /nfs/dbraw/zinc/90/53/64/378905364.db2.gz KZNJSXXCZCOWRJ-KRWDZBQOSA-N 2 2 273.424 3.036 20 30 CGEDLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCCC#N ZINC000274836417 378905369 /nfs/dbraw/zinc/90/53/69/378905369.db2.gz KZNJSXXCZCOWRJ-KRWDZBQOSA-N 2 2 273.424 3.036 20 30 CGEDLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000353986182 380265283 /nfs/dbraw/zinc/26/52/83/380265283.db2.gz HJCUDICQSUBYEE-ROUUACIJSA-N 2 2 285.435 3.473 20 30 CGEDLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000353986182 380265285 /nfs/dbraw/zinc/26/52/85/380265285.db2.gz HJCUDICQSUBYEE-ROUUACIJSA-N 2 2 285.435 3.473 20 30 CGEDLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CCCC#N ZINC000360969767 381637603 /nfs/dbraw/zinc/63/76/03/381637603.db2.gz VIDPWRZRZBJLJW-SFHVURJKSA-N 2 2 299.462 3.353 20 30 CGEDLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CCCC#N ZINC000360969767 381637607 /nfs/dbraw/zinc/63/76/07/381637607.db2.gz VIDPWRZRZBJLJW-SFHVURJKSA-N 2 2 299.462 3.353 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)CCC#N ZINC000361311172 381688648 /nfs/dbraw/zinc/68/86/48/381688648.db2.gz WJNQRMJPXTYIMQ-UHFFFAOYSA-N 2 2 284.407 3.361 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)CCC#N ZINC000361311172 381688650 /nfs/dbraw/zinc/68/86/50/381688650.db2.gz WJNQRMJPXTYIMQ-UHFFFAOYSA-N 2 2 284.407 3.361 20 30 CGEDLP CC(C)(C#N)CCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000369001680 382385838 /nfs/dbraw/zinc/38/58/38/382385838.db2.gz MSWLJPQVKQYAGN-UHFFFAOYSA-N 2 2 274.412 3.309 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(C)ccn2)CC1 ZINC000285916588 392349218 /nfs/dbraw/zinc/34/92/18/392349218.db2.gz DNSUUYQAPHDTQS-HNNXBMFYSA-N 2 2 273.424 3.081 20 30 CGEDLP C#CCC[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301897992 392600439 /nfs/dbraw/zinc/60/04/39/392600439.db2.gz RRUMECQGYYBUJW-UHFFFAOYSA-N 2 2 299.805 3.034 20 30 CGEDLP C=CCC[C@H](C)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348834510 393132662 /nfs/dbraw/zinc/13/26/62/393132662.db2.gz QMAMDKGBZDRICG-ZDUSSCGKSA-N 2 2 256.353 3.093 20 30 CGEDLP C(#Cc1ccccc1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000683019543 543890395 /nfs/dbraw/zinc/89/03/95/543890395.db2.gz QQKKPLHXAUSHLH-UHFFFAOYSA-N 2 2 291.398 3.010 20 30 CGEDLP C=CCC[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC000658092268 419563178 /nfs/dbraw/zinc/56/31/78/419563178.db2.gz PCGNXRUJCYBUHU-LSDHHAIUSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCC[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000658092268 419563186 /nfs/dbraw/zinc/56/31/86/419563186.db2.gz PCGNXRUJCYBUHU-LSDHHAIUSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[NH+]1CCC(Nc2cc(C(F)(F)F)cc(C)[nH+]2)CC1 ZINC000663569512 419649778 /nfs/dbraw/zinc/64/97/78/419649778.db2.gz LFHLCWRGUYMPHU-UHFFFAOYSA-N 2 2 299.340 3.471 20 30 CGEDLP C#CCCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090398309 260259243 /nfs/dbraw/zinc/25/92/43/260259243.db2.gz SXYUTBMLNXPYEK-OAHLLOKOSA-N 2 2 267.376 3.326 20 30 CGEDLP C=C(CC)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000313504721 260299391 /nfs/dbraw/zinc/29/93/91/260299391.db2.gz XCYBELJGTYPHAB-AWEZNQCLSA-N 2 2 255.365 3.489 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CC[C@@H]1SC)C(C)C ZINC000425362399 264134620 /nfs/dbraw/zinc/13/46/20/264134620.db2.gz USGSDZAPOBMOAJ-OAGGEKHMSA-N 2 2 282.497 3.169 20 30 CGEDLP CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331233550 264173875 /nfs/dbraw/zinc/17/38/75/264173875.db2.gz JTQMPWOWENCUIC-CYBMUJFWSA-N 2 2 292.427 3.063 20 30 CGEDLP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331233550 264173878 /nfs/dbraw/zinc/17/38/78/264173878.db2.gz JTQMPWOWENCUIC-CYBMUJFWSA-N 2 2 292.427 3.063 20 30 CGEDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000528015892 270151417 /nfs/dbraw/zinc/15/14/17/270151417.db2.gz ZPRDESULZVZJIL-KSSFIOAISA-N 2 2 283.419 3.226 20 30 CGEDLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000528015892 270151418 /nfs/dbraw/zinc/15/14/18/270151418.db2.gz ZPRDESULZVZJIL-KSSFIOAISA-N 2 2 283.419 3.226 20 30 CGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H](C)C1CCOCC1)C(C)C ZINC000152074663 328056603 /nfs/dbraw/zinc/05/66/03/328056603.db2.gz NKSYUZXPTOQOPM-WMZOPIPTSA-N 2 2 294.483 3.090 20 30 CGEDLP C=CCOc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC000563481193 328069580 /nfs/dbraw/zinc/06/95/80/328069580.db2.gz BAEJFERHSWZPIS-UHFFFAOYSA-N 2 2 296.842 3.288 20 30 CGEDLP C=CCOc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC000563481193 328069582 /nfs/dbraw/zinc/06/95/82/328069582.db2.gz BAEJFERHSWZPIS-UHFFFAOYSA-N 2 2 296.842 3.288 20 30 CGEDLP C=CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000377758531 329028271 /nfs/dbraw/zinc/02/82/71/329028271.db2.gz XGZFWJLITJUXMM-JSGCOSHPSA-N 2 2 271.364 3.157 20 30 CGEDLP C=CCC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000377758531 329028272 /nfs/dbraw/zinc/02/82/72/329028272.db2.gz XGZFWJLITJUXMM-JSGCOSHPSA-N 2 2 271.364 3.157 20 30 CGEDLP CCc1ccc([C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)[NH+](C)C)cc1 ZINC000442653373 330778311 /nfs/dbraw/zinc/77/83/11/330778311.db2.gz SBJJBPJQHWVSFY-SZMVWBNQSA-N 2 2 285.435 3.134 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000449180304 330904212 /nfs/dbraw/zinc/90/42/12/330904212.db2.gz ZPWVSAQWHHLFSO-GJZGRUSLSA-N 2 2 270.486 3.148 20 30 CGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459735466 331296849 /nfs/dbraw/zinc/29/68/49/331296849.db2.gz SYLMASJVZZJCIK-NVXWUHKLSA-N 2 2 285.435 3.036 20 30 CGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459735466 331296850 /nfs/dbraw/zinc/29/68/50/331296850.db2.gz SYLMASJVZZJCIK-NVXWUHKLSA-N 2 2 285.435 3.036 20 30 CGEDLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(C#N)cc1 ZINC000181456904 335762640 /nfs/dbraw/zinc/76/26/40/335762640.db2.gz DTKSCPTXJADKRJ-CQSZACIVSA-N 2 2 290.370 3.099 20 30 CGEDLP CN(C)c1ccc(C=[NH+]Nc2cc[nH+]c3ccccc23)cc1 ZINC000730147873 571950948 /nfs/dbraw/zinc/95/09/48/571950948.db2.gz VSMBHSVAUVNAOR-UHFFFAOYSA-N 2 2 290.370 3.169 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C)nc3c2CCCC3)CC1 ZINC000892881006 618947952 /nfs/dbraw/zinc/94/79/52/618947952.db2.gz NYNIDOAUUNBYFG-UHFFFAOYSA-N 2 2 299.462 3.009 20 30 CGEDLP CCOc1ccc(O)c(/C=[NH+]/CCCC[N@H+](C)C2CC2)c1 ZINC000840711666 620139758 /nfs/dbraw/zinc/13/97/58/620139758.db2.gz YKOLEGNWYRQUBP-QGOAFFKASA-N 2 2 290.407 3.084 20 30 CGEDLP CCOc1ccc(O)c(/C=[NH+]/CCCC[N@@H+](C)C2CC2)c1 ZINC000840711666 620139760 /nfs/dbraw/zinc/13/97/60/620139760.db2.gz YKOLEGNWYRQUBP-QGOAFFKASA-N 2 2 290.407 3.084 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000924728053 620580083 /nfs/dbraw/zinc/58/00/83/620580083.db2.gz DPRKAKIAOURNSJ-ZIAGYGMSSA-N 2 2 276.428 3.216 20 30 CGEDLP C=C(C)COCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902879453 621481944 /nfs/dbraw/zinc/48/19/44/621481944.db2.gz VZQCRGOYTWEDPE-OAHLLOKOSA-N 2 2 285.391 3.116 20 30 CGEDLP C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000903025359 621542744 /nfs/dbraw/zinc/54/27/44/621542744.db2.gz BZDWGCGFEFZIBZ-IJEWVQPXSA-N 2 2 280.375 3.215 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(C)ccc32)CC1 ZINC000765834967 627274180 /nfs/dbraw/zinc/27/41/80/627274180.db2.gz TXFAKYQRDBSYSU-GOSISDBHSA-N 2 2 270.420 3.222 20 30 CGEDLP C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000873198646 634283751 /nfs/dbraw/zinc/28/37/51/634283751.db2.gz TXHBXBMQJCJLLE-JCNLHEQBSA-N 2 2 279.387 3.154 20 30 CGEDLP C#CCCCCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000876651141 634875276 /nfs/dbraw/zinc/87/52/76/634875276.db2.gz PWOQHFJPSGMTOX-UHFFFAOYSA-N 2 2 259.397 3.104 20 30 CGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3C=CCC3)CC2)cc1 ZINC000883238146 636607763 /nfs/dbraw/zinc/60/77/63/636607763.db2.gz UEZGXFQUZDWUSZ-KRWDZBQOSA-N 2 2 295.430 3.078 20 30 CGEDLP C#C[C@@](C)(CC)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000852103218 637596951 /nfs/dbraw/zinc/59/69/51/637596951.db2.gz ANXNGOBWJQOVMD-KRWDZBQOSA-N 2 2 267.376 3.072 20 30 CGEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000854231496 638029717 /nfs/dbraw/zinc/02/97/17/638029717.db2.gz FJNLDDAUHSMNIC-QWHCGFSZSA-N 2 2 282.815 3.076 20 30 CGEDLP N#CCCC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925674505 638564783 /nfs/dbraw/zinc/56/47/83/638564783.db2.gz AXKGMLOSZLJYQM-IRXDYDNUSA-N 2 2 283.419 3.296 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000926746774 638806430 /nfs/dbraw/zinc/80/64/30/638806430.db2.gz UOTWNZNLLAXWOY-HOCLYGCPSA-N 2 2 277.456 3.311 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000926746774 638806433 /nfs/dbraw/zinc/80/64/33/638806433.db2.gz UOTWNZNLLAXWOY-HOCLYGCPSA-N 2 2 277.456 3.311 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001252132303 806017254 /nfs/dbraw/zinc/01/72/54/806017254.db2.gz FBWDZAQGBSEGCZ-SQNIBIBYSA-N 2 2 296.499 3.124 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001252132303 806017261 /nfs/dbraw/zinc/01/72/61/806017261.db2.gz FBWDZAQGBSEGCZ-SQNIBIBYSA-N 2 2 296.499 3.124 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001252132303 806017269 /nfs/dbraw/zinc/01/72/69/806017269.db2.gz FBWDZAQGBSEGCZ-SQNIBIBYSA-N 2 2 296.499 3.124 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001252132303 806017276 /nfs/dbraw/zinc/01/72/76/806017276.db2.gz FBWDZAQGBSEGCZ-SQNIBIBYSA-N 2 2 296.499 3.124 20 30 CGEDLP CC[C@@H](CC#N)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130215 806550539 /nfs/dbraw/zinc/55/05/39/806550539.db2.gz RZNDTNBTNLKFRV-OKYOBFRVSA-N 2 2 297.446 3.464 20 30 CGEDLP CC[C@@H](CC#N)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255130215 806550535 /nfs/dbraw/zinc/55/05/35/806550535.db2.gz RZNDTNBTNLKFRV-OKYOBFRVSA-N 2 2 297.446 3.464 20 30 CGEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000450750394 799625491 /nfs/dbraw/zinc/62/54/91/799625491.db2.gz AUYZGCAGEAYKFE-FUHWJXTLSA-N 2 2 297.446 3.180 20 30 CGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000450750394 799625494 /nfs/dbraw/zinc/62/54/94/799625494.db2.gz AUYZGCAGEAYKFE-FUHWJXTLSA-N 2 2 297.446 3.180 20 30 CGEDLP C#C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000705332937 799948868 /nfs/dbraw/zinc/94/88/68/799948868.db2.gz OPKZXZNYKIEEHV-GOSISDBHSA-N 2 2 284.447 3.289 20 30 CGEDLP C=C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC001256073791 806813542 /nfs/dbraw/zinc/81/35/42/806813542.db2.gz DOXKODZTQFOTBG-QGZVFWFLSA-N 2 2 256.393 3.130 20 30 CGEDLP CC(C)(C)[NH+]1CCC([N@@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001256569577 806917576 /nfs/dbraw/zinc/91/75/76/806917576.db2.gz KJRLERXFFBNRRN-UHFFFAOYSA-N 2 2 297.446 3.179 20 30 CGEDLP CC(C)(C)[NH+]1CCC([N@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001256569577 806917580 /nfs/dbraw/zinc/91/75/80/806917580.db2.gz KJRLERXFFBNRRN-UHFFFAOYSA-N 2 2 297.446 3.179 20 30 CGEDLP Cc1c(C#N)cccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001244817226 803535676 /nfs/dbraw/zinc/53/56/76/803535676.db2.gz CAULOIRONAELMN-QGZVFWFLSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1c(C#N)cccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001244817226 803535682 /nfs/dbraw/zinc/53/56/82/803535682.db2.gz CAULOIRONAELMN-QGZVFWFLSA-N 2 2 291.398 3.067 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001246061564 804105030 /nfs/dbraw/zinc/10/50/30/804105030.db2.gz GDYBKTYWCADWJT-ROUUACIJSA-N 2 2 296.499 3.314 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001246061564 804105031 /nfs/dbraw/zinc/10/50/31/804105031.db2.gz GDYBKTYWCADWJT-ROUUACIJSA-N 2 2 296.499 3.314 20 30 CGEDLP CCCCCCCC[C@H](CC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246090715 804122194 /nfs/dbraw/zinc/12/21/94/804122194.db2.gz YMMVKKRATUFFIE-JKSUJKDBSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCC[C@H](CC)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246549546 804397277 /nfs/dbraw/zinc/39/72/77/804397277.db2.gz MKCBOJWUMRJSNH-JKSUJKDBSA-N 2 2 270.461 3.046 20 30 CGEDLP CCCCCCC[C@H](CC)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246549546 804397283 /nfs/dbraw/zinc/39/72/83/804397283.db2.gz MKCBOJWUMRJSNH-JKSUJKDBSA-N 2 2 270.461 3.046 20 30 CGEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001172300990 808220681 /nfs/dbraw/zinc/22/06/81/808220681.db2.gz JEDKRCGYQWIKII-SJORKVTESA-N 2 2 299.462 3.199 20 30 CGEDLP C[C@@H](CCCC#N)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001172493796 808353989 /nfs/dbraw/zinc/35/39/89/808353989.db2.gz OANBSQBWTJBNIT-AWEZNQCLSA-N 2 2 273.380 3.007 20 30 CGEDLP C[C@H](CCCC#N)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001172486487 928222892 /nfs/dbraw/zinc/22/28/92/928222892.db2.gz FMGUXAUYDJYYLI-AEFFLSMTSA-N 2 2 285.435 3.323 20 30 CGEDLP C[C@H](CCCC#N)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001172486487 928222902 /nfs/dbraw/zinc/22/29/02/928222902.db2.gz FMGUXAUYDJYYLI-AEFFLSMTSA-N 2 2 285.435 3.323 20 30 CGEDLP C#CC[N@@H+](CCC[NH+](CC)CC)[C@@H]1CCc2ccccc21 ZINC001307430447 932951723 /nfs/dbraw/zinc/95/17/23/932951723.db2.gz WNEFOLCDNGKUJR-LJQANCHMSA-N 2 2 284.447 3.341 20 30 CGEDLP C#CC[N@H+](CCC[NH+](CC)CC)[C@@H]1CCc2ccccc21 ZINC001307430447 932951725 /nfs/dbraw/zinc/95/17/25/932951725.db2.gz WNEFOLCDNGKUJR-LJQANCHMSA-N 2 2 284.447 3.341 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001473924941 937830447 /nfs/dbraw/zinc/83/04/47/937830447.db2.gz QLJKZTHRCVTPSM-PMPSAXMXSA-N 2 2 252.446 3.297 20 30 CGEDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000423507790 529611490 /nfs/dbraw/zinc/61/14/90/529611490.db2.gz QLKFCCYRMAWRQK-KUHUBIRLSA-N 2 2 293.414 3.471 20 30 CGEDLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423504697 529617276 /nfs/dbraw/zinc/61/72/76/529617276.db2.gz NSVRLRJMMMMAII-IFXJQAMLSA-N 2 2 293.414 3.471 20 30 CGEDLP C=CCCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000573654202 334954785 /nfs/dbraw/zinc/95/47/85/334954785.db2.gz ODPROGZRXSJTDQ-UHFFFAOYSA-N 2 2 259.397 3.314 20 30 CGEDLP C=CCC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000358333348 346543813 /nfs/dbraw/zinc/54/38/13/346543813.db2.gz WRQHNXXLWWLKNP-XIRDDKMYSA-N 2 2 258.409 3.234 20 30 CGEDLP C=CCC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000358333348 346543818 /nfs/dbraw/zinc/54/38/18/346543818.db2.gz WRQHNXXLWWLKNP-XIRDDKMYSA-N 2 2 258.409 3.234 20 30 CGEDLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000594519769 347188250 /nfs/dbraw/zinc/18/82/50/347188250.db2.gz LIXUSJAEVQDWJS-QGTPRVQTSA-N 2 2 283.419 3.226 20 30 CGEDLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000594519769 347188253 /nfs/dbraw/zinc/18/82/53/347188253.db2.gz LIXUSJAEVQDWJS-QGTPRVQTSA-N 2 2 283.419 3.226 20 30 CGEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000595050623 347269429 /nfs/dbraw/zinc/26/94/29/347269429.db2.gz SSNBWSQGBWMMKJ-NVXWUHKLSA-N 2 2 283.419 3.008 20 30 CGEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000595050623 347269431 /nfs/dbraw/zinc/26/94/31/347269431.db2.gz SSNBWSQGBWMMKJ-NVXWUHKLSA-N 2 2 283.419 3.008 20 30 CGEDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000600767601 347832370 /nfs/dbraw/zinc/83/23/70/347832370.db2.gz BTAWKLBYIBJUPO-QGZVFWFLSA-N 2 2 283.375 3.064 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000602502293 347971001 /nfs/dbraw/zinc/97/10/01/347971001.db2.gz GMHBXWQEAZAPBC-GJZGRUSLSA-N 2 2 291.464 3.414 20 30 CGEDLP C[C@H](C[NH2+]C[C@@H](C)CCC#N)[N@H+](C)Cc1ccccc1 ZINC000602549566 347980191 /nfs/dbraw/zinc/98/01/91/347980191.db2.gz DSSUFOMDINYXAC-JKSUJKDBSA-N 2 2 273.424 3.036 20 30 CGEDLP C[C@H](C[NH2+]C[C@@H](C)CCC#N)[N@@H+](C)Cc1ccccc1 ZINC000602549566 347980192 /nfs/dbraw/zinc/98/01/92/347980192.db2.gz DSSUFOMDINYXAC-JKSUJKDBSA-N 2 2 273.424 3.036 20 30 CGEDLP C[N@@H+]1CCC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000611255135 348432013 /nfs/dbraw/zinc/43/20/13/348432013.db2.gz ZEBURJSEWKJOKY-JLAWEPINSA-N 2 2 297.446 3.074 20 30 CGEDLP C[N@H+]1CCC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000611255135 348432015 /nfs/dbraw/zinc/43/20/15/348432015.db2.gz ZEBURJSEWKJOKY-JLAWEPINSA-N 2 2 297.446 3.074 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000616773497 348877975 /nfs/dbraw/zinc/87/79/75/348877975.db2.gz XZLCCIKYRKPDDD-GOSISDBHSA-N 2 2 294.402 3.306 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000616773497 348877977 /nfs/dbraw/zinc/87/79/77/348877977.db2.gz XZLCCIKYRKPDDD-GOSISDBHSA-N 2 2 294.402 3.306 20 30 CGEDLP C=CC[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000122174829 187019177 /nfs/dbraw/zinc/01/91/77/187019177.db2.gz FDBOZJJOWAIWSU-CYBMUJFWSA-N 2 2 255.365 3.235 20 30 CGEDLP C=CCC[C@H]([NH2+]CCCNc1cccc[nH+]1)C1CC1 ZINC000121578048 370875270 /nfs/dbraw/zinc/87/52/70/370875270.db2.gz FRXTYNCKFQJNTG-HNNXBMFYSA-N 2 2 259.397 3.218 20 30 CGEDLP C[N@H+](CCC[NH2+]Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000135672838 371443025 /nfs/dbraw/zinc/44/30/25/371443025.db2.gz AIDWPJZUILDCFV-UHFFFAOYSA-N 2 2 299.443 3.231 20 30 CGEDLP C[N@@H+](CCC[NH2+]Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000135672838 371443028 /nfs/dbraw/zinc/44/30/28/371443028.db2.gz AIDWPJZUILDCFV-UHFFFAOYSA-N 2 2 299.443 3.231 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289068344 371751112 /nfs/dbraw/zinc/75/11/12/371751112.db2.gz AYJPASYWPSDETR-CGTJXYLNSA-N 2 2 285.435 3.179 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289068344 371751116 /nfs/dbraw/zinc/75/11/16/371751116.db2.gz AYJPASYWPSDETR-CGTJXYLNSA-N 2 2 285.435 3.179 20 30 CGEDLP N#CCCC[C@@H]([NH2+]CC[NH+]1CCCCC1)c1ccccc1 ZINC000433021683 372578950 /nfs/dbraw/zinc/57/89/50/372578950.db2.gz HDIRNTBILAVOBL-GOSISDBHSA-N 2 2 285.435 3.497 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)C1CC1 ZINC000439080968 372973037 /nfs/dbraw/zinc/97/30/37/372973037.db2.gz UDJUAKBPDATZPW-RTBURBONSA-N 2 2 286.463 3.494 20 30 CGEDLP Clc1ccccc1C#CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000441268620 373001616 /nfs/dbraw/zinc/00/16/16/373001616.db2.gz YHTZLGMFTDBMLG-OAHLLOKOSA-N 2 2 299.805 3.294 20 30 CGEDLP Clc1ccccc1C#CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000441268620 373001625 /nfs/dbraw/zinc/00/16/25/373001625.db2.gz YHTZLGMFTDBMLG-OAHLLOKOSA-N 2 2 299.805 3.294 20 30 CGEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000442763792 373074919 /nfs/dbraw/zinc/07/49/19/373074919.db2.gz GWHOWQDXGJITIR-QYZOEREBSA-N 2 2 297.446 3.323 20 30 CGEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000442763792 373074928 /nfs/dbraw/zinc/07/49/28/373074928.db2.gz GWHOWQDXGJITIR-QYZOEREBSA-N 2 2 297.446 3.323 20 30 CGEDLP CC1(C#N)CCC([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000449101379 373660618 /nfs/dbraw/zinc/66/06/18/373660618.db2.gz YWDWYTSBOOTHKE-UHFFFAOYSA-N 2 2 294.402 3.434 20 30 CGEDLP C=CC1CC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450397303 374102529 /nfs/dbraw/zinc/10/25/29/374102529.db2.gz YQQDBYSWBUJSML-INIZCTEOSA-N 2 2 250.430 3.147 20 30 CGEDLP C=CC1CC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450397303 374102537 /nfs/dbraw/zinc/10/25/37/374102537.db2.gz YQQDBYSWBUJSML-INIZCTEOSA-N 2 2 250.430 3.147 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2c(F)cccc2CC)CC1 ZINC000474709895 375127079 /nfs/dbraw/zinc/12/70/79/375127079.db2.gz OJXLNPMBZUIHLF-UHFFFAOYSA-N 2 2 276.399 3.128 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)cc2OC)CC1 ZINC000532514324 375952696 /nfs/dbraw/zinc/95/26/96/375952696.db2.gz MZRUWJGSVGQENZ-OAHLLOKOSA-N 2 2 288.435 3.305 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248892261 377423497 /nfs/dbraw/zinc/42/34/97/377423497.db2.gz STUMCBKNTMRVPM-GUDVDZBRSA-N 2 2 297.446 3.323 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000248892261 377423500 /nfs/dbraw/zinc/42/35/00/377423500.db2.gz STUMCBKNTMRVPM-GUDVDZBRSA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(C#N)c1 ZINC000373525277 379293624 /nfs/dbraw/zinc/29/36/24/379293624.db2.gz YUTORKCDQBXCIJ-NNGSBXSVSA-N 2 2 283.419 3.226 20 30 CGEDLP C=C(C)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389846133 379902579 /nfs/dbraw/zinc/90/25/79/379902579.db2.gz QJZSENBOJSTAKE-RDJZCZTQSA-N 2 2 258.409 3.063 20 30 CGEDLP C=C(C)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389846133 379902583 /nfs/dbraw/zinc/90/25/83/379902583.db2.gz QJZSENBOJSTAKE-RDJZCZTQSA-N 2 2 258.409 3.063 20 30 CGEDLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000353986183 380265359 /nfs/dbraw/zinc/26/53/59/380265359.db2.gz HJCUDICQSUBYEE-ZWKOTPCHSA-N 2 2 285.435 3.473 20 30 CGEDLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000353986183 380265365 /nfs/dbraw/zinc/26/53/65/380265365.db2.gz HJCUDICQSUBYEE-ZWKOTPCHSA-N 2 2 285.435 3.473 20 30 CGEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000354221986 380368396 /nfs/dbraw/zinc/36/83/96/380368396.db2.gz IFAQURXDFWXAAM-GUYCJALGSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000354221986 380368400 /nfs/dbraw/zinc/36/84/00/380368400.db2.gz IFAQURXDFWXAAM-GUYCJALGSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000354221986 380368402 /nfs/dbraw/zinc/36/84/02/380368402.db2.gz IFAQURXDFWXAAM-GUYCJALGSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000354221986 380368407 /nfs/dbraw/zinc/36/84/07/380368407.db2.gz IFAQURXDFWXAAM-GUYCJALGSA-N 2 2 289.398 3.002 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000237459045 131033190 /nfs/dbraw/zinc/03/31/90/131033190.db2.gz PLEGYQBQXGCIIB-CZUORRHYSA-N 2 2 274.408 3.143 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccnc2Cl)CC1 ZINC000152977530 392509993 /nfs/dbraw/zinc/50/99/93/392509993.db2.gz ZMAYGSIXWWWVSO-CYBMUJFWSA-N 2 2 293.842 3.426 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338778280 392927255 /nfs/dbraw/zinc/92/72/55/392927255.db2.gz KGCRDNDGULSBMV-UHFFFAOYSA-N 2 2 262.441 3.195 20 30 CGEDLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(C#N)cc1 ZINC000278864846 393327119 /nfs/dbraw/zinc/32/71/19/393327119.db2.gz WODYQXIRXMXMFV-KRWDZBQOSA-N 2 2 294.402 3.496 20 30 CGEDLP C=CCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361084975 393668925 /nfs/dbraw/zinc/66/89/25/393668925.db2.gz CUVRGSXESWFUHB-UHFFFAOYSA-N 2 2 261.413 3.342 20 30 CGEDLP N#Cc1cccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000073380821 165078210 /nfs/dbraw/zinc/07/82/10/165078210.db2.gz TUFYUMIZRFXCTE-UHFFFAOYSA-N 2 2 290.370 3.157 20 30 CGEDLP C=CCC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CC1 ZINC000367435395 267090405 /nfs/dbraw/zinc/09/04/05/267090405.db2.gz BSVWTXLXPVMTIY-HNNXBMFYSA-N 2 2 259.397 3.054 20 30 CGEDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360818164 276187982 /nfs/dbraw/zinc/18/79/82/276187982.db2.gz FIKZJQMPCPHTRI-HKUYNNGSSA-N 2 2 297.446 3.400 20 30 CGEDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360818164 276187983 /nfs/dbraw/zinc/18/79/83/276187983.db2.gz FIKZJQMPCPHTRI-HKUYNNGSSA-N 2 2 297.446 3.400 20 30 CGEDLP C=CCCOCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090883676 327101521 /nfs/dbraw/zinc/10/15/21/327101521.db2.gz DXUPWEKFMPZQFJ-OAHLLOKOSA-N 2 2 285.391 3.116 20 30 CGEDLP C[C@H](C#N)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000560116511 327284726 /nfs/dbraw/zinc/28/47/26/327284726.db2.gz IRWJVPRRRLYVKW-CQSZACIVSA-N 2 2 279.472 3.415 20 30 CGEDLP C=C(CC)C[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423167763 330174313 /nfs/dbraw/zinc/17/43/13/330174313.db2.gz XCWAIXIJMLVDNZ-IAGOWNOFSA-N 2 2 274.408 3.044 20 30 CGEDLP C=CCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423369846 330194891 /nfs/dbraw/zinc/19/48/91/330194891.db2.gz OYGHWOGWAMYXBZ-RVSPLBMKSA-N 2 2 294.389 3.355 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)[C@@H](C)CCC)CC1 ZINC000177909960 333065586 /nfs/dbraw/zinc/06/55/86/333065586.db2.gz BVGBJIZJLHVJSX-GOEBONIOSA-N 2 2 252.446 3.441 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000193132214 526453807 /nfs/dbraw/zinc/45/38/07/526453807.db2.gz IPBADEACSDVZSD-HIFRSBDPSA-N 2 2 250.430 3.051 20 30 CGEDLP C(#Cc1ccccc1)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000736355126 572783883 /nfs/dbraw/zinc/78/38/83/572783883.db2.gz DQVKFYACJKPLFP-UHFFFAOYSA-N 2 2 287.366 3.014 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000895705631 619873070 /nfs/dbraw/zinc/87/30/70/619873070.db2.gz DHBRURSZOCKMQV-WBVHZDCISA-N 2 2 282.391 3.154 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000895705630 619873297 /nfs/dbraw/zinc/87/32/97/619873297.db2.gz DHBRURSZOCKMQV-RDJZCZTQSA-N 2 2 282.391 3.154 20 30 CGEDLP CC1([NH+]2CCC2)CCC(/[NH+]=C\c2ccccc2O)CC1 ZINC000899227068 620626969 /nfs/dbraw/zinc/62/69/69/620626969.db2.gz DWWPVJKVAGKVKE-AQTBWJFISA-N 2 2 272.392 3.218 20 30 CGEDLP C#CCOc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000765257632 627243905 /nfs/dbraw/zinc/24/39/05/627243905.db2.gz JIVNMCJMMLGNEU-MRXNPFEDSA-N 2 2 297.402 3.026 20 30 CGEDLP C#CCCCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000773033593 627844868 /nfs/dbraw/zinc/84/48/68/627844868.db2.gz AHJHEHPPFXQCCZ-UHFFFAOYSA-N 2 2 299.462 3.115 20 30 CGEDLP C=CCCCCC[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000793556417 629483576 /nfs/dbraw/zinc/48/35/76/629483576.db2.gz GJQAUWAAXIBFNB-CABCVRRESA-N 2 2 261.413 3.313 20 30 CGEDLP CCC(=[NH+]Nc1cc[nH+]cc1C)c1ccc(N(C)C)cc1 ZINC000863156778 629483642 /nfs/dbraw/zinc/48/36/42/629483642.db2.gz BLSMHDKBVRQSPV-UHFFFAOYSA-N 2 2 282.391 3.104 20 30 CGEDLP C#CC[N@H+](C)CCCNc1cc[nH+]c2c(Cl)cccc12 ZINC000814928886 631686169 /nfs/dbraw/zinc/68/61/69/631686169.db2.gz ASHFCHULGUHNQO-UHFFFAOYSA-N 2 2 287.794 3.255 20 30 CGEDLP C#CC[N@@H+](C)CCCNc1cc[nH+]c2c(Cl)cccc12 ZINC000814928886 631686172 /nfs/dbraw/zinc/68/61/72/631686172.db2.gz ASHFCHULGUHNQO-UHFFFAOYSA-N 2 2 287.794 3.255 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000817942509 632241148 /nfs/dbraw/zinc/24/11/48/632241148.db2.gz PEJHVYTZEGTKRW-MSOLQXFVSA-N 2 2 287.451 3.087 20 30 CGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000817953220 632248073 /nfs/dbraw/zinc/24/80/73/632248073.db2.gz XMVMZHUZEVMMID-DZGCQCFKSA-N 2 2 294.826 3.221 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)CCC(F)(F)F)CC1 ZINC000872032856 633951750 /nfs/dbraw/zinc/95/17/50/633951750.db2.gz BCQOPABMWAWOEX-GFCCVEGCSA-N 2 2 278.362 3.348 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883388136 636730106 /nfs/dbraw/zinc/73/01/06/636730106.db2.gz NQMOTPSVLDIMFM-NXHRZFHOSA-N 2 2 294.402 3.296 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883388134 636730699 /nfs/dbraw/zinc/73/06/99/636730699.db2.gz NQMOTPSVLDIMFM-KBAYOESNSA-N 2 2 294.402 3.296 20 30 CGEDLP CC[C@@H](CC#N)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255388794 806630619 /nfs/dbraw/zinc/63/06/19/806630619.db2.gz HTFFGBCVSOYUCQ-ZWKOTPCHSA-N 2 2 285.435 3.323 20 30 CGEDLP CC[C@@H](CC#N)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388794 806630623 /nfs/dbraw/zinc/63/06/23/806630623.db2.gz HTFFGBCVSOYUCQ-ZWKOTPCHSA-N 2 2 285.435 3.323 20 30 CGEDLP C[C@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)[NH+]1CCCCC1 ZINC000315608278 799237375 /nfs/dbraw/zinc/23/73/75/799237375.db2.gz IGDBPPABOAIDTM-IPJUCJBFSA-N 2 2 297.446 3.074 20 30 CGEDLP C#C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000702304315 799908178 /nfs/dbraw/zinc/90/81/78/799908178.db2.gz AKUFKBOGFXPZOL-INIZCTEOSA-N 2 2 267.376 3.010 20 30 CGEDLP Cc1ccc(C#N)c(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001245605670 803850897 /nfs/dbraw/zinc/85/08/97/803850897.db2.gz YXASALRKEWHEGI-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(C#N)c(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001245605670 803850905 /nfs/dbraw/zinc/85/09/05/803850905.db2.gz YXASALRKEWHEGI-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC001245994785 804096524 /nfs/dbraw/zinc/09/65/24/804096524.db2.gz PRLOKHUGBBSSSW-MSOLQXFVSA-N 2 2 290.451 3.164 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001246061576 804104711 /nfs/dbraw/zinc/10/47/11/804104711.db2.gz GDYBKTYWCADWJT-ZWKOTPCHSA-N 2 2 296.499 3.314 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001246061576 804104716 /nfs/dbraw/zinc/10/47/16/804104716.db2.gz GDYBKTYWCADWJT-ZWKOTPCHSA-N 2 2 296.499 3.314 20 30 CGEDLP CCCCCCC[C@H](C)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246141018 804163745 /nfs/dbraw/zinc/16/37/45/804163745.db2.gz HTLIDSAUYMUZJR-IRXDYDNUSA-N 3 2 295.515 3.199 20 30 CGEDLP CCCCCCC[C@@H](CCC)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246237567 804230495 /nfs/dbraw/zinc/23/04/95/804230495.db2.gz AHJUZJRXSJKTFV-PMPSAXMXSA-N 2 2 270.461 3.092 20 30 CGEDLP C=CCc1cc(C)c[nH+]c1NCC[C@H]1CCC[N@@H+](C)C1 ZINC001165260509 806982265 /nfs/dbraw/zinc/98/22/65/806982265.db2.gz HJEYNRNEJRCWEN-OAHLLOKOSA-N 2 2 273.424 3.262 20 30 CGEDLP C=CCc1cc(C)c[nH+]c1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165260509 806982269 /nfs/dbraw/zinc/98/22/69/806982269.db2.gz HJEYNRNEJRCWEN-OAHLLOKOSA-N 2 2 273.424 3.262 20 30 CGEDLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@](C)(C#N)CC(C)C ZINC001258908399 807672818 /nfs/dbraw/zinc/67/28/18/807672818.db2.gz YYDIWXLQZUDVJR-HOTGVXAUSA-N 2 2 267.461 3.415 20 30 CGEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](CCC#N)C1CCCC1)C2 ZINC001172120085 808182112 /nfs/dbraw/zinc/18/21/12/808182112.db2.gz CDUMUYAAQBLGRU-BJWYYQGGSA-N 2 2 275.440 3.160 20 30 CGEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+](CCC#N)C1CCCC1)C2 ZINC001172120085 808182114 /nfs/dbraw/zinc/18/21/14/808182114.db2.gz CDUMUYAAQBLGRU-BJWYYQGGSA-N 2 2 275.440 3.160 20 30 CGEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+](CCC#N)C1CCCC1)C2 ZINC001172120085 808182116 /nfs/dbraw/zinc/18/21/16/808182116.db2.gz CDUMUYAAQBLGRU-BJWYYQGGSA-N 2 2 275.440 3.160 20 30 CGEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](CCC#N)C1CCCC1)C2 ZINC001172120085 808182119 /nfs/dbraw/zinc/18/21/19/808182119.db2.gz CDUMUYAAQBLGRU-BJWYYQGGSA-N 2 2 275.440 3.160 20 30 CGEDLP C[C@H](Cc1ccc(C#N)cc1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001172319963 808229192 /nfs/dbraw/zinc/22/91/92/808229192.db2.gz SLXOMGKHPBEGKX-RHSMWYFYSA-N 2 2 294.402 3.025 20 30 CGEDLP C[C@H](CCCC#N)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001172492864 808351745 /nfs/dbraw/zinc/35/17/45/808351745.db2.gz PEGYCWUSSNAZHC-CYBMUJFWSA-N 2 2 268.364 3.264 20 30 CGEDLP C[C@H](CCCC#N)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172506503 808361590 /nfs/dbraw/zinc/36/15/90/808361590.db2.gz VFKZXMHJUPWBHI-OAHLLOKOSA-N 2 2 277.456 3.408 20 30 CGEDLP C[C@H](CCCC#N)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172506503 808361599 /nfs/dbraw/zinc/36/15/99/808361599.db2.gz VFKZXMHJUPWBHI-OAHLLOKOSA-N 2 2 277.456 3.408 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)CC1 ZINC001208178311 813728590 /nfs/dbraw/zinc/72/85/90/813728590.db2.gz PXPZCBCDEADLRH-SQNIBIBYSA-N 2 2 274.452 3.315 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)CC1 ZINC001208178311 813728594 /nfs/dbraw/zinc/72/85/94/813728594.db2.gz PXPZCBCDEADLRH-SQNIBIBYSA-N 2 2 274.452 3.315 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)CC1 ZINC001208178311 813728596 /nfs/dbraw/zinc/72/85/96/813728596.db2.gz PXPZCBCDEADLRH-SQNIBIBYSA-N 2 2 274.452 3.315 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)CC1 ZINC001208178311 813728599 /nfs/dbraw/zinc/72/85/99/813728599.db2.gz PXPZCBCDEADLRH-SQNIBIBYSA-N 2 2 274.452 3.315 20 30 CGEDLP C=CCCCCCC[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001209435830 814037090 /nfs/dbraw/zinc/03/70/90/814037090.db2.gz KEYVFCKQMFXHHI-UHFFFAOYSA-N 3 2 297.531 3.328 20 30 CGEDLP C[C@H]([NH3+])C[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001236142912 819344279 /nfs/dbraw/zinc/34/42/79/819344279.db2.gz DRBFDQJXVYZYCH-HOTGVXAUSA-N 2 2 293.414 3.469 20 30 CGEDLP C[C@H]([NH3+])C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001236142912 819344285 /nfs/dbraw/zinc/34/42/85/819344285.db2.gz DRBFDQJXVYZYCH-HOTGVXAUSA-N 2 2 293.414 3.469 20 30 CGEDLP Cc1cc(C#N)cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001242479745 823006995 /nfs/dbraw/zinc/00/69/95/823006995.db2.gz HHQXVNQISVNWGS-IBGZPJMESA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1cc(C#N)cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001242479745 823007000 /nfs/dbraw/zinc/00/70/00/823007000.db2.gz HHQXVNQISVNWGS-IBGZPJMESA-N 2 2 291.398 3.067 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001474136576 937841785 /nfs/dbraw/zinc/84/17/85/937841785.db2.gz JHSPMOJSJPVIPC-BZUAXINKSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001474136576 937841787 /nfs/dbraw/zinc/84/17/87/937841787.db2.gz JHSPMOJSJPVIPC-BZUAXINKSA-N 2 2 264.457 3.441 20 30 CGEDLP N#Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)s1 ZINC001580065825 962684218 /nfs/dbraw/zinc/68/42/18/962684218.db2.gz TWDONGHFUPPEJO-WMLDXEAASA-N 2 2 297.427 3.203 20 30 CGEDLP C=CC[C@H]1CC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000651752443 398282630 /nfs/dbraw/zinc/28/26/30/398282630.db2.gz GGWAXTXVOWRPMS-LSDHHAIUSA-N 2 2 259.397 3.218 20 30 CGEDLP CC/C=C/C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000295133359 199363755 /nfs/dbraw/zinc/36/37/55/199363755.db2.gz YSSKZFJRLKDPBR-ONEGZZNKSA-N 2 2 283.419 3.078 20 30 CGEDLP N#CC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCC1 ZINC000593653163 347099348 /nfs/dbraw/zinc/09/93/48/347099348.db2.gz DGGFGLXCVLKQON-UHFFFAOYSA-N 2 2 286.404 3.107 20 30 CGEDLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1(CC#N)CC1 ZINC000379679267 346555393 /nfs/dbraw/zinc/55/53/93/346555393.db2.gz IJTZWWDVSQOXPX-UHFFFAOYSA-N 2 2 285.435 3.180 20 30 CGEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CC1(CC#N)CC1 ZINC000379679267 346555398 /nfs/dbraw/zinc/55/53/98/346555398.db2.gz IJTZWWDVSQOXPX-UHFFFAOYSA-N 2 2 285.435 3.180 20 30 CGEDLP CC1(C)C[C@]1(C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594995372 347252200 /nfs/dbraw/zinc/25/22/00/347252200.db2.gz IYYJYIDPLRMPOR-IBGZPJMESA-N 2 2 297.446 3.301 20 30 CGEDLP C=CCCSCC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000594960838 347241798 /nfs/dbraw/zinc/24/17/98/347241798.db2.gz XDNXZICMBIVACC-UHFFFAOYSA-N 2 2 275.421 3.042 20 30 CGEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000595050624 347269193 /nfs/dbraw/zinc/26/91/93/347269193.db2.gz SSNBWSQGBWMMKJ-RDJZCZTQSA-N 2 2 283.419 3.008 20 30 CGEDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000595050624 347269194 /nfs/dbraw/zinc/26/91/94/347269194.db2.gz SSNBWSQGBWMMKJ-RDJZCZTQSA-N 2 2 283.419 3.008 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000602502292 347970370 /nfs/dbraw/zinc/97/03/70/347970370.db2.gz GMHBXWQEAZAPBC-CABCVRRESA-N 2 2 291.464 3.414 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000602502294 347970910 /nfs/dbraw/zinc/97/09/10/347970910.db2.gz GMHBXWQEAZAPBC-HUUCEWRRSA-N 2 2 291.464 3.414 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000602549564 347980159 /nfs/dbraw/zinc/98/01/59/347980159.db2.gz DSSUFOMDINYXAC-HOTGVXAUSA-N 2 2 273.424 3.036 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000602549564 347980163 /nfs/dbraw/zinc/98/01/63/347980163.db2.gz DSSUFOMDINYXAC-HOTGVXAUSA-N 2 2 273.424 3.036 20 30 CGEDLP C=CC[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000625705656 350201180 /nfs/dbraw/zinc/20/11/80/350201180.db2.gz WYXILKQIJFRGRB-OAHLLOKOSA-N 2 2 267.376 3.270 20 30 CGEDLP C=CC[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000625705656 350201181 /nfs/dbraw/zinc/20/11/81/350201181.db2.gz WYXILKQIJFRGRB-OAHLLOKOSA-N 2 2 267.376 3.270 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C[N@@H+]1C1CC1 ZINC000090665831 370063561 /nfs/dbraw/zinc/06/35/61/370063561.db2.gz HKYXBIGXNVAWJD-HFTRVMKXSA-N 2 2 283.419 3.246 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C[N@H+]1C1CC1 ZINC000090665831 370063566 /nfs/dbraw/zinc/06/35/66/370063566.db2.gz HKYXBIGXNVAWJD-HFTRVMKXSA-N 2 2 283.419 3.246 20 30 CGEDLP C=CCOc1ccccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253617 370094745 /nfs/dbraw/zinc/09/47/45/370094745.db2.gz PLTMROIMXLAEFC-MRXNPFEDSA-N 2 2 288.435 3.025 20 30 CGEDLP C=CCOc1ccccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000092253617 370094752 /nfs/dbraw/zinc/09/47/52/370094752.db2.gz PLTMROIMXLAEFC-MRXNPFEDSA-N 2 2 288.435 3.025 20 30 CGEDLP C=CCOc1ccccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253617 370094757 /nfs/dbraw/zinc/09/47/57/370094757.db2.gz PLTMROIMXLAEFC-MRXNPFEDSA-N 2 2 288.435 3.025 20 30 CGEDLP C=CCOc1ccccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253617 370094761 /nfs/dbraw/zinc/09/47/61/370094761.db2.gz PLTMROIMXLAEFC-MRXNPFEDSA-N 2 2 288.435 3.025 20 30 CGEDLP C=CCOc1ccccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648623 370099225 /nfs/dbraw/zinc/09/92/25/370099225.db2.gz CDNDLTYPYDRQNE-UHFFFAOYSA-N 2 2 297.402 3.285 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@@H]2CC)CC1 ZINC000430715415 372392183 /nfs/dbraw/zinc/39/21/83/372392183.db2.gz AEDVHDARQMJYRU-YQQAZPJKSA-N 2 2 264.457 3.441 20 30 CGEDLP C[C@H]1C[C@H]([NH2+]CC2(CC#N)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000430770753 372396780 /nfs/dbraw/zinc/39/67/80/372396780.db2.gz VPXBVTQUGUMMQE-WMZOPIPTSA-N 2 2 297.446 3.180 20 30 CGEDLP C[C@H]1C[C@H]([NH2+]CC2(CC#N)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000430770753 372396785 /nfs/dbraw/zinc/39/67/85/372396785.db2.gz VPXBVTQUGUMMQE-WMZOPIPTSA-N 2 2 297.446 3.180 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442635066 373059207 /nfs/dbraw/zinc/05/92/07/373059207.db2.gz OOHPGIQLYKAGTC-LSDHHAIUSA-N 2 2 282.391 3.017 20 30 CGEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000446978193 373390424 /nfs/dbraw/zinc/39/04/24/373390424.db2.gz VPCJKURNGXUJTH-ZBFHGGJFSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000446978193 373390434 /nfs/dbraw/zinc/39/04/34/373390434.db2.gz VPCJKURNGXUJTH-ZBFHGGJFSA-N 2 2 250.430 3.338 20 30 CGEDLP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000449445790 373724928 /nfs/dbraw/zinc/72/49/28/373724928.db2.gz LXKPBBAIXISHDR-WDSOQIARSA-N 2 2 297.446 3.323 20 30 CGEDLP N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000449445790 373724931 /nfs/dbraw/zinc/72/49/31/373724931.db2.gz LXKPBBAIXISHDR-WDSOQIARSA-N 2 2 297.446 3.323 20 30 CGEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccccc1C#N ZINC000191476567 375633668 /nfs/dbraw/zinc/63/36/68/375633668.db2.gz KRRUIIQGKBODLM-UHFFFAOYSA-N 2 2 296.418 3.229 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H](C)CCCC)CC1 ZINC000565444359 377487293 /nfs/dbraw/zinc/48/72/93/377487293.db2.gz LRIRWRGHEPOHAG-HUUCEWRRSA-N 2 2 252.446 3.441 20 30 CGEDLP Cc1ccc(CCC[NH2+]C2(c3cccc(C#N)c3)CC2)c[nH+]1 ZINC000342838708 377828382 /nfs/dbraw/zinc/82/83/82/377828382.db2.gz DDDYIEGMCCLTPP-UHFFFAOYSA-N 2 2 291.398 3.473 20 30 CGEDLP C#CCCC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000271034367 378433630 /nfs/dbraw/zinc/43/36/30/378433630.db2.gz LMUFLPJPUGHVFS-MRXNPFEDSA-N 2 2 281.403 3.223 20 30 CGEDLP C#CCCC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000271034367 378433634 /nfs/dbraw/zinc/43/36/34/378433634.db2.gz LMUFLPJPUGHVFS-MRXNPFEDSA-N 2 2 281.403 3.223 20 30 CGEDLP CC(C)(C#N)CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000346965095 378699992 /nfs/dbraw/zinc/69/99/92/378699992.db2.gz NZJREXYPHNONKI-UHFFFAOYSA-N 2 2 288.439 3.315 20 30 CGEDLP C=CCCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000274595378 378858480 /nfs/dbraw/zinc/85/84/80/378858480.db2.gz OFKWVLYKSGTBOK-UHFFFAOYSA-N 2 2 297.446 3.469 20 30 CGEDLP C=C(C)CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000351767390 379743544 /nfs/dbraw/zinc/74/35/44/379743544.db2.gz VERITSLTEYYPMZ-CQSZACIVSA-N 2 2 255.365 3.489 20 30 CGEDLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000361455942 381752896 /nfs/dbraw/zinc/75/28/96/381752896.db2.gz GWIJPSBFASPOEV-BEFAXECRSA-N 2 2 297.446 3.301 20 30 CGEDLP Clc1ccc(C#CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000365884014 382298407 /nfs/dbraw/zinc/29/84/07/382298407.db2.gz HBYTXKJXZUYVIT-OAHLLOKOSA-N 2 2 299.805 3.294 20 30 CGEDLP Clc1ccc(C#CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000365884014 382298417 /nfs/dbraw/zinc/29/84/17/382298417.db2.gz HBYTXKJXZUYVIT-OAHLLOKOSA-N 2 2 299.805 3.294 20 30 CGEDLP Cn1c2ccccc2[nH+]c1CCC[NH2+]CC(C)(C)CCC#N ZINC000174414178 392640939 /nfs/dbraw/zinc/64/09/39/392640939.db2.gz MUFRRQBGNPFXAW-UHFFFAOYSA-N 2 2 298.434 3.425 20 30 CGEDLP C[C@@H](CCC#N)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000411688034 392984774 /nfs/dbraw/zinc/98/47/74/392984774.db2.gz HPQOXFNUZZUBON-GJZGRUSLSA-N 2 2 286.423 3.091 20 30 CGEDLP C[C@@H](CCC#N)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000411688034 392984781 /nfs/dbraw/zinc/98/47/81/392984781.db2.gz HPQOXFNUZZUBON-GJZGRUSLSA-N 2 2 286.423 3.091 20 30 CGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341835264 392993706 /nfs/dbraw/zinc/99/37/06/392993706.db2.gz NHNLTOMCOMJIFF-UPRAQXHNSA-N 2 2 295.430 3.008 20 30 CGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341835264 392993711 /nfs/dbraw/zinc/99/37/11/392993711.db2.gz NHNLTOMCOMJIFF-UPRAQXHNSA-N 2 2 295.430 3.008 20 30 CGEDLP Clc1ccccc1C#CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676714511 543412078 /nfs/dbraw/zinc/41/20/78/543412078.db2.gz LDJYXOZVDQHGOU-MRXNPFEDSA-N 2 2 299.805 3.225 20 30 CGEDLP Clc1ccccc1C#CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676714511 543412079 /nfs/dbraw/zinc/41/20/79/543412079.db2.gz LDJYXOZVDQHGOU-MRXNPFEDSA-N 2 2 299.805 3.225 20 30 CGEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000678235696 543498466 /nfs/dbraw/zinc/49/84/66/543498466.db2.gz YHCMLQPAIQHLIV-KRWDZBQOSA-N 2 2 297.402 3.285 20 30 CGEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000678235696 543498470 /nfs/dbraw/zinc/49/84/70/543498470.db2.gz YHCMLQPAIQHLIV-KRWDZBQOSA-N 2 2 297.402 3.285 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655851186 419121830 /nfs/dbraw/zinc/12/18/30/419121830.db2.gz QFHKIBBKELKHSZ-TWMKSMIVSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655851186 419121834 /nfs/dbraw/zinc/12/18/34/419121834.db2.gz QFHKIBBKELKHSZ-TWMKSMIVSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660852678 419203913 /nfs/dbraw/zinc/20/39/13/419203913.db2.gz FLCSRHVLARYXMD-UHFFFAOYSA-N 2 2 255.365 3.003 20 30 CGEDLP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCCC[N@H+]1C(C)C ZINC000662089748 419334296 /nfs/dbraw/zinc/33/42/96/419334296.db2.gz FAFMKJQFYLNFFS-IXDOHACOSA-N 2 2 262.441 3.432 20 30 CGEDLP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CCCC[N@@H+]1C(C)C ZINC000662089748 419334298 /nfs/dbraw/zinc/33/42/98/419334298.db2.gz FAFMKJQFYLNFFS-IXDOHACOSA-N 2 2 262.441 3.432 20 30 CGEDLP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCC[NH+]1C(C)C ZINC000662089748 419334300 /nfs/dbraw/zinc/33/43/00/419334300.db2.gz FAFMKJQFYLNFFS-IXDOHACOSA-N 2 2 262.441 3.432 20 30 CGEDLP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCCC[NH+]1C(C)C ZINC000662089748 419334301 /nfs/dbraw/zinc/33/43/01/419334301.db2.gz FAFMKJQFYLNFFS-IXDOHACOSA-N 2 2 262.441 3.432 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc3cnccc3o2)CC1 ZINC000657876667 419398214 /nfs/dbraw/zinc/39/82/14/419398214.db2.gz ZBOSTVYQAUWWLP-ZDUSSCGKSA-N 2 2 285.391 3.129 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccsc2)CC1 ZINC000297682975 260131981 /nfs/dbraw/zinc/13/19/81/260131981.db2.gz LQBQTVVLIVULLM-OAHLLOKOSA-N 2 2 264.438 3.439 20 30 CGEDLP C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000193298359 262220139 /nfs/dbraw/zinc/22/01/39/262220139.db2.gz CUWBAMYUPDQWQF-CYGHRXIMSA-N 2 2 285.435 3.350 20 30 CGEDLP CC[C@H](C)[N@H+](C)CCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331233551 264173504 /nfs/dbraw/zinc/17/35/04/264173504.db2.gz JTQMPWOWENCUIC-ZDUSSCGKSA-N 2 2 292.427 3.063 20 30 CGEDLP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000331233551 264173505 /nfs/dbraw/zinc/17/35/05/264173505.db2.gz JTQMPWOWENCUIC-ZDUSSCGKSA-N 2 2 292.427 3.063 20 30 CGEDLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000565044706 322056655 /nfs/dbraw/zinc/05/66/55/322056655.db2.gz SAAYYQVTYWNPOF-IBGZPJMESA-N 2 2 293.414 3.471 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(CC#N)CC1 ZINC000558836483 327124289 /nfs/dbraw/zinc/12/42/89/327124289.db2.gz XBNHISGTMOLEEC-UHFFFAOYSA-N 2 2 294.402 3.306 20 30 CGEDLP C#CCCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000178055330 329191894 /nfs/dbraw/zinc/19/18/94/329191894.db2.gz HCNCQIHSMBREPJ-UHFFFAOYSA-N 2 2 290.838 3.307 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273461056 330093141 /nfs/dbraw/zinc/09/31/41/330093141.db2.gz CTENXDNFMFJWPI-HNNXBMFYSA-N 2 2 288.435 3.310 20 30 CGEDLP C=CCC[C@H]([NH2+]CC[NH+]1CCC(C)CC1)C1CC1 ZINC000120172140 330386022 /nfs/dbraw/zinc/38/60/22/330386022.db2.gz XUIHSTDZVDZPQD-INIZCTEOSA-N 2 2 250.430 3.053 20 30 CGEDLP C=CCC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C1CC1 ZINC000439004658 330732172 /nfs/dbraw/zinc/73/21/72/330732172.db2.gz RGVLPUSTDIBBPQ-KRWDZBQOSA-N 2 2 294.483 3.210 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCC)C2CCC2)CC1 ZINC000453098726 331088986 /nfs/dbraw/zinc/08/89/86/331088986.db2.gz KHPRFESBNZNYKV-INIZCTEOSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCCCCC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000193328670 333248136 /nfs/dbraw/zinc/24/81/36/333248136.db2.gz JZBOYXBILSIJGY-INIZCTEOSA-N 2 2 250.430 3.293 20 30 CGEDLP C=CCCCCC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000193328670 333248137 /nfs/dbraw/zinc/24/81/37/333248137.db2.gz JZBOYXBILSIJGY-INIZCTEOSA-N 2 2 250.430 3.293 20 30 CGEDLP C[C@@H]1C[C@@H]([NH+](C)CC#Cc2ccccc2Cl)CC[N@@H+]1C ZINC000135123059 334116610 /nfs/dbraw/zinc/11/66/10/334116610.db2.gz OSLLPYNUINOGRE-ZBFHGGJFSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@@H]1C[C@@H]([NH+](C)CC#Cc2ccccc2Cl)CC[N@H+]1C ZINC000135123059 334116611 /nfs/dbraw/zinc/11/66/11/334116611.db2.gz OSLLPYNUINOGRE-ZBFHGGJFSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@@H]1C[C@@H]([N@H+](C)CC#Cc2ccccc2Cl)CC[NH+]1C ZINC000135123059 334116612 /nfs/dbraw/zinc/11/66/12/334116612.db2.gz OSLLPYNUINOGRE-ZBFHGGJFSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC#Cc2ccccc2Cl)CC[NH+]1C ZINC000135123059 334116613 /nfs/dbraw/zinc/11/66/13/334116613.db2.gz OSLLPYNUINOGRE-ZBFHGGJFSA-N 2 2 290.838 3.106 20 30 CGEDLP C=CCCC[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000344587151 527197289 /nfs/dbraw/zinc/19/72/89/527197289.db2.gz RZYQJXQCQARQIN-OAGGEKHMSA-N 2 2 250.430 3.290 20 30 CGEDLP C=CCCC[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000344587151 527197299 /nfs/dbraw/zinc/19/72/99/527197299.db2.gz RZYQJXQCQARQIN-OAGGEKHMSA-N 2 2 250.430 3.290 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)C1CC1 ZINC000747857478 572951552 /nfs/dbraw/zinc/95/15/52/572951552.db2.gz OSGLBMWJRQOKLR-ZBFHGGJFSA-N 2 2 250.430 3.195 20 30 CGEDLP C=C(C)COCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902879452 621481491 /nfs/dbraw/zinc/48/14/91/621481491.db2.gz VZQCRGOYTWEDPE-HNNXBMFYSA-N 2 2 285.391 3.116 20 30 CGEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000921795258 625878345 /nfs/dbraw/zinc/87/83/45/625878345.db2.gz UYKLQXKHVNSFQS-INIZCTEOSA-N 2 2 294.402 3.039 20 30 CGEDLP C=CCCCCC[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000793556420 629483193 /nfs/dbraw/zinc/48/31/93/629483193.db2.gz GJQAUWAAXIBFNB-GJZGRUSLSA-N 2 2 261.413 3.313 20 30 CGEDLP C=CCCCC[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939481 632238905 /nfs/dbraw/zinc/23/89/05/632238905.db2.gz BRBDMJNULJEAPD-QAPCUYQASA-N 2 2 289.467 3.477 20 30 CGEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000817953221 632247863 /nfs/dbraw/zinc/24/78/63/632247863.db2.gz XMVMZHUZEVMMID-HIFRSBDPSA-N 2 2 294.826 3.221 20 30 CGEDLP C=CCC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000826915596 633443841 /nfs/dbraw/zinc/44/38/41/633443841.db2.gz PPDVRBMTCNSDBF-NVXWUHKLSA-N 2 2 258.409 3.063 20 30 CGEDLP C=CCC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000826915596 633443845 /nfs/dbraw/zinc/44/38/45/633443845.db2.gz PPDVRBMTCNSDBF-NVXWUHKLSA-N 2 2 258.409 3.063 20 30 CGEDLP CCCCCCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000852009525 637570752 /nfs/dbraw/zinc/57/07/52/637570752.db2.gz MPDXQIJXMMTIPK-KRWDZBQOSA-N 2 2 282.472 3.144 20 30 CGEDLP CCCCCCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000852009525 637570755 /nfs/dbraw/zinc/57/07/55/637570755.db2.gz MPDXQIJXMMTIPK-KRWDZBQOSA-N 2 2 282.472 3.144 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000926746775 638806681 /nfs/dbraw/zinc/80/66/81/638806681.db2.gz UOTWNZNLLAXWOY-ZBFHGGJFSA-N 2 2 277.456 3.311 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000926746775 638806682 /nfs/dbraw/zinc/80/66/82/638806682.db2.gz UOTWNZNLLAXWOY-ZBFHGGJFSA-N 2 2 277.456 3.311 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001252136682 806024536 /nfs/dbraw/zinc/02/45/36/806024536.db2.gz TVKCQNLGAKJRJS-SJORKVTESA-N 2 2 284.488 3.172 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CCC[NH2+]C1 ZINC001245978242 804094242 /nfs/dbraw/zinc/09/42/42/804094242.db2.gz ACPCKWBWARITIP-IRXDYDNUSA-N 2 2 284.488 3.220 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001246015677 804097079 /nfs/dbraw/zinc/09/70/79/804097079.db2.gz WPIGEDJBSOXROD-DLBZAZTESA-N 2 2 284.488 3.301 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC001246015677 804097089 /nfs/dbraw/zinc/09/70/89/804097089.db2.gz WPIGEDJBSOXROD-DLBZAZTESA-N 2 2 284.488 3.301 20 30 CGEDLP C=CC[NH+](CC=C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141242912 804622485 /nfs/dbraw/zinc/62/24/85/804622485.db2.gz OAGKJYUEYAGNMS-UHFFFAOYSA-N 2 2 253.349 3.046 20 30 CGEDLP N#Cc1ccc2cc[nH+]c(NC[C@]3(F)CCCC[NH2+]C3)c2c1 ZINC001155117332 805540987 /nfs/dbraw/zinc/54/09/87/805540987.db2.gz OZFUQNKMIMKWMB-KRWDZBQOSA-N 2 2 298.365 3.000 20 30 CGEDLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257009711 807026659 /nfs/dbraw/zinc/02/66/59/807026659.db2.gz OQNYFVZPYRWEEJ-NNGSBXSVSA-N 2 2 285.435 3.124 20 30 CGEDLP C[C@@H](Cc1cccc(C#N)c1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001171220659 808010877 /nfs/dbraw/zinc/01/08/77/808010877.db2.gz APTQALVFCDJYCN-WMLDXEAASA-N 2 2 294.402 3.025 20 30 CGEDLP N#CCC1CCC([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001173331945 808615736 /nfs/dbraw/zinc/61/57/36/808615736.db2.gz VIMMDWNLDXKDCJ-UHFFFAOYSA-N 2 2 299.418 3.397 20 30 CGEDLP N#Cc1ccc2c(c1)C[N@@H+](CCC[NH2+]C1CCCCC1)CC2 ZINC001210194830 814331104 /nfs/dbraw/zinc/33/11/04/814331104.db2.gz DLHNBRHOIHRXDH-UHFFFAOYSA-N 2 2 297.446 3.229 20 30 CGEDLP N#Cc1ccc2c(c1)C[N@H+](CCC[NH2+]C1CCCCC1)CC2 ZINC001210194830 814331113 /nfs/dbraw/zinc/33/11/13/814331113.db2.gz DLHNBRHOIHRXDH-UHFFFAOYSA-N 2 2 297.446 3.229 20 30 CGEDLP CCCCCCCCC[N@@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001222360091 816418642 /nfs/dbraw/zinc/41/86/42/816418642.db2.gz GVJLOJWMKINPNS-KRWDZBQOSA-N 2 2 282.472 3.191 20 30 CGEDLP CCCCCCCCC[N@H+]1CCO[C@]2(CCC[NH2+]C2)C1 ZINC001222360091 816418646 /nfs/dbraw/zinc/41/86/46/816418646.db2.gz GVJLOJWMKINPNS-KRWDZBQOSA-N 2 2 282.472 3.191 20 30 CGEDLP CCCCCCC/C=C/C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235257458 819053344 /nfs/dbraw/zinc/05/33/44/819053344.db2.gz IFWSCHSVFHQQJL-USQNJUIBSA-N 2 2 250.430 3.197 20 30 CGEDLP CCCCCCC/C=C/C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235257458 819053351 /nfs/dbraw/zinc/05/33/51/819053351.db2.gz IFWSCHSVFHQQJL-USQNJUIBSA-N 2 2 250.430 3.197 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)C1 ZINC001308971042 933217252 /nfs/dbraw/zinc/21/72/52/933217252.db2.gz PREAZRVOLVKDKH-OAGGEKHMSA-N 2 2 252.446 3.297 20 30 CGEDLP C=C1CCC(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)CC1 ZINC001333101088 935510015 /nfs/dbraw/zinc/51/00/15/935510015.db2.gz RVHCAGFJGORDOT-UHFFFAOYSA-N 2 2 296.374 3.261 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(CCC)s2)CC1 ZINC000621334412 349499077 /nfs/dbraw/zinc/49/90/77/349499077.db2.gz DYJXNNHOQFIUTG-UHFFFAOYSA-N 2 2 278.465 3.441 20 30 CGEDLP C=CC(C)(C)CC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000623593125 349843253 /nfs/dbraw/zinc/84/32/53/349843253.db2.gz URBASKQHYQKUES-UHFFFAOYSA-N 2 2 257.381 3.335 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2nc(C)cs2)CC1 ZINC000623889789 349906403 /nfs/dbraw/zinc/90/64/03/349906403.db2.gz WCUNUAXIKZAUQB-CYBMUJFWSA-N 2 2 279.453 3.143 20 30 CGEDLP C[N@H+](CC1(CC#N)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000382024196 346559559 /nfs/dbraw/zinc/55/95/59/346559559.db2.gz ZGGAVSGJUXUCBR-UHFFFAOYSA-N 2 2 297.446 3.277 20 30 CGEDLP C[N@@H+](CC1(CC#N)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000382024196 346559562 /nfs/dbraw/zinc/55/95/62/346559562.db2.gz ZGGAVSGJUXUCBR-UHFFFAOYSA-N 2 2 297.446 3.277 20 30 CGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1C[C@H]1C ZINC000593691921 347103608 /nfs/dbraw/zinc/10/36/08/347103608.db2.gz VJRKURRFLYWSFA-VCBZYWHSSA-N 2 2 297.446 3.157 20 30 CGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594498434 347179122 /nfs/dbraw/zinc/17/91/22/347179122.db2.gz PTBWYZOWBOXPEC-RDTXWAMCSA-N 2 2 297.446 3.060 20 30 CGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594498434 347179125 /nfs/dbraw/zinc/17/91/25/347179125.db2.gz PTBWYZOWBOXPEC-RDTXWAMCSA-N 2 2 297.446 3.060 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000602510055 347973074 /nfs/dbraw/zinc/97/30/74/347973074.db2.gz QPLXWACPDCBKHQ-SJLPKXTDSA-N 2 2 285.435 3.353 20 30 CGEDLP CC(C)[C@@H](C[NH2+]C[C@H](C)CCC#N)[NH+]1CCCCCC1 ZINC000602513039 347973357 /nfs/dbraw/zinc/97/33/57/347973357.db2.gz YVSCWMIRKVUFAI-IAGOWNOFSA-N 2 2 279.472 3.416 20 30 CGEDLP N#CC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000602520833 347974976 /nfs/dbraw/zinc/97/49/76/347974976.db2.gz KAVFQZUNJHTDAD-UHFFFAOYSA-N 2 2 298.365 3.183 20 30 CGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602617892 347995276 /nfs/dbraw/zinc/99/52/76/347995276.db2.gz PKIUANMNLUNZIY-NHFHULPWSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602617892 347995277 /nfs/dbraw/zinc/99/52/77/347995277.db2.gz PKIUANMNLUNZIY-NHFHULPWSA-N 2 2 297.446 3.179 20 30 CGEDLP N#CC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602644645 347999874 /nfs/dbraw/zinc/99/98/74/347999874.db2.gz ZSOWPNNLRSLJRV-SJLPKXTDSA-N 2 2 295.430 3.248 20 30 CGEDLP N#CC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602644645 347999878 /nfs/dbraw/zinc/99/98/78/347999878.db2.gz ZSOWPNNLRSLJRV-SJLPKXTDSA-N 2 2 295.430 3.248 20 30 CGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC=CCC3)CC2)cc1 ZINC000181974812 189311157 /nfs/dbraw/zinc/31/11/57/189311157.db2.gz LOLOHHBNABPZDU-GOSISDBHSA-N 2 2 295.430 3.221 20 30 CGEDLP C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000091961221 370084541 /nfs/dbraw/zinc/08/45/41/370084541.db2.gz HGPOHGRJFQVARZ-CABCVRRESA-N 2 2 274.412 3.096 20 30 CGEDLP C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000091961221 370084549 /nfs/dbraw/zinc/08/45/49/370084549.db2.gz HGPOHGRJFQVARZ-CABCVRRESA-N 2 2 274.412 3.096 20 30 CGEDLP C=C(CC)C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449735912 373862466 /nfs/dbraw/zinc/86/24/66/373862466.db2.gz SKURZGZRJASEMG-NVXWUHKLSA-N 2 2 258.409 3.378 20 30 CGEDLP C=C(CC)C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449735912 373862474 /nfs/dbraw/zinc/86/24/74/373862474.db2.gz SKURZGZRJASEMG-NVXWUHKLSA-N 2 2 258.409 3.378 20 30 CGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C=CCCC3)CC2)cc1 ZINC000182012213 374203276 /nfs/dbraw/zinc/20/32/76/374203276.db2.gz NEHSMVFNJZXSGA-GOSISDBHSA-N 2 2 295.430 3.221 20 30 CGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185901139 374763367 /nfs/dbraw/zinc/76/33/67/374763367.db2.gz HJKJDSHHKGYEGV-LULLPPNCSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185901139 374763370 /nfs/dbraw/zinc/76/33/70/374763370.db2.gz HJKJDSHHKGYEGV-LULLPPNCSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000187663909 375065785 /nfs/dbraw/zinc/06/57/85/375065785.db2.gz OEIBBFACUZQRJI-CQSZACIVSA-N 2 2 280.375 3.153 20 30 CGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H](C)C1CC1)C(C)C ZINC000480754907 375161013 /nfs/dbraw/zinc/16/10/13/375161013.db2.gz FIXRINDCBAFESP-ZBFHGGJFSA-N 2 2 250.430 3.073 20 30 CGEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000336540798 375818821 /nfs/dbraw/zinc/81/88/21/375818821.db2.gz VCQAABDUTSXGRT-HNNXBMFYSA-N 2 2 291.826 3.128 20 30 CGEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000336540798 375818826 /nfs/dbraw/zinc/81/88/26/375818826.db2.gz VCQAABDUTSXGRT-HNNXBMFYSA-N 2 2 291.826 3.128 20 30 CGEDLP C=CCCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000556257530 376861917 /nfs/dbraw/zinc/86/19/17/376861917.db2.gz GSSULNZXRFIQQF-DLBZAZTESA-N 2 2 258.409 3.378 20 30 CGEDLP C=CCCCC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000556257530 376861924 /nfs/dbraw/zinc/86/19/24/376861924.db2.gz GSSULNZXRFIQQF-DLBZAZTESA-N 2 2 258.409 3.378 20 30 CGEDLP Cc1cc(C[NH2+]CC[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000443983160 249137475 /nfs/dbraw/zinc/13/74/75/249137475.db2.gz RCUHAOQWWKINKW-UHFFFAOYSA-N 2 2 293.414 3.088 20 30 CGEDLP Cc1cc(C[NH2+]CC[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000443983160 249137478 /nfs/dbraw/zinc/13/74/78/249137478.db2.gz RCUHAOQWWKINKW-UHFFFAOYSA-N 2 2 293.414 3.088 20 30 CGEDLP C=CC[C@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c(C)n1C ZINC000579733873 378190453 /nfs/dbraw/zinc/19/04/53/378190453.db2.gz IVOBFXQIWZKIBG-MRXNPFEDSA-N 2 2 269.392 3.006 20 30 CGEDLP C=C(C)C[NH+]1CCC(Nc2[nH]c3ccccc3[nH+]2)CC1 ZINC000270548637 378366781 /nfs/dbraw/zinc/36/67/81/378366781.db2.gz FKCMXEARQJUEGZ-UHFFFAOYSA-N 2 2 270.380 3.015 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000279132131 194297912 /nfs/dbraw/zinc/29/79/12/194297912.db2.gz MVQFSSMPLJYFHT-UHFFFAOYSA-N 2 2 293.480 3.181 20 30 CGEDLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(C#N)cc1F ZINC000358571161 533381102 /nfs/dbraw/zinc/38/11/02/533381102.db2.gz OKRGHRCAEGJTTQ-CQSZACIVSA-N 2 2 289.398 3.224 20 30 CGEDLP C=CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000647554381 392769260 /nfs/dbraw/zinc/76/92/60/392769260.db2.gz YFMCFQAQYZUELR-QGZVFWFLSA-N 2 2 286.419 3.016 20 30 CGEDLP CC[C@H](CC#N)[NH2+]Cc1ccccc1C[NH2+][C@H](CC)CC#N ZINC000519648832 392877411 /nfs/dbraw/zinc/87/74/11/392877411.db2.gz OSOVSOMCOCTAKZ-QZTJIDSGSA-N 2 2 298.434 3.250 20 30 CGEDLP C=CCOc1ccccc1C[N@H+](CC)CCC[NH+](C)C ZINC000349381953 393145783 /nfs/dbraw/zinc/14/57/83/393145783.db2.gz IXBUJUVUFNMTQN-UHFFFAOYSA-N 2 2 276.424 3.025 20 30 CGEDLP C=CCOc1ccccc1C[N@@H+](CC)CCC[NH+](C)C ZINC000349381953 393145786 /nfs/dbraw/zinc/14/57/86/393145786.db2.gz IXBUJUVUFNMTQN-UHFFFAOYSA-N 2 2 276.424 3.025 20 30 CGEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000360841001 393596984 /nfs/dbraw/zinc/59/69/84/393596984.db2.gz PWNDUCJUWSWSJK-GOSISDBHSA-N 2 2 294.402 3.202 20 30 CGEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000657898788 419424689 /nfs/dbraw/zinc/42/46/89/419424689.db2.gz QPGYEKHJXQSPGD-OAGGEKHMSA-N 2 2 282.497 3.148 20 30 CGEDLP N#CCCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000272898312 263009668 /nfs/dbraw/zinc/00/96/68/263009668.db2.gz PMIVXEBSFAYCKQ-UHFFFAOYSA-N 2 2 291.826 3.198 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]CCCCC#N)C[N@H+](Cc2ccccc2)C1 ZINC000274325155 263023120 /nfs/dbraw/zinc/02/31/20/263023120.db2.gz DOPRIMFVBLVJAE-SJLPKXTDSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]CCCCC#N)C[N@@H+](Cc2ccccc2)C1 ZINC000274325155 263023121 /nfs/dbraw/zinc/02/31/21/263023121.db2.gz DOPRIMFVBLVJAE-SJLPKXTDSA-N 2 2 285.435 3.180 20 30 CGEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CCCC#N)CC1 ZINC000280212168 263059823 /nfs/dbraw/zinc/05/98/23/263059823.db2.gz KFQYMCCIGPYQRC-UHFFFAOYSA-N 2 2 282.391 3.285 20 30 CGEDLP C=CC[C@@H](C)[C@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000341587352 263343659 /nfs/dbraw/zinc/34/36/59/263343659.db2.gz IPIUYJHSBPHKKQ-CABCVRRESA-N 2 2 282.472 3.066 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000341587358 263343775 /nfs/dbraw/zinc/34/37/75/263343775.db2.gz IPIUYJHSBPHKKQ-LSDHHAIUSA-N 2 2 282.472 3.066 20 30 CGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000343279882 264332627 /nfs/dbraw/zinc/33/26/27/264332627.db2.gz PMCKPQWSWXONMD-OAHLLOKOSA-N 2 2 294.402 3.113 20 30 CGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000343279882 264332628 /nfs/dbraw/zinc/33/26/28/264332628.db2.gz PMCKPQWSWXONMD-OAHLLOKOSA-N 2 2 294.402 3.113 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344164163 273485423 /nfs/dbraw/zinc/48/54/23/273485423.db2.gz IGJURKQASAAMQI-GOSISDBHSA-N 2 2 288.410 3.443 20 30 CGEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360818174 276175215 /nfs/dbraw/zinc/17/52/15/276175215.db2.gz FIKZJQMPCPHTRI-MJGOQNOKSA-N 2 2 297.446 3.400 20 30 CGEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360818174 276175216 /nfs/dbraw/zinc/17/52/16/276175216.db2.gz FIKZJQMPCPHTRI-MJGOQNOKSA-N 2 2 297.446 3.400 20 30 CGEDLP C=CCCC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000571508560 328129189 /nfs/dbraw/zinc/12/91/89/328129189.db2.gz IYWFPQIAVPEBJC-NVXWUHKLSA-N 2 2 258.409 3.378 20 30 CGEDLP C=CCCC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000571508560 328129191 /nfs/dbraw/zinc/12/91/91/328129191.db2.gz IYWFPQIAVPEBJC-NVXWUHKLSA-N 2 2 258.409 3.378 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000177904645 329190215 /nfs/dbraw/zinc/19/02/15/329190215.db2.gz AYEAWMYRCBBSJE-QGZVFWFLSA-N 2 2 274.383 3.053 20 30 CGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCCC#N)C1 ZINC000088701803 330378493 /nfs/dbraw/zinc/37/84/93/330378493.db2.gz ZHOGMAYJSMYYOB-WBVHZDCISA-N 2 2 271.408 3.105 20 30 CGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCCC#N)C1 ZINC000088701803 330378494 /nfs/dbraw/zinc/37/84/94/330378494.db2.gz ZHOGMAYJSMYYOB-WBVHZDCISA-N 2 2 271.408 3.105 20 30 CGEDLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1)[NH+](C)C ZINC000442880901 330790249 /nfs/dbraw/zinc/79/02/49/330790249.db2.gz ZPLGOWDNNNRTNP-LHHMISFZSA-N 2 2 285.435 3.268 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C2[C@H](C)CCC[C@H]2C)CC1 ZINC000177910217 333065617 /nfs/dbraw/zinc/06/56/17/333065617.db2.gz KCUTUNOXIDGNLU-ZIAGYGMSSA-N 2 2 250.430 3.051 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000091334249 334376495 /nfs/dbraw/zinc/37/64/95/334376495.db2.gz RQCFRNQOMUMAIN-GOSISDBHSA-N 2 2 270.420 3.378 20 30 CGEDLP C=CCCCC[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000578593633 335652115 /nfs/dbraw/zinc/65/21/15/335652115.db2.gz ZORLULXGZQCOLN-CQSZACIVSA-N 2 2 261.413 3.444 20 30 CGEDLP C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c(C)n1C ZINC000579733868 335877388 /nfs/dbraw/zinc/87/73/88/335877388.db2.gz IVOBFXQIWZKIBG-INIZCTEOSA-N 2 2 269.392 3.006 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000106245454 526602854 /nfs/dbraw/zinc/60/28/54/526602854.db2.gz ZWQXUTVYUDTWRZ-UHFFFAOYSA-N 2 2 280.362 3.095 20 30 CGEDLP C=CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000725795434 572405110 /nfs/dbraw/zinc/40/51/10/572405110.db2.gz QFDSCHYYQHXKBY-UHFFFAOYSA-N 2 2 255.365 3.269 20 30 CGEDLP C=CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)C ZINC000725795434 572405115 /nfs/dbraw/zinc/40/51/15/572405115.db2.gz QFDSCHYYQHXKBY-UHFFFAOYSA-N 2 2 255.365 3.269 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000106245192 619244048 /nfs/dbraw/zinc/24/40/48/619244048.db2.gz ACNNMZJBHOZCLP-UHFFFAOYSA-N 2 2 294.826 3.176 20 30 CGEDLP N#CC1CCC([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000895705677 619873228 /nfs/dbraw/zinc/87/32/28/619873228.db2.gz DXHZUSFFVOEURQ-VMWRSERWSA-N 2 2 294.402 3.296 20 30 CGEDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1cccc(C#N)c1 ZINC000902725161 621412921 /nfs/dbraw/zinc/41/29/21/621412921.db2.gz QUYIGLONMDLNDV-IRXDYDNUSA-N 2 2 271.408 3.083 20 30 CGEDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1cccc(C#N)c1 ZINC000902725161 621412929 /nfs/dbraw/zinc/41/29/29/621412929.db2.gz QUYIGLONMDLNDV-IRXDYDNUSA-N 2 2 271.408 3.083 20 30 CGEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(C#N)c1 ZINC000921576213 625688966 /nfs/dbraw/zinc/68/89/66/625688966.db2.gz DQWBHURWYQYUKF-AWEZNQCLSA-N 2 2 288.420 3.021 20 30 CGEDLP C#Cc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000809607956 630760810 /nfs/dbraw/zinc/76/08/10/630760810.db2.gz DLEBKHNUJFKEIM-QGZVFWFLSA-N 2 2 281.403 3.069 20 30 CGEDLP CCCCCCCC[C@@H](O)C[NH2+]CCOc1cc[nH+]cc1 ZINC001252141973 806025858 /nfs/dbraw/zinc/02/58/58/806025858.db2.gz RBHZAYDTIDDAKH-MRXNPFEDSA-N 2 2 294.439 3.162 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC001252979384 806145805 /nfs/dbraw/zinc/14/58/05/806145805.db2.gz BJAMXKZNVLIGME-QGZVFWFLSA-N 2 2 295.471 3.364 20 30 CGEDLP C[N@@H+]1CCC[C@@H]1CCNc1[nH+]ccc2ccc(C#N)cc21 ZINC001160964293 806331022 /nfs/dbraw/zinc/33/10/22/806331022.db2.gz LCOFZONXJCCZNO-OAHLLOKOSA-N 2 2 280.375 3.003 20 30 CGEDLP C[N@H+]1CCC[C@@H]1CCNc1[nH+]ccc2ccc(C#N)cc21 ZINC001160964293 806331032 /nfs/dbraw/zinc/33/10/32/806331032.db2.gz LCOFZONXJCCZNO-OAHLLOKOSA-N 2 2 280.375 3.003 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001255163132 806561389 /nfs/dbraw/zinc/56/13/89/806561389.db2.gz CFIUBCXYLWBALL-NZSAHSFTSA-N 2 2 299.462 3.426 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001255163132 806561390 /nfs/dbraw/zinc/56/13/90/806561390.db2.gz CFIUBCXYLWBALL-NZSAHSFTSA-N 2 2 299.462 3.426 20 30 CGEDLP CCCCCCCC[C@@H](O)C[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001245976479 804091474 /nfs/dbraw/zinc/09/14/74/804091474.db2.gz TZCWERYOHJVHQH-MSOLQXFVSA-N 2 2 292.467 3.388 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001245976482 804091794 /nfs/dbraw/zinc/09/17/94/804091794.db2.gz TZCWERYOHJVHQH-ZWKOTPCHSA-N 2 2 292.467 3.388 20 30 CGEDLP CCCCCCCCC[C@@H](C)[NH2+][C@H]1CCOC12C[NH2+]C2 ZINC001246123793 804152677 /nfs/dbraw/zinc/15/26/77/804152677.db2.gz FBPSGSOGJGDGQH-CVEARBPZSA-N 2 2 282.472 3.236 20 30 CGEDLP CCCCCCC[C@@H](CCC)[NH2+][C@H]1CCOC12C[NH2+]C2 ZINC001246125856 804154845 /nfs/dbraw/zinc/15/48/45/804154845.db2.gz KBJZKOQCJQANEG-CVEARBPZSA-N 2 2 282.472 3.236 20 30 CGEDLP CCCCCCC[C@@H](CC)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246337561 804291725 /nfs/dbraw/zinc/29/17/25/804291725.db2.gz UCOAZVOJYJRNCL-HUUCEWRRSA-N 2 2 272.502 3.420 20 30 CGEDLP CCC[N@H+](CCC#N)Cc1ccccc1-n1cc[nH+]c1C ZINC001140028145 804354746 /nfs/dbraw/zinc/35/47/46/804354746.db2.gz MSBKMNDXBFMPLZ-UHFFFAOYSA-N 2 2 282.391 3.306 20 30 CGEDLP CCC[N@@H+](CCC#N)Cc1ccccc1-n1cc[nH+]c1C ZINC001140028145 804354753 /nfs/dbraw/zinc/35/47/53/804354753.db2.gz MSBKMNDXBFMPLZ-UHFFFAOYSA-N 2 2 282.391 3.306 20 30 CGEDLP N#Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167964385 807288710 /nfs/dbraw/zinc/28/87/10/807288710.db2.gz QGRVVYXMLGMVJE-YQQQUEKLSA-N 2 2 295.430 3.053 20 30 CGEDLP N#Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964385 807288716 /nfs/dbraw/zinc/28/87/16/807288716.db2.gz QGRVVYXMLGMVJE-YQQQUEKLSA-N 2 2 295.430 3.053 20 30 CGEDLP C=CC[NH+]([C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)(C)C ZINC001172131282 808188039 /nfs/dbraw/zinc/18/80/39/808188039.db2.gz VTOLQEBZUUPTNE-FICVDOATSA-N 2 2 250.430 3.288 20 30 CGEDLP C=CC[NH+]([C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC001172131282 808188045 /nfs/dbraw/zinc/18/80/45/808188045.db2.gz VTOLQEBZUUPTNE-FICVDOATSA-N 2 2 250.430 3.288 20 30 CGEDLP C=CC[N@@H+]([C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC001172131282 808188049 /nfs/dbraw/zinc/18/80/49/808188049.db2.gz VTOLQEBZUUPTNE-FICVDOATSA-N 2 2 250.430 3.288 20 30 CGEDLP C=CC[N@H+]([C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC001172131282 808188051 /nfs/dbraw/zinc/18/80/51/808188051.db2.gz VTOLQEBZUUPTNE-FICVDOATSA-N 2 2 250.430 3.288 20 30 CGEDLP CC[NH+](CC)C1CCC([NH2+][C@@H](C#N)CC(C)C)CC1 ZINC001173107944 808512577 /nfs/dbraw/zinc/51/25/77/808512577.db2.gz UHXMNFHSOVGOFE-HWOWSKLDSA-N 2 2 265.445 3.167 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(F)cc3cccnc32)CC1 ZINC001200127228 811641086 /nfs/dbraw/zinc/64/10/86/811641086.db2.gz PJHVBDCMKOCWHH-UHFFFAOYSA-N 2 2 299.393 3.114 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC001202298646 812057527 /nfs/dbraw/zinc/05/75/27/812057527.db2.gz DAPMCVRIKGRYSQ-INMHGKMJSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC001202298646 812057535 /nfs/dbraw/zinc/05/75/35/812057535.db2.gz DAPMCVRIKGRYSQ-INMHGKMJSA-N 2 2 262.441 3.338 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)CC1 ZINC001208178307 813729491 /nfs/dbraw/zinc/72/94/91/813729491.db2.gz PXPZCBCDEADLRH-KURKYZTESA-N 2 2 274.452 3.315 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)CC1 ZINC001208178307 813729492 /nfs/dbraw/zinc/72/94/92/813729492.db2.gz PXPZCBCDEADLRH-KURKYZTESA-N 2 2 274.452 3.315 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)CC1 ZINC001208178307 813729494 /nfs/dbraw/zinc/72/94/94/813729494.db2.gz PXPZCBCDEADLRH-KURKYZTESA-N 2 2 274.452 3.315 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)CC1 ZINC001208178307 813729496 /nfs/dbraw/zinc/72/94/96/813729496.db2.gz PXPZCBCDEADLRH-KURKYZTESA-N 2 2 274.452 3.315 20 30 CGEDLP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001218454870 816221699 /nfs/dbraw/zinc/22/16/99/816221699.db2.gz DUGQJOMWASTTNH-HZPDHXFCSA-N 2 2 283.375 3.152 20 30 CGEDLP CCCCCCC/C=C/C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001235006036 818977112 /nfs/dbraw/zinc/97/71/12/818977112.db2.gz CXMWBBIBRGWILW-CMDGGOBGSA-N 2 2 250.430 3.326 20 30 CGEDLP CCCCCCC/C=C/C[N@H+]1CC2CC1(C[NH3+])C2 ZINC001235006036 818977117 /nfs/dbraw/zinc/97/71/17/818977117.db2.gz CXMWBBIBRGWILW-CMDGGOBGSA-N 2 2 250.430 3.326 20 30 CGEDLP CCCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235910579 819219584 /nfs/dbraw/zinc/21/95/84/819219584.db2.gz UQWARJGPANAKRE-LSDHHAIUSA-N 2 2 258.425 3.498 20 30 CGEDLP CCCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235910579 819219589 /nfs/dbraw/zinc/21/95/89/819219589.db2.gz UQWARJGPANAKRE-LSDHHAIUSA-N 2 2 258.425 3.498 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OCCC)cc2)CC1 ZINC001560313672 937211971 /nfs/dbraw/zinc/21/19/71/937211971.db2.gz MIUWVKLPVQFGKP-UHFFFAOYSA-N 2 2 288.435 3.215 20 30 CGEDLP C=C(C)C[NH+]1CCC(Nc2ccc(CC)c[nH+]2)CC1 ZINC001337027639 936232993 /nfs/dbraw/zinc/23/29/93/936232993.db2.gz WLJWSLXTTAUBEF-UHFFFAOYSA-N 2 2 259.397 3.096 20 30 CGEDLP C=CCOCC[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473897266 937828364 /nfs/dbraw/zinc/82/83/64/937828364.db2.gz JBPABKJHQPNKMG-HNNXBMFYSA-N 2 2 291.439 3.020 20 30 CGEDLP C=CCOCC[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473897266 937828366 /nfs/dbraw/zinc/82/83/66/937828366.db2.gz JBPABKJHQPNKMG-HNNXBMFYSA-N 2 2 291.439 3.020 20 30 CGEDLP C=CC[NH+](CC=C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000096969269 185143078 /nfs/dbraw/zinc/14/30/78/185143078.db2.gz COQUVQAUECVQPO-UHFFFAOYSA-N 2 2 253.349 3.046 20 30 CGEDLP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1F)[NH+]1CCCCC1 ZINC000273159228 192061381 /nfs/dbraw/zinc/06/13/81/192061381.db2.gz SYNFOOLBZSTDRX-AWEZNQCLSA-N 2 2 289.398 3.051 20 30 CGEDLP C=CCOc1ccccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000044353308 345009550 /nfs/dbraw/zinc/00/95/50/345009550.db2.gz CRYMWOWUVHPVAO-UHFFFAOYSA-N 2 2 285.391 3.018 20 30 CGEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000595094100 347282171 /nfs/dbraw/zinc/28/21/71/347282171.db2.gz CMEJBWRLTQJXRJ-HKUYNNGSSA-N 2 2 297.446 3.400 20 30 CGEDLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000595094100 347282175 /nfs/dbraw/zinc/28/21/75/347282175.db2.gz CMEJBWRLTQJXRJ-HKUYNNGSSA-N 2 2 297.446 3.400 20 30 CGEDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC)c2ccc(C#N)cc2)C1 ZINC000595096871 347282488 /nfs/dbraw/zinc/28/24/88/347282488.db2.gz NGIWGTWBUCLVOA-IAGOWNOFSA-N 2 2 271.408 3.083 20 30 CGEDLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)c2ccc(C#N)cc2)C1 ZINC000595096871 347282490 /nfs/dbraw/zinc/28/24/90/347282490.db2.gz NGIWGTWBUCLVOA-IAGOWNOFSA-N 2 2 271.408 3.083 20 30 CGEDLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000595890089 347370648 /nfs/dbraw/zinc/37/06/48/347370648.db2.gz BIESHQFSVQYEDC-ZDUSSCGKSA-N 2 2 299.340 3.040 20 30 CGEDLP CC(C)(C)C[N@H+](CCC#N)Cc1ccnn1-c1cc[nH+]cc1 ZINC000596994535 347525358 /nfs/dbraw/zinc/52/53/58/347525358.db2.gz CJCQBEDGVVEYHN-UHFFFAOYSA-N 2 2 297.406 3.029 20 30 CGEDLP CC(C)(C)C[N@@H+](CCC#N)Cc1ccnn1-c1cc[nH+]cc1 ZINC000596994535 347525361 /nfs/dbraw/zinc/52/53/61/347525361.db2.gz CJCQBEDGVVEYHN-UHFFFAOYSA-N 2 2 297.406 3.029 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392425 348445243 /nfs/dbraw/zinc/44/52/43/348445243.db2.gz VGEPOLCZYUYRFK-LJQANCHMSA-N 2 2 295.430 3.176 20 30 CGEDLP C=CCC[C@@H](CC)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188927 349996182 /nfs/dbraw/zinc/99/61/82/349996182.db2.gz MGCFYVOUXXIIBM-GDBMZVCRSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@@H](CC)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188927 349996183 /nfs/dbraw/zinc/99/61/83/349996183.db2.gz MGCFYVOUXXIIBM-GDBMZVCRSA-N 2 2 250.430 3.338 20 30 CGEDLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000612585263 348530456 /nfs/dbraw/zinc/53/04/56/348530456.db2.gz UDCLFURVVFYYMI-GOEBONIOSA-N 2 2 277.456 3.169 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccccc2)CC1 ZINC000177906363 189078267 /nfs/dbraw/zinc/07/82/67/189078267.db2.gz LMOKIKRCHDUWPD-QGZVFWFLSA-N 2 2 258.409 3.378 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000177911989 189079318 /nfs/dbraw/zinc/07/93/18/189079318.db2.gz LMRAKWJLUOWMEZ-SFHVURJKSA-N 2 2 270.420 3.304 20 30 CGEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2Cl)CC[N@@H+]1C ZINC000335677967 212398151 /nfs/dbraw/zinc/39/81/51/212398151.db2.gz WYHGDTJNFQOGTP-WFASDCNBSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2Cl)CC[N@H+]1C ZINC000335677967 212398153 /nfs/dbraw/zinc/39/81/53/212398153.db2.gz WYHGDTJNFQOGTP-WFASDCNBSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2Cl)CC[NH+]1C ZINC000335677967 212398157 /nfs/dbraw/zinc/39/81/57/212398157.db2.gz WYHGDTJNFQOGTP-WFASDCNBSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2Cl)CC[NH+]1C ZINC000335677967 212398158 /nfs/dbraw/zinc/39/81/58/212398158.db2.gz WYHGDTJNFQOGTP-WFASDCNBSA-N 2 2 291.826 3.126 20 30 CGEDLP N#Cc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000067250171 369714685 /nfs/dbraw/zinc/71/46/85/369714685.db2.gz IBUBHWOLBVQRKP-UHFFFAOYSA-N 2 2 288.354 3.034 20 30 CGEDLP C=C(C)C[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072950134 369846494 /nfs/dbraw/zinc/84/64/94/369846494.db2.gz GCMDFEVLEZKKQN-UHFFFAOYSA-N 2 2 255.365 3.270 20 30 CGEDLP C=C(C)C[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000072950134 369846500 /nfs/dbraw/zinc/84/65/00/369846500.db2.gz GCMDFEVLEZKKQN-UHFFFAOYSA-N 2 2 255.365 3.270 20 30 CGEDLP CC1(C)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000287085207 371600869 /nfs/dbraw/zinc/60/08/69/371600869.db2.gz OZQASHQEBLQSNW-GOSISDBHSA-N 2 2 297.446 3.301 20 30 CGEDLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442656270 373061623 /nfs/dbraw/zinc/06/16/23/373061623.db2.gz WEULDPBGVXZEHO-BPQIPLTHSA-N 2 2 285.435 3.351 20 30 CGEDLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442784294 373079908 /nfs/dbraw/zinc/07/99/08/373079908.db2.gz RWWHJYRVPYIHDO-ZOBUZTSGSA-N 2 2 285.435 3.398 20 30 CGEDLP CC(C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000442782560 373080624 /nfs/dbraw/zinc/08/06/24/373080624.db2.gz OKPIEGSVYODETO-QAPCUYQASA-N 2 2 297.446 3.105 20 30 CGEDLP CC(C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000442782560 373080630 /nfs/dbraw/zinc/08/06/30/373080630.db2.gz OKPIEGSVYODETO-QAPCUYQASA-N 2 2 297.446 3.105 20 30 CGEDLP C=CC[C@@H]1[N@@H+](CCCn2cc[nH+]c2)CCCC1(C)C ZINC000444785845 373274428 /nfs/dbraw/zinc/27/44/28/373274428.db2.gz ZRMAJCVFWZIPNA-HNNXBMFYSA-N 2 2 261.413 3.340 20 30 CGEDLP C=CC[C@@H]1[N@H+](CCCn2cc[nH+]c2)CCCC1(C)C ZINC000444785845 373274438 /nfs/dbraw/zinc/27/44/38/373274438.db2.gz ZRMAJCVFWZIPNA-HNNXBMFYSA-N 2 2 261.413 3.340 20 30 CGEDLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449085106 373660722 /nfs/dbraw/zinc/66/07/22/373660722.db2.gz KIYICRRZJCZYDB-JLAWEPINSA-N 2 2 299.462 3.221 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000185383614 374652675 /nfs/dbraw/zinc/65/26/75/374652675.db2.gz NVYHDERLBXFMDB-CQSZACIVSA-N 2 2 274.408 3.002 20 30 CGEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)cc2C#N)CC[N@@H+]1C ZINC000187119768 374975754 /nfs/dbraw/zinc/97/57/54/374975754.db2.gz RZWJWYMQUMMCNY-MLGOLLRUSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Cl)cc2C#N)CC[N@H+]1C ZINC000187119768 374975758 /nfs/dbraw/zinc/97/57/58/374975758.db2.gz RZWJWYMQUMMCNY-MLGOLLRUSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Cl)cc2C#N)CC[NH+]1C ZINC000187119768 374975763 /nfs/dbraw/zinc/97/57/63/374975763.db2.gz RZWJWYMQUMMCNY-MLGOLLRUSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)CC[NH+]1C ZINC000187119768 374975768 /nfs/dbraw/zinc/97/57/68/374975768.db2.gz RZWJWYMQUMMCNY-MLGOLLRUSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)cc2C#N)CC[N@@H+]1C ZINC000187119799 374975817 /nfs/dbraw/zinc/97/58/17/374975817.db2.gz RZWJWYMQUMMCNY-WBMJQRKESA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)cc2C#N)CC[N@H+]1C ZINC000187119799 374975822 /nfs/dbraw/zinc/97/58/22/374975822.db2.gz RZWJWYMQUMMCNY-WBMJQRKESA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)cc2C#N)CC[NH+]1C ZINC000187119799 374975824 /nfs/dbraw/zinc/97/58/24/374975824.db2.gz RZWJWYMQUMMCNY-WBMJQRKESA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)CC[NH+]1C ZINC000187119799 374975829 /nfs/dbraw/zinc/97/58/29/374975829.db2.gz RZWJWYMQUMMCNY-WBMJQRKESA-N 2 2 291.826 3.126 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000187178168 374984158 /nfs/dbraw/zinc/98/41/58/374984158.db2.gz LQVBVSYTYXKPGG-IBGZPJMESA-N 2 2 286.463 3.494 20 30 CGEDLP C=C(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000187779336 375093187 /nfs/dbraw/zinc/09/31/87/375093187.db2.gz HTGRPHDVXVQKCW-MRXNPFEDSA-N 2 2 291.345 3.458 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000187589385 375050420 /nfs/dbraw/zinc/05/04/20/375050420.db2.gz OFXCVRMARMRWQL-OAHLLOKOSA-N 2 2 283.419 3.179 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191273214 375604666 /nfs/dbraw/zinc/60/46/66/375604666.db2.gz RWVHFMMXVGYTSP-CQSZACIVSA-N 2 2 290.455 3.073 20 30 CGEDLP C=C(C)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192167491 375705982 /nfs/dbraw/zinc/70/59/82/375705982.db2.gz FLFLOZIPEKPRFL-UHFFFAOYSA-N 2 2 255.365 3.189 20 30 CGEDLP C=C(C)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000192167491 375705988 /nfs/dbraw/zinc/70/59/88/375705988.db2.gz FLFLOZIPEKPRFL-UHFFFAOYSA-N 2 2 255.365 3.189 20 30 CGEDLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000338292684 376320945 /nfs/dbraw/zinc/32/09/45/376320945.db2.gz UZPUGIXRAKMIQX-CYBMUJFWSA-N 2 2 277.387 3.080 20 30 CGEDLP Cc1ccc(CCC[NH2+]CCc2cccc(C#N)c2)c[nH+]1 ZINC000343640912 378050419 /nfs/dbraw/zinc/05/04/19/378050419.db2.gz QDDBDOUJCDASJW-UHFFFAOYSA-N 2 2 279.387 3.027 20 30 CGEDLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(C)(C)C#N ZINC000272025062 378548494 /nfs/dbraw/zinc/54/84/94/378548494.db2.gz NRQBYRJEHBHBMN-UHFFFAOYSA-N 2 2 287.451 3.426 20 30 CGEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(C)(C)C#N ZINC000272025062 378548506 /nfs/dbraw/zinc/54/85/06/378548506.db2.gz NRQBYRJEHBHBMN-UHFFFAOYSA-N 2 2 287.451 3.426 20 30 CGEDLP C=CCOc1ccc(C[N@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC000346817986 378690546 /nfs/dbraw/zinc/69/05/46/378690546.db2.gz BZNSKFMAHJHFRD-UHFFFAOYSA-N 2 2 296.414 3.212 20 30 CGEDLP C=CCOc1ccc(C[N@@H+](CC[NH3+])Cc2ccccc2)cc1 ZINC000346817986 378690553 /nfs/dbraw/zinc/69/05/53/378690553.db2.gz BZNSKFMAHJHFRD-UHFFFAOYSA-N 2 2 296.414 3.212 20 30 CGEDLP C=C(Cl)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272919095 378722384 /nfs/dbraw/zinc/72/23/84/378722384.db2.gz RKHXXWOMAUKAGR-ZBFHGGJFSA-N 2 2 278.827 3.382 20 30 CGEDLP C=C(Cl)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272919095 378722387 /nfs/dbraw/zinc/72/23/87/378722387.db2.gz RKHXXWOMAUKAGR-ZBFHGGJFSA-N 2 2 278.827 3.382 20 30 CGEDLP C=C(Cl)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278768061 194147847 /nfs/dbraw/zinc/14/78/47/194147847.db2.gz CDWYUPHESOMOET-UHFFFAOYSA-N 2 2 279.815 3.151 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000358288550 381300075 /nfs/dbraw/zinc/30/00/75/381300075.db2.gz DOUXYMQHYPTYKR-UXLLHSPISA-N 2 2 277.456 3.311 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000361859828 381874056 /nfs/dbraw/zinc/87/40/56/381874056.db2.gz IGKTURPPIUTFNM-AWEZNQCLSA-N 2 2 294.402 3.305 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000361859828 381874060 /nfs/dbraw/zinc/87/40/60/381874060.db2.gz IGKTURPPIUTFNM-AWEZNQCLSA-N 2 2 294.402 3.305 20 30 CGEDLP N#Cc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1F ZINC000421322956 397701967 /nfs/dbraw/zinc/70/19/67/397701967.db2.gz HLJIPFCJZDDUCS-UHFFFAOYSA-N 2 2 298.365 3.074 20 30 CGEDLP C=C[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806768 543466868 /nfs/dbraw/zinc/46/68/68/543466868.db2.gz NFOCSBWGIOLNEK-HOCLYGCPSA-N 2 2 258.409 3.204 20 30 CGEDLP C=C[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806768 543466869 /nfs/dbraw/zinc/46/68/69/543466869.db2.gz NFOCSBWGIOLNEK-HOCLYGCPSA-N 2 2 258.409 3.204 20 30 CGEDLP C=CCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254746 419094354 /nfs/dbraw/zinc/09/43/54/419094354.db2.gz YRFKIAOWEDRUHW-KBRIMQKVSA-N 2 2 276.399 3.216 20 30 CGEDLP C=CCCC(C)(C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000657805094 419360688 /nfs/dbraw/zinc/36/06/88/419360688.db2.gz JUSNFMSJTCYJFV-UHFFFAOYSA-N 2 2 257.381 3.477 20 30 CGEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000657898787 419422952 /nfs/dbraw/zinc/42/29/52/419422952.db2.gz QPGYEKHJXQSPGD-BZUAXINKSA-N 2 2 282.497 3.148 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccsc2)CC1 ZINC000297682973 260132235 /nfs/dbraw/zinc/13/22/35/260132235.db2.gz LQBQTVVLIVULLM-HNNXBMFYSA-N 2 2 264.438 3.439 20 30 CGEDLP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H]([NH3+])CC(C)C ZINC000414691506 263032862 /nfs/dbraw/zinc/03/28/62/263032862.db2.gz OUCUJWBAYWYIIS-INIZCTEOSA-N 2 2 276.424 3.057 20 30 CGEDLP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]([NH3+])CC(C)C ZINC000414691506 263032863 /nfs/dbraw/zinc/03/28/63/263032863.db2.gz OUCUJWBAYWYIIS-INIZCTEOSA-N 2 2 276.424 3.057 20 30 CGEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1Cl ZINC000415072051 263262846 /nfs/dbraw/zinc/26/28/46/263262846.db2.gz VFANCDWTETVQEO-CQSZACIVSA-N 2 2 294.826 3.137 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H](C)C1CCOCC1)C(C)C ZINC000152074577 328056539 /nfs/dbraw/zinc/05/65/39/328056539.db2.gz NKSYUZXPTOQOPM-FUHWJXTLSA-N 2 2 294.483 3.090 20 30 CGEDLP C[C@@H](C#N)C[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411232918 328080472 /nfs/dbraw/zinc/08/04/72/328080472.db2.gz ZRUVKOQRBVUBMX-INIZCTEOSA-N 2 2 285.435 3.264 20 30 CGEDLP C[C@@H](C#N)C[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411232918 328080473 /nfs/dbraw/zinc/08/04/73/328080473.db2.gz ZRUVKOQRBVUBMX-INIZCTEOSA-N 2 2 285.435 3.264 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H](C)[C@H]1CCCOC1)C(C)C ZINC000507518382 332811687 /nfs/dbraw/zinc/81/16/87/332811687.db2.gz CVHDHKQDAOEFHX-OKZBNKHCSA-N 2 2 294.483 3.090 20 30 CGEDLP C=CC(C)(C)C[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423148966 330172889 /nfs/dbraw/zinc/17/28/89/330172889.db2.gz HAWCWWVALJUZJQ-IAGOWNOFSA-N 2 2 288.435 3.290 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1CC ZINC000423500200 330208096 /nfs/dbraw/zinc/20/80/96/330208096.db2.gz KEMKEYCPKCSMRR-GRDNDAEWSA-N 2 2 260.425 3.439 20 30 CGEDLP C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000453312138 331115045 /nfs/dbraw/zinc/11/50/45/331115045.db2.gz UQHKRFIWFDTBEN-NVXWUHKLSA-N 2 2 287.451 3.094 20 30 CGEDLP C=CC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000453312138 331115046 /nfs/dbraw/zinc/11/50/46/331115046.db2.gz UQHKRFIWFDTBEN-NVXWUHKLSA-N 2 2 287.451 3.094 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2sccc2OC)CC1 ZINC000186156378 333155769 /nfs/dbraw/zinc/15/57/69/333155769.db2.gz NXPBKHXNSMLXHA-CYBMUJFWSA-N 2 2 294.464 3.448 20 30 CGEDLP C=CCCCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347112717 527134770 /nfs/dbraw/zinc/13/47/70/527134770.db2.gz ZZTVXRYSDINGOD-MRXNPFEDSA-N 2 2 260.381 3.281 20 30 CGEDLP C=CCCCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347112717 527134773 /nfs/dbraw/zinc/13/47/73/527134773.db2.gz ZZTVXRYSDINGOD-MRXNPFEDSA-N 2 2 260.381 3.281 20 30 CGEDLP C=CCCC[N@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000344587149 527197176 /nfs/dbraw/zinc/19/71/76/527197176.db2.gz RZYQJXQCQARQIN-JYJNAYRXSA-N 2 2 250.430 3.290 20 30 CGEDLP C=CCCC[N@@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000344587149 527197181 /nfs/dbraw/zinc/19/71/81/527197181.db2.gz RZYQJXQCQARQIN-JYJNAYRXSA-N 2 2 250.430 3.290 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3cccc(C)c32)CC1 ZINC000924984584 619476469 /nfs/dbraw/zinc/47/64/69/619476469.db2.gz VVZMVCHIWGYEKS-QGZVFWFLSA-N 2 2 270.420 3.222 20 30 CGEDLP C=CC[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccncc1 ZINC000925073371 619546866 /nfs/dbraw/zinc/54/68/66/619546866.db2.gz BOKXKUAZGYDYOB-OKZBNKHCSA-N 2 2 285.435 3.305 20 30 CGEDLP C=CC[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccncc1 ZINC000925073371 619546869 /nfs/dbraw/zinc/54/68/69/619546869.db2.gz BOKXKUAZGYDYOB-OKZBNKHCSA-N 2 2 285.435 3.305 20 30 CGEDLP CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(C#N)cc1 ZINC000902434872 621317182 /nfs/dbraw/zinc/31/71/82/621317182.db2.gz PJQNSSWHVVEARB-GUDVDZBRSA-N 2 2 291.398 3.224 20 30 CGEDLP C=CCC[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@]1(C)CCCCO1 ZINC000902721071 621409663 /nfs/dbraw/zinc/40/96/63/621409663.db2.gz TWJFKQVXZSHELR-SJORKVTESA-N 2 2 291.439 3.157 20 30 CGEDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1cccc(C#N)c1 ZINC000902725159 621412879 /nfs/dbraw/zinc/41/28/79/621412879.db2.gz QUYIGLONMDLNDV-DLBZAZTESA-N 2 2 271.408 3.083 20 30 CGEDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1cccc(C#N)c1 ZINC000902725159 621412885 /nfs/dbraw/zinc/41/28/85/621412885.db2.gz QUYIGLONMDLNDV-DLBZAZTESA-N 2 2 271.408 3.083 20 30 CGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000863547265 629603243 /nfs/dbraw/zinc/60/32/43/629603243.db2.gz RBOIKCISEUTTKC-HEHGZKQESA-N 2 2 294.826 3.219 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865453522 630131551 /nfs/dbraw/zinc/13/15/51/630131551.db2.gz FZRIKJRYAYNFCT-UHFFFAOYSA-N 2 2 297.805 3.004 20 30 CGEDLP C=CCC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000826915598 633443886 /nfs/dbraw/zinc/44/38/86/633443886.db2.gz PPDVRBMTCNSDBF-WBVHZDCISA-N 2 2 258.409 3.063 20 30 CGEDLP C=CCC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000826915598 633443889 /nfs/dbraw/zinc/44/38/89/633443889.db2.gz PPDVRBMTCNSDBF-WBVHZDCISA-N 2 2 258.409 3.063 20 30 CGEDLP C=CC[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000878397923 635487638 /nfs/dbraw/zinc/48/76/38/635487638.db2.gz SXFKQOBNNSOOAK-UONOGXRCSA-N 2 2 255.365 3.488 20 30 CGEDLP N#CC1(CCCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCC1 ZINC000929804816 638952972 /nfs/dbraw/zinc/95/29/72/638952972.db2.gz ZBIODVHHUAAPRY-UHFFFAOYSA-N 2 2 286.423 3.453 20 30 CGEDLP Cc1[nH]c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)[nH+]1 ZINC000930156919 638978036 /nfs/dbraw/zinc/97/80/36/638978036.db2.gz ACKNBGLVOMFGMK-UHFFFAOYSA-N 2 2 292.386 3.188 20 30 CGEDLP Cc1[nH]c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)[nH+]1 ZINC000930156919 638978038 /nfs/dbraw/zinc/97/80/38/638978038.db2.gz ACKNBGLVOMFGMK-UHFFFAOYSA-N 2 2 292.386 3.188 20 30 CGEDLP CC[C@@H](CC#N)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255130212 806550410 /nfs/dbraw/zinc/55/04/10/806550410.db2.gz RZNDTNBTNLKFRV-CADBVGFASA-N 2 2 297.446 3.464 20 30 CGEDLP CC[C@@H](CC#N)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130212 806550414 /nfs/dbraw/zinc/55/04/14/806550414.db2.gz RZNDTNBTNLKFRV-CADBVGFASA-N 2 2 297.446 3.464 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001255164494 806562625 /nfs/dbraw/zinc/56/26/25/806562625.db2.gz KUBWQNMGWLEONE-JKSUJKDBSA-N 2 2 275.440 3.089 20 30 CGEDLP CCCCCCCCCCCC[N@@H+]1CC[NH2+]C[C@H](O)C1 ZINC000312418740 799227712 /nfs/dbraw/zinc/22/77/12/799227712.db2.gz KDJHFEQTFBYBMR-KRWDZBQOSA-N 2 2 284.488 3.173 20 30 CGEDLP CCCCCCCCCCCC[N@H+]1CC[NH2+]C[C@H](O)C1 ZINC000312418740 799227716 /nfs/dbraw/zinc/22/77/16/799227716.db2.gz KDJHFEQTFBYBMR-KRWDZBQOSA-N 2 2 284.488 3.173 20 30 CGEDLP Cc1c(C#N)cccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244818059 803535850 /nfs/dbraw/zinc/53/58/50/803535850.db2.gz NZBZDEUFFQHTAO-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1c(C#N)cccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244818059 803535852 /nfs/dbraw/zinc/53/58/52/803535852.db2.gz NZBZDEUFFQHTAO-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246032916 804102046 /nfs/dbraw/zinc/10/20/46/804102046.db2.gz MVEDLOSTMAIJHQ-QZTJIDSGSA-N 2 2 294.483 3.092 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246032916 804102048 /nfs/dbraw/zinc/10/20/48/804102048.db2.gz MVEDLOSTMAIJHQ-QZTJIDSGSA-N 2 2 294.483 3.092 20 30 CGEDLP CCCCCCC[C@@H](CC(C)C)[NH2+][C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001246152200 804171225 /nfs/dbraw/zinc/17/12/25/804171225.db2.gz LHSLUTMJRWNRAI-MHORFTMASA-N 2 2 296.499 3.481 20 30 CGEDLP CCCCCCC[C@@H](CC)[N@@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001246629296 804460364 /nfs/dbraw/zinc/46/03/64/804460364.db2.gz HZIAIHXVWFTDNX-IKGGRYGDSA-N 2 2 282.472 3.188 20 30 CGEDLP CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001246629296 804460369 /nfs/dbraw/zinc/46/03/69/804460369.db2.gz HZIAIHXVWFTDNX-IKGGRYGDSA-N 2 2 282.472 3.188 20 30 CGEDLP C=CCC[C@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001258734250 807580314 /nfs/dbraw/zinc/58/03/14/807580314.db2.gz VPVMIBFSXNBQHE-HNNXBMFYSA-N 2 2 273.424 3.303 20 30 CGEDLP Cc1ccc(N([C@H](C)CCCC#N)C2CC[NH2+]CC2)[nH+]c1 ZINC001172509670 808366853 /nfs/dbraw/zinc/36/68/53/808366853.db2.gz NOXIIMLVCHGTQE-OAHLLOKOSA-N 2 2 286.423 3.031 20 30 CGEDLP C=CCCC[N@@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001274964366 808894731 /nfs/dbraw/zinc/89/47/31/808894731.db2.gz KVVFKKZPHYVKRW-SFHVURJKSA-N 2 2 292.467 3.062 20 30 CGEDLP C=CCCC[N@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001274964366 808894740 /nfs/dbraw/zinc/89/47/40/808894740.db2.gz KVVFKKZPHYVKRW-SFHVURJKSA-N 2 2 292.467 3.062 20 30 CGEDLP C=CCCC[NH+]1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001274964366 808894747 /nfs/dbraw/zinc/89/47/47/808894747.db2.gz KVVFKKZPHYVKRW-SFHVURJKSA-N 2 2 292.467 3.062 20 30 CGEDLP C=CCCC[NH+]1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001274964366 808894754 /nfs/dbraw/zinc/89/47/54/808894754.db2.gz KVVFKKZPHYVKRW-SFHVURJKSA-N 2 2 292.467 3.062 20 30 CGEDLP C=C(CC)C[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001182356644 810107796 /nfs/dbraw/zinc/10/77/96/810107796.db2.gz MOTWIDMLIZKYCO-WMZOPIPTSA-N 2 2 272.436 3.453 20 30 CGEDLP C=C(CC)C[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001182356644 810107800 /nfs/dbraw/zinc/10/78/00/810107800.db2.gz MOTWIDMLIZKYCO-WMZOPIPTSA-N 2 2 272.436 3.453 20 30 CGEDLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001206573759 813358667 /nfs/dbraw/zinc/35/86/67/813358667.db2.gz NQSSNKPYXIIDJR-MRXNPFEDSA-N 2 2 291.826 3.163 20 30 CGEDLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001206573759 813358671 /nfs/dbraw/zinc/35/86/71/813358671.db2.gz NQSSNKPYXIIDJR-MRXNPFEDSA-N 2 2 291.826 3.163 20 30 CGEDLP C=CCCCCCCCC[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235113906 819009350 /nfs/dbraw/zinc/00/93/50/819009350.db2.gz HSYMLDYPSMUPRS-SFHVURJKSA-N 2 2 294.483 3.358 20 30 CGEDLP C=CCCCCCCCC[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235113906 819009354 /nfs/dbraw/zinc/00/93/54/819009354.db2.gz HSYMLDYPSMUPRS-SFHVURJKSA-N 2 2 294.483 3.358 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000651752442 398282524 /nfs/dbraw/zinc/28/25/24/398282524.db2.gz GGWAXTXVOWRPMS-HUUCEWRRSA-N 2 2 259.397 3.218 20 30 CGEDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)[C@H]2C1 ZINC000585781575 346730052 /nfs/dbraw/zinc/73/00/52/346730052.db2.gz SVRQDSNQSPHTMJ-WMZOPIPTSA-N 2 2 297.446 3.014 20 30 CGEDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)[C@H]2C1 ZINC000585781575 346730056 /nfs/dbraw/zinc/73/00/56/346730056.db2.gz SVRQDSNQSPHTMJ-WMZOPIPTSA-N 2 2 297.446 3.014 20 30 CGEDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@H]2C1 ZINC000585781575 346730059 /nfs/dbraw/zinc/73/00/59/346730059.db2.gz SVRQDSNQSPHTMJ-WMZOPIPTSA-N 2 2 297.446 3.014 20 30 CGEDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@H]2C1 ZINC000585781575 346730063 /nfs/dbraw/zinc/73/00/63/346730063.db2.gz SVRQDSNQSPHTMJ-WMZOPIPTSA-N 2 2 297.446 3.014 20 30 CGEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000595052791 347269867 /nfs/dbraw/zinc/26/98/67/347269867.db2.gz ABTHLEFJMICXBI-SJLPKXTDSA-N 2 2 297.446 3.398 20 30 CGEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000595052791 347269869 /nfs/dbraw/zinc/26/98/69/347269869.db2.gz ABTHLEFJMICXBI-SJLPKXTDSA-N 2 2 297.446 3.398 20 30 CGEDLP N#CC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000595090523 347280566 /nfs/dbraw/zinc/28/05/66/347280566.db2.gz HBVTUVQBJMNJKU-UHFFFAOYSA-N 2 2 298.434 3.114 20 30 CGEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccc(C#N)cc2)C1 ZINC000595096872 347282960 /nfs/dbraw/zinc/28/29/60/347282960.db2.gz NGIWGTWBUCLVOA-IRXDYDNUSA-N 2 2 271.408 3.083 20 30 CGEDLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccc(C#N)cc2)C1 ZINC000595096872 347282964 /nfs/dbraw/zinc/28/29/64/347282964.db2.gz NGIWGTWBUCLVOA-IRXDYDNUSA-N 2 2 271.408 3.083 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+][C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000602714261 348015697 /nfs/dbraw/zinc/01/56/97/348015697.db2.gz YAGZVHCHMYTWES-WMZOPIPTSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+][C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000602714261 348015699 /nfs/dbraw/zinc/01/56/99/348015699.db2.gz YAGZVHCHMYTWES-WMZOPIPTSA-N 2 2 285.435 3.180 20 30 CGEDLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000602740299 348022166 /nfs/dbraw/zinc/02/21/66/348022166.db2.gz VIVBLTXKZKHYSN-UHFFFAOYSA-N 2 2 285.435 3.173 20 30 CGEDLP C[C@H]([NH2+]CC1(CC#N)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000602805429 348031434 /nfs/dbraw/zinc/03/14/34/348031434.db2.gz JVBKYFWLVMDPKG-AWEZNQCLSA-N 2 2 280.375 3.217 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980938 348050955 /nfs/dbraw/zinc/05/09/55/348050955.db2.gz XQGFLMLXVOYWQO-QAPCUYQASA-N 2 2 294.402 3.305 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980938 348050960 /nfs/dbraw/zinc/05/09/60/348050960.db2.gz XQGFLMLXVOYWQO-QAPCUYQASA-N 2 2 294.402 3.305 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188973 349996227 /nfs/dbraw/zinc/99/62/27/349996227.db2.gz PTQCZSCUSHKZOK-SQWLQELKSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188973 349996229 /nfs/dbraw/zinc/99/62/29/349996229.db2.gz PTQCZSCUSHKZOK-SQWLQELKSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CC1 ZINC000624188996 349996648 /nfs/dbraw/zinc/99/66/48/349996648.db2.gz SENGVHRAKMZYQT-DLBZAZTESA-N 2 2 262.441 3.338 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CC1 ZINC000624188996 349996653 /nfs/dbraw/zinc/99/66/53/349996653.db2.gz SENGVHRAKMZYQT-DLBZAZTESA-N 2 2 262.441 3.338 20 30 CGEDLP C=CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)s1 ZINC000153194954 188070770 /nfs/dbraw/zinc/07/07/70/188070770.db2.gz WWHKFAYOMPFBNF-UHFFFAOYSA-N 2 2 281.812 3.286 20 30 CGEDLP C=CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)s1 ZINC000153194954 188070772 /nfs/dbraw/zinc/07/07/72/188070772.db2.gz WWHKFAYOMPFBNF-UHFFFAOYSA-N 2 2 281.812 3.286 20 30 CGEDLP Clc1ccc(C#CC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000177157545 189032919 /nfs/dbraw/zinc/03/29/19/189032919.db2.gz UDWMKMJAPFMXIX-UHFFFAOYSA-N 2 2 299.805 3.225 20 30 CGEDLP C#Cc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000289058407 371750737 /nfs/dbraw/zinc/75/07/37/371750737.db2.gz BSTLPHVTAIZLLJ-UHFFFAOYSA-N 2 2 279.387 3.045 20 30 CGEDLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442656277 373061201 /nfs/dbraw/zinc/06/12/01/373061201.db2.gz WEULDPBGVXZEHO-RYQLBKOJSA-N 2 2 285.435 3.351 20 30 CGEDLP C=CC[C@H]1[N@@H+](CCCn2cc[nH+]c2)CCCC1(C)C ZINC000444785847 373273812 /nfs/dbraw/zinc/27/38/12/373273812.db2.gz ZRMAJCVFWZIPNA-OAHLLOKOSA-N 2 2 261.413 3.340 20 30 CGEDLP C=CC[C@H]1[N@H+](CCCn2cc[nH+]c2)CCCC1(C)C ZINC000444785847 373273821 /nfs/dbraw/zinc/27/38/21/373273821.db2.gz ZRMAJCVFWZIPNA-OAHLLOKOSA-N 2 2 261.413 3.340 20 30 CGEDLP C=CCC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391349 373305451 /nfs/dbraw/zinc/30/54/51/373305451.db2.gz PXLTYKVJVMRMCJ-UHFFFAOYSA-N 2 2 273.424 3.196 20 30 CGEDLP C=CCC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391349 373305458 /nfs/dbraw/zinc/30/54/58/373305458.db2.gz PXLTYKVJVMRMCJ-UHFFFAOYSA-N 2 2 273.424 3.196 20 30 CGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000447562621 373452303 /nfs/dbraw/zinc/45/23/03/373452303.db2.gz MOLYVMPCZIIYGY-RWQQGDIJSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000447562621 373452308 /nfs/dbraw/zinc/45/23/08/373452308.db2.gz MOLYVMPCZIIYGY-RWQQGDIJSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000449238766 373674562 /nfs/dbraw/zinc/67/45/62/373674562.db2.gz HHZKACRGNWFWIO-MRXNPFEDSA-N 2 2 299.462 3.221 20 30 CGEDLP CC1(C#N)CCC([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000449287970 373676987 /nfs/dbraw/zinc/67/69/87/373676987.db2.gz XWQPAUNXRSPKGR-WIHSUSGWSA-N 2 2 275.440 3.065 20 30 CGEDLP CC1(C#N)CCC([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000449287970 373676993 /nfs/dbraw/zinc/67/69/93/373676993.db2.gz XWQPAUNXRSPKGR-WIHSUSGWSA-N 2 2 275.440 3.065 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000187713953 375079670 /nfs/dbraw/zinc/07/96/70/375079670.db2.gz BQEDSNOAPAZISC-MPGHIAIKSA-N 2 2 294.402 3.399 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000187713953 375079674 /nfs/dbraw/zinc/07/96/74/375079674.db2.gz BQEDSNOAPAZISC-MPGHIAIKSA-N 2 2 294.402 3.399 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335175884 375201923 /nfs/dbraw/zinc/20/19/23/375201923.db2.gz QCCPVRFXVUCGPC-ZDUSSCGKSA-N 2 2 280.375 3.222 20 30 CGEDLP Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)[NH+](C)C)cc1 ZINC000248836346 377411180 /nfs/dbraw/zinc/41/11/80/377411180.db2.gz NBMJVIVEHVIGLF-NJAFHUGGSA-N 2 2 285.435 3.270 20 30 CGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341835268 377620377 /nfs/dbraw/zinc/62/03/77/377620377.db2.gz NHNLTOMCOMJIFF-ZNZDAUKMSA-N 2 2 295.430 3.008 20 30 CGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341835268 377620380 /nfs/dbraw/zinc/62/03/80/377620380.db2.gz NHNLTOMCOMJIFF-ZNZDAUKMSA-N 2 2 295.430 3.008 20 30 CGEDLP C[C@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000342756726 377774543 /nfs/dbraw/zinc/77/45/43/377774543.db2.gz VHQOTHIHPGTEQO-MAUKXSAKSA-N 2 2 294.402 3.032 20 30 CGEDLP C[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000342756726 377774551 /nfs/dbraw/zinc/77/45/51/377774551.db2.gz VHQOTHIHPGTEQO-MAUKXSAKSA-N 2 2 294.402 3.032 20 30 CGEDLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]CC(C)(C)CCC#N ZINC000344217073 378163531 /nfs/dbraw/zinc/16/35/31/378163531.db2.gz JJFVSPNPKXQRGA-HUUCEWRRSA-N 2 2 265.445 3.169 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583935149 378359776 /nfs/dbraw/zinc/35/97/76/378359776.db2.gz RWJQEISCQWNIAG-QZTJIDSGSA-N 2 2 297.446 3.465 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583935149 378359781 /nfs/dbraw/zinc/35/97/81/378359781.db2.gz RWJQEISCQWNIAG-QZTJIDSGSA-N 2 2 297.446 3.465 20 30 CGEDLP C[N@@H+]1CC[C@H]([NH2+]CCCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000375069879 379486156 /nfs/dbraw/zinc/48/61/56/379486156.db2.gz CUTOCNBXLGVVLH-DLBZAZTESA-N 2 2 285.435 3.351 20 30 CGEDLP C[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000375069879 379486158 /nfs/dbraw/zinc/48/61/58/379486158.db2.gz CUTOCNBXLGVVLH-DLBZAZTESA-N 2 2 285.435 3.351 20 30 CGEDLP CC[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)[NH+]1CCCC1 ZINC000353412209 380206204 /nfs/dbraw/zinc/20/62/04/380206204.db2.gz LDWFUKQBIXYMJC-WMZOPIPTSA-N 2 2 283.419 3.010 20 30 CGEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000414310879 380212471 /nfs/dbraw/zinc/21/24/71/380212471.db2.gz XHXZGCMEJGLDKV-JQHSSLGASA-N 2 2 284.447 3.389 20 30 CGEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000414310879 380212473 /nfs/dbraw/zinc/21/24/73/380212473.db2.gz XHXZGCMEJGLDKV-JQHSSLGASA-N 2 2 284.447 3.389 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000179421047 260047826 /nfs/dbraw/zinc/04/78/26/260047826.db2.gz FZUKBJGQZXUSRC-CYBMUJFWSA-N 2 2 292.398 3.135 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000283371975 392303968 /nfs/dbraw/zinc/30/39/68/392303968.db2.gz OBFQBKKISUEKAI-MNEFBYGVSA-N 2 2 284.447 3.419 20 30 CGEDLP CC[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000442708765 393738802 /nfs/dbraw/zinc/73/88/02/393738802.db2.gz LHGVDVCJQSIKHQ-ATZDWAIDSA-N 2 2 297.446 3.105 20 30 CGEDLP CC[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000442708765 393738804 /nfs/dbraw/zinc/73/88/04/393738804.db2.gz LHGVDVCJQSIKHQ-ATZDWAIDSA-N 2 2 297.446 3.105 20 30 CGEDLP C=CCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000657524791 419296910 /nfs/dbraw/zinc/29/69/10/419296910.db2.gz ROIZOGDUSFEAQT-INIZCTEOSA-N 2 2 288.435 3.214 20 30 CGEDLP C=CCOc1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000657524791 419296913 /nfs/dbraw/zinc/29/69/13/419296913.db2.gz ROIZOGDUSFEAQT-INIZCTEOSA-N 2 2 288.435 3.214 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000180489655 260103997 /nfs/dbraw/zinc/10/39/97/260103997.db2.gz UNGFEQQBNIVGHE-KXBFYZLASA-N 2 2 284.447 3.468 20 30 CGEDLP C[C@H](C[NH2+]CC(C)(C)CCC#N)[N@H+](C)Cc1ccccc1 ZINC000174375856 261184484 /nfs/dbraw/zinc/18/44/84/261184484.db2.gz FNCIJFQMMVQWMD-MRXNPFEDSA-N 2 2 287.451 3.426 20 30 CGEDLP C[C@H](C[NH2+]CC(C)(C)CCC#N)[N@@H+](C)Cc1ccccc1 ZINC000174375856 261184485 /nfs/dbraw/zinc/18/44/85/261184485.db2.gz FNCIJFQMMVQWMD-MRXNPFEDSA-N 2 2 287.451 3.426 20 30 CGEDLP C=CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000364191768 262182879 /nfs/dbraw/zinc/18/28/79/262182879.db2.gz VMUBPBAQOXXRLJ-WMZOPIPTSA-N 2 2 287.451 3.238 20 30 CGEDLP C=CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000364191768 262182881 /nfs/dbraw/zinc/18/28/81/262182881.db2.gz VMUBPBAQOXXRLJ-WMZOPIPTSA-N 2 2 287.451 3.238 20 30 CGEDLP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000294949569 263169772 /nfs/dbraw/zinc/16/97/72/263169772.db2.gz CXTFNLYSXHVCKP-CAMMJAKZSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@H+]1Cc1ccccc1 ZINC000294949569 263169773 /nfs/dbraw/zinc/16/97/73/263169773.db2.gz CXTFNLYSXHVCKP-CAMMJAKZSA-N 2 2 297.446 3.321 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CC[C@H]1SC)C(C)C ZINC000425362396 264134776 /nfs/dbraw/zinc/13/47/76/264134776.db2.gz USGSDZAPOBMOAJ-ARFHVFGLSA-N 2 2 282.497 3.169 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3nc(C)sc32)CC1 ZINC000177911268 275427454 /nfs/dbraw/zinc/42/74/54/275427454.db2.gz OTXOBXVXERHWJS-HNNXBMFYSA-N 2 2 291.464 3.069 20 30 CGEDLP CC#CC[N@H+](C)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000571065509 328083780 /nfs/dbraw/zinc/08/37/80/328083780.db2.gz ZEZRMOMMVCFFEL-UHFFFAOYSA-N 2 2 283.419 3.470 20 30 CGEDLP CC#CC[N@@H+](C)CCCCCn1c(C)[nH+]c2ccccc21 ZINC000571065509 328083781 /nfs/dbraw/zinc/08/37/81/328083781.db2.gz ZEZRMOMMVCFFEL-UHFFFAOYSA-N 2 2 283.419 3.470 20 30 CGEDLP N#Cc1cccc(C2([NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)CC2)c1 ZINC000572868804 322359191 /nfs/dbraw/zinc/35/91/91/322359191.db2.gz HTMWMFJNGHUXKR-MSOLQXFVSA-N 2 2 289.382 3.282 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H](C)C1CC1)C(C)C ZINC000480754903 331787138 /nfs/dbraw/zinc/78/71/38/331787138.db2.gz FIXRINDCBAFESP-GOEBONIOSA-N 2 2 250.430 3.073 20 30 CGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]C[C@H]1CCSC1)C(C)C ZINC000486940286 331950588 /nfs/dbraw/zinc/95/05/88/331950588.db2.gz KOUUNEKLJDMDLD-CVEARBPZSA-N 2 2 282.497 3.028 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000177908219 333065669 /nfs/dbraw/zinc/06/56/69/333065669.db2.gz KUXHLBPBHJZMRO-HNNXBMFYSA-N 2 2 288.435 3.305 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cn3ccccc3n2)CC1 ZINC000548056386 334137429 /nfs/dbraw/zinc/13/74/29/334137429.db2.gz GEASOUMDRXHIPC-OAHLLOKOSA-N 2 2 298.434 3.025 20 30 CGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000248721351 334314640 /nfs/dbraw/zinc/31/46/40/334314640.db2.gz CIGPFZQJDLPREV-FUHWJXTLSA-N 2 2 299.462 3.426 20 30 CGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000248721351 334314642 /nfs/dbraw/zinc/31/46/42/334314642.db2.gz CIGPFZQJDLPREV-FUHWJXTLSA-N 2 2 299.462 3.426 20 30 CGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000248721353 334314710 /nfs/dbraw/zinc/31/47/10/334314710.db2.gz CIGPFZQJDLPREV-SJLPKXTDSA-N 2 2 299.462 3.426 20 30 CGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000248721353 334314712 /nfs/dbraw/zinc/31/47/12/334314712.db2.gz CIGPFZQJDLPREV-SJLPKXTDSA-N 2 2 299.462 3.426 20 30 CGEDLP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000386932219 336182392 /nfs/dbraw/zinc/18/23/92/336182392.db2.gz UBMNKVVIZXZPGC-NVXWUHKLSA-N 2 2 258.409 3.205 20 30 CGEDLP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000386932219 336182394 /nfs/dbraw/zinc/18/23/94/336182394.db2.gz UBMNKVVIZXZPGC-NVXWUHKLSA-N 2 2 258.409 3.205 20 30 CGEDLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423237336 529178614 /nfs/dbraw/zinc/17/86/14/529178614.db2.gz IHMAVFRVUOBFBR-ZWKOTPCHSA-N 2 2 279.387 3.299 20 30 CGEDLP N#CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000903106837 621579247 /nfs/dbraw/zinc/57/92/47/621579247.db2.gz WQCCIAMDIKZFOF-BCDXTJNWSA-N 2 2 295.430 3.075 20 30 CGEDLP N#CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000903106837 621579258 /nfs/dbraw/zinc/57/92/58/621579258.db2.gz WQCCIAMDIKZFOF-BCDXTJNWSA-N 2 2 295.430 3.075 20 30 CGEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938632 632239702 /nfs/dbraw/zinc/23/97/02/632239702.db2.gz OQPQKFJWIZLOCO-DOTOQJQBSA-N 2 2 275.440 3.087 20 30 CGEDLP C=CC[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000878521833 635540003 /nfs/dbraw/zinc/54/00/03/635540003.db2.gz FLBDQYHAVNOGSE-AWEZNQCLSA-N 2 2 260.381 3.198 20 30 CGEDLP C=CCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569137 636023210 /nfs/dbraw/zinc/02/32/10/636023210.db2.gz IWAXLUPDLQAWSP-MRXNPFEDSA-N 2 2 255.365 3.180 20 30 CGEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)s1 ZINC000135685257 637155468 /nfs/dbraw/zinc/15/54/68/637155468.db2.gz JOBDBNYSNLTBGC-CQSZACIVSA-N 2 2 288.420 3.021 20 30 CGEDLP C[N@H+](CCCCC1(C#N)CCC1)CCCn1cc[nH+]c1 ZINC000930126326 638976165 /nfs/dbraw/zinc/97/61/65/638976165.db2.gz ROZJBBQMWCLFJI-UHFFFAOYSA-N 2 2 274.412 3.069 20 30 CGEDLP C[N@@H+](CCCCC1(C#N)CCC1)CCCn1cc[nH+]c1 ZINC000930126326 638976167 /nfs/dbraw/zinc/97/61/67/638976167.db2.gz ROZJBBQMWCLFJI-UHFFFAOYSA-N 2 2 274.412 3.069 20 30 CGEDLP C=CCc1cccc(C[N@@H+](CC)C2CC[NH+](C)CC2)c1O ZINC001138629107 803986339 /nfs/dbraw/zinc/98/63/39/803986339.db2.gz OGYUBGLQWGDPHE-UHFFFAOYSA-N 2 2 288.435 3.037 20 30 CGEDLP C=CCc1cccc(C[N@H+](CC)C2CC[NH+](C)CC2)c1O ZINC001138629107 803986344 /nfs/dbraw/zinc/98/63/44/803986344.db2.gz OGYUBGLQWGDPHE-UHFFFAOYSA-N 2 2 288.435 3.037 20 30 CGEDLP CCCCCCCC[C@H](CCC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246088555 804120480 /nfs/dbraw/zinc/12/04/80/804120480.db2.gz KZYGVPLMAXYGRL-DLBZAZTESA-N 2 2 284.488 3.484 20 30 CGEDLP CCCCCCCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC001246093555 804125808 /nfs/dbraw/zinc/12/58/08/804125808.db2.gz OKUYBLFEWBJDNT-HZPDHXFCSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCCC[C@@H](CC)[NH2+][C@@H]1CCOC12C[NH2+]C2 ZINC001246131120 804158151 /nfs/dbraw/zinc/15/81/51/804158151.db2.gz XAOFBMIBYPEDKX-HZPDHXFCSA-N 2 2 282.472 3.236 20 30 CGEDLP CCCCCCCCCC[C@@H](C)[NH2+]CC[NH2+]CCO ZINC001246380246 804314562 /nfs/dbraw/zinc/31/45/62/804314562.db2.gz UUZWUHJSBFVBPM-MRXNPFEDSA-N 2 2 272.477 3.077 20 30 CGEDLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(C)(C#N)CC1 ZINC001140027026 804354215 /nfs/dbraw/zinc/35/42/15/804354215.db2.gz VHBRORDAZAKHMF-UHFFFAOYSA-N 2 2 294.402 3.306 20 30 CGEDLP C#CC1CC[NH+](Cc2ccccc2-n2cc[nH+]c2C)CC1 ZINC001140027598 804355278 /nfs/dbraw/zinc/35/52/78/804355278.db2.gz RLWLRJAJWKAHRD-UHFFFAOYSA-N 2 2 279.387 3.026 20 30 CGEDLP CCCCCCC[C@@H](CCC)[N@H+]1C[C@H]2C[NH2+]C[C@@H](C1)O2 ZINC001246677890 804492674 /nfs/dbraw/zinc/49/26/74/804492674.db2.gz KBCOLERIBOHJCW-ZACQAIPSSA-N 2 2 282.472 3.188 20 30 CGEDLP CCCCCCC[C@@H](CCC)[N@@H+]1C[C@H]2C[NH2+]C[C@@H](C1)O2 ZINC001246677890 804492680 /nfs/dbraw/zinc/49/26/80/804492680.db2.gz KBCOLERIBOHJCW-ZACQAIPSSA-N 2 2 282.472 3.188 20 30 CGEDLP N#CC1CCC(n2c[nH+]cc2-c2cccc(C[NH3+])c2)CC1 ZINC001256963176 807017533 /nfs/dbraw/zinc/01/75/33/807017533.db2.gz DJENMTBZIKYVCL-UHFFFAOYSA-N 2 2 280.375 3.264 20 30 CGEDLP C=C1C[C@@H]2CC([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)C[C@H](C1)C2 ZINC001257890430 807241044 /nfs/dbraw/zinc/24/10/44/807241044.db2.gz LLGWXOVHDINYPK-TVXGVJEUSA-N 2 2 274.452 3.338 20 30 CGEDLP C=C1C[C@@H]2CC([NH2+][C@H]3CC[N@H+](C4CCC4)C3)C[C@H](C1)C2 ZINC001257890430 807241048 /nfs/dbraw/zinc/24/10/48/807241048.db2.gz LLGWXOVHDINYPK-TVXGVJEUSA-N 2 2 274.452 3.338 20 30 CGEDLP CCC[C@@](C)(C#N)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258905051 807671061 /nfs/dbraw/zinc/67/10/61/807671061.db2.gz ONPLHOGGSJYPCA-CABCVRRESA-N 2 2 253.434 3.169 20 30 CGEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001171189412 808004448 /nfs/dbraw/zinc/00/44/48/808004448.db2.gz FTSXQEXRCTXXMJ-SJORKVTESA-N 2 2 299.462 3.199 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(F)c3cccnc23)CC1 ZINC001177683341 809814605 /nfs/dbraw/zinc/81/46/05/809814605.db2.gz BACQAZSLAKHJDY-UHFFFAOYSA-N 2 2 299.393 3.114 20 30 CGEDLP CCCCCCC[NH+](CCC[NH+](C)C)CCC[NH+](C)C ZINC001201788118 811964919 /nfs/dbraw/zinc/96/49/19/811964919.db2.gz XRIZLQPRYDKGBB-UHFFFAOYSA-N 3 2 285.520 3.162 20 30 CGEDLP C=CCOc1ccc(C[N@@H+](CC)C2CC[NH+](C)CC2)cc1 ZINC001204300467 812604672 /nfs/dbraw/zinc/60/46/72/812604672.db2.gz RWUSQOBDURUHFC-UHFFFAOYSA-N 2 2 288.435 3.168 20 30 CGEDLP C=CCOc1ccc(C[N@H+](CC)C2CC[NH+](C)CC2)cc1 ZINC001204300467 812604675 /nfs/dbraw/zinc/60/46/75/812604675.db2.gz RWUSQOBDURUHFC-UHFFFAOYSA-N 2 2 288.435 3.168 20 30 CGEDLP C[NH+]1CCC([N@H+](Cc2ccccc2C#N)C2CCCC2)CC1 ZINC001204374665 812622592 /nfs/dbraw/zinc/62/25/92/812622592.db2.gz DITHISRWZBBYEI-UHFFFAOYSA-N 2 2 297.446 3.397 20 30 CGEDLP C[NH+]1CCC([N@@H+](Cc2ccccc2C#N)C2CCCC2)CC1 ZINC001204374665 812622596 /nfs/dbraw/zinc/62/25/96/812622596.db2.gz DITHISRWZBBYEI-UHFFFAOYSA-N 2 2 297.446 3.397 20 30 CGEDLP C[NH2+]Cc1cccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)c1 ZINC001242995836 823203788 /nfs/dbraw/zinc/20/37/88/823203788.db2.gz LRZXSHAUZYSHNF-FYJGNVAPSA-N 2 2 292.386 3.166 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)CC1 ZINC001236202270 819366493 /nfs/dbraw/zinc/36/64/93/819366493.db2.gz POXOLPZDVXOXFX-IAGOWNOFSA-N 2 2 262.441 3.363 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)CC1 ZINC001236202270 819366500 /nfs/dbraw/zinc/36/65/00/819366500.db2.gz POXOLPZDVXOXFX-IAGOWNOFSA-N 2 2 262.441 3.363 20 30 CGEDLP C=CCCCCCCC[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236331726 819428413 /nfs/dbraw/zinc/42/84/13/819428413.db2.gz YMIPHVYZWCIILP-KRWDZBQOSA-N 2 2 282.472 3.213 20 30 CGEDLP C=CCCCCCCC[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236331726 819428418 /nfs/dbraw/zinc/42/84/18/819428418.db2.gz YMIPHVYZWCIILP-KRWDZBQOSA-N 2 2 282.472 3.213 20 30 CGEDLP C=CCCCCCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237142611 819676717 /nfs/dbraw/zinc/67/67/17/819676717.db2.gz OMKDMDGWYJZACG-SFHVURJKSA-N 2 2 294.483 3.358 20 30 CGEDLP C=CCCCCCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001237142611 819676723 /nfs/dbraw/zinc/67/67/23/819676723.db2.gz OMKDMDGWYJZACG-SFHVURJKSA-N 2 2 294.483 3.358 20 30 CGEDLP C#Cc1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001560503834 938260592 /nfs/dbraw/zinc/26/05/92/938260592.db2.gz WOCFMGCAYIKTDU-UHFFFAOYSA-N 2 2 293.395 3.205 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000651677881 398268056 /nfs/dbraw/zinc/26/80/56/398268056.db2.gz YDCQQSPLEJVJMD-NVXWUHKLSA-N 2 2 285.435 3.385 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000354328134 260232526 /nfs/dbraw/zinc/23/25/26/260232526.db2.gz IPIAFFGDXSHXKD-CYBMUJFWSA-N 2 2 264.457 3.297 20 30 CGEDLP C[C@H](C[NH2+]CC(C)(C)CCC#N)[NH+]1CCC(C)CC1 ZINC000174320822 346240612 /nfs/dbraw/zinc/24/06/12/346240612.db2.gz RBSNSTPLIIGAFO-OAHLLOKOSA-N 2 2 265.445 3.026 20 30 CGEDLP C[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693184 347104797 /nfs/dbraw/zinc/10/47/97/347104797.db2.gz RQGDIZYOEBLVPM-KXBFYZLASA-N 2 2 297.446 3.301 20 30 CGEDLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(C#N)c1 ZINC000594519811 347188335 /nfs/dbraw/zinc/18/83/35/347188335.db2.gz LNRNFIPRMNFGIV-BMGDILEWSA-N 2 2 283.419 3.226 20 30 CGEDLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(C#N)c1 ZINC000594519811 347188338 /nfs/dbraw/zinc/18/83/38/347188338.db2.gz LNRNFIPRMNFGIV-BMGDILEWSA-N 2 2 283.419 3.226 20 30 CGEDLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594992540 347250920 /nfs/dbraw/zinc/25/09/20/347250920.db2.gz UCFFPJVTQNVKBQ-QGZVFWFLSA-N 2 2 285.435 3.062 20 30 CGEDLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594992540 347250926 /nfs/dbraw/zinc/25/09/26/347250926.db2.gz UCFFPJVTQNVKBQ-QGZVFWFLSA-N 2 2 285.435 3.062 20 30 CGEDLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000594723576 347213390 /nfs/dbraw/zinc/21/33/90/347213390.db2.gz LHXOHJAJTCMSJD-CZUORRHYSA-N 2 2 271.408 3.082 20 30 CGEDLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000594723576 347213395 /nfs/dbraw/zinc/21/33/95/347213395.db2.gz LHXOHJAJTCMSJD-CZUORRHYSA-N 2 2 271.408 3.082 20 30 CGEDLP C[C@@]1(C#N)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000595841374 347365259 /nfs/dbraw/zinc/36/52/59/347365259.db2.gz LEOFHUQKVUZQFC-IBGZPJMESA-N 2 2 297.446 3.408 20 30 CGEDLP C[C@@]1(C#N)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000595841374 347365261 /nfs/dbraw/zinc/36/52/61/347365261.db2.gz LEOFHUQKVUZQFC-IBGZPJMESA-N 2 2 297.446 3.408 20 30 CGEDLP Cc1ccc(CCC[NH2+]CC2(C#N)CCCCC2)c[nH+]1 ZINC000597225030 347557603 /nfs/dbraw/zinc/55/76/03/347557603.db2.gz LVSWXFBSGHKMGP-UHFFFAOYSA-N 2 2 271.408 3.386 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000598894863 347698443 /nfs/dbraw/zinc/69/84/43/347698443.db2.gz FKOJTEQXWGEIJK-VYDXJSESSA-N 2 2 273.424 3.207 20 30 CGEDLP CC[C@H](C[NH2+]C[C@@H](C)CCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000602511508 347973019 /nfs/dbraw/zinc/97/30/19/347973019.db2.gz NNILRNAMXDTTGA-QFBILLFUSA-N 2 2 299.462 3.353 20 30 CGEDLP CC[C@H](C[NH2+]C[C@@H](C)CCC#N)[N@H+]1CCc2ccccc2C1 ZINC000602511508 347973022 /nfs/dbraw/zinc/97/30/22/347973022.db2.gz NNILRNAMXDTTGA-QFBILLFUSA-N 2 2 299.462 3.353 20 30 CGEDLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1cccc(C#N)c1 ZINC000611278560 348434956 /nfs/dbraw/zinc/43/49/56/348434956.db2.gz JSNWSVUQGFSKNS-CYBMUJFWSA-N 2 2 276.343 3.057 20 30 CGEDLP CC[C@@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)[NH+]1CCCC1 ZINC000611390584 348444658 /nfs/dbraw/zinc/44/46/58/348444658.db2.gz JFWZPSGUKUCRIA-PKOBYXMFSA-N 2 2 297.446 3.400 20 30 CGEDLP C=C(Cl)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271435560 191137022 /nfs/dbraw/zinc/13/70/22/191137022.db2.gz COXXMSDZRHYFDQ-BBRMVZONSA-N 2 2 278.827 3.239 20 30 CGEDLP C=C(Cl)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000271435560 191137025 /nfs/dbraw/zinc/13/70/25/191137025.db2.gz COXXMSDZRHYFDQ-BBRMVZONSA-N 2 2 278.827 3.239 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccnc2Cl)CC1 ZINC000177907502 189078228 /nfs/dbraw/zinc/07/82/28/189078228.db2.gz QXJJYBDEIOAYAK-LBPRGKRZSA-N 2 2 279.815 3.036 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2sc(CC)nc2C)CC1 ZINC000177904973 189078623 /nfs/dbraw/zinc/07/86/23/189078623.db2.gz DHVJXMCZLKOITQ-LBPRGKRZSA-N 2 2 293.480 3.315 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442635064 373059287 /nfs/dbraw/zinc/05/92/87/373059287.db2.gz OOHPGIQLYKAGTC-GJZGRUSLSA-N 2 2 282.391 3.017 20 30 CGEDLP CC[C@@H]([NH2+]CC[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000447541743 373447863 /nfs/dbraw/zinc/44/78/63/373447863.db2.gz MXEUOVVBIPJRSS-QGZVFWFLSA-N 2 2 271.408 3.085 20 30 CGEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129635231 296225804 /nfs/dbraw/zinc/22/58/04/296225804.db2.gz LVRZUHLPYWLYQA-MPGHIAIKSA-N 2 2 294.402 3.399 20 30 CGEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129635231 296225805 /nfs/dbraw/zinc/22/58/05/296225805.db2.gz LVRZUHLPYWLYQA-MPGHIAIKSA-N 2 2 294.402 3.399 20 30 CGEDLP C=CC[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482123996 375167180 /nfs/dbraw/zinc/16/71/80/375167180.db2.gz HJDKMSYKKHZDOK-KRWDZBQOSA-N 2 2 272.436 3.235 20 30 CGEDLP C=CC[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482123996 375167185 /nfs/dbraw/zinc/16/71/85/375167185.db2.gz HJDKMSYKKHZDOK-KRWDZBQOSA-N 2 2 272.436 3.235 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000482633946 375171204 /nfs/dbraw/zinc/17/12/04/375171204.db2.gz YHUJIVVOUMHTNI-ACJLOTCBSA-N 2 2 288.410 3.299 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2c3cc(F)ccc3C[C@H]2C)CC1 ZINC000482633947 375171460 /nfs/dbraw/zinc/17/14/60/375171460.db2.gz YHUJIVVOUMHTNI-FZKQIMNGSA-N 2 2 288.410 3.299 20 30 CGEDLP CC(C)[NH2+]C1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000189950478 375461474 /nfs/dbraw/zinc/46/14/74/375461474.db2.gz HRVHIWWEWUZAMS-CQSZACIVSA-N 2 2 271.408 3.082 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ncccc2CC)CC1 ZINC000507486800 375706920 /nfs/dbraw/zinc/70/69/20/375706920.db2.gz PJFIFFJITPAJKI-OAHLLOKOSA-N 2 2 287.451 3.335 20 30 CGEDLP C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000246712016 377075059 /nfs/dbraw/zinc/07/50/59/377075059.db2.gz XZBFRKTXTFMZKG-HUUCEWRRSA-N 2 2 274.412 3.096 20 30 CGEDLP C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000246712016 377075068 /nfs/dbraw/zinc/07/50/68/377075068.db2.gz XZBFRKTXTFMZKG-HUUCEWRRSA-N 2 2 274.412 3.096 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000248800109 377402292 /nfs/dbraw/zinc/40/22/92/377402292.db2.gz JOVBJMINIJTDKI-NEWSRXKRSA-N 2 2 297.446 3.495 20 30 CGEDLP C=C(C)CC[NH+]1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000351872587 379748200 /nfs/dbraw/zinc/74/82/00/379748200.db2.gz DUBXXSOYDYPZRJ-OWCLPIDISA-N 2 2 250.430 3.290 20 30 CGEDLP C=C(C)CC[NH+]1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000351872587 379748201 /nfs/dbraw/zinc/74/82/01/379748201.db2.gz DUBXXSOYDYPZRJ-OWCLPIDISA-N 2 2 250.430 3.290 20 30 CGEDLP C=C(C)CC[N@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000351872587 379748206 /nfs/dbraw/zinc/74/82/06/379748206.db2.gz DUBXXSOYDYPZRJ-OWCLPIDISA-N 2 2 250.430 3.290 20 30 CGEDLP C=C(C)CC[N@@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000351872587 379748209 /nfs/dbraw/zinc/74/82/09/379748209.db2.gz DUBXXSOYDYPZRJ-OWCLPIDISA-N 2 2 250.430 3.290 20 30 CGEDLP C=CCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389837886 379902482 /nfs/dbraw/zinc/90/24/82/379902482.db2.gz LKGRFBAPEKZYQO-WBVHZDCISA-N 2 2 258.409 3.063 20 30 CGEDLP C=CCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389837886 379902487 /nfs/dbraw/zinc/90/24/87/379902487.db2.gz LKGRFBAPEKZYQO-WBVHZDCISA-N 2 2 258.409 3.063 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414110627 380191529 /nfs/dbraw/zinc/19/15/29/380191529.db2.gz IHAPKLSCDZHUHG-HOTGVXAUSA-N 2 2 294.483 3.209 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccsc2Cl)CC1 ZINC000359733845 381365030 /nfs/dbraw/zinc/36/50/30/381365030.db2.gz IKYVHHTXWOCRNO-UHFFFAOYSA-N 2 2 270.829 3.142 20 30 CGEDLP C=CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CC1 ZINC000361865293 381873153 /nfs/dbraw/zinc/87/31/53/381873153.db2.gz MKWMVCTUALBZNE-UHFFFAOYSA-N 2 2 267.376 3.331 20 30 CGEDLP C=CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C1CC1 ZINC000361865293 381873158 /nfs/dbraw/zinc/87/31/58/381873158.db2.gz MKWMVCTUALBZNE-UHFFFAOYSA-N 2 2 267.376 3.331 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000284055449 392309383 /nfs/dbraw/zinc/30/93/83/392309383.db2.gz KMZSIHKBQZDPII-OAHLLOKOSA-N 2 2 288.435 3.310 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)c3ccccc32)CC1 ZINC000289102634 392413439 /nfs/dbraw/zinc/41/34/39/392413439.db2.gz CGPTUJVZGHIPRC-KBXCAEBGSA-N 2 2 270.420 3.475 20 30 CGEDLP C[C@H](CCC#N)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000411688035 392984286 /nfs/dbraw/zinc/98/42/86/392984286.db2.gz HPQOXFNUZZUBON-HUUCEWRRSA-N 2 2 286.423 3.091 20 30 CGEDLP C[C@H](CCC#N)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000411688035 392984292 /nfs/dbraw/zinc/98/42/92/392984292.db2.gz HPQOXFNUZZUBON-HUUCEWRRSA-N 2 2 286.423 3.091 20 30 CGEDLP N#CCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CC1 ZINC000346135045 393076033 /nfs/dbraw/zinc/07/60/33/393076033.db2.gz GOGNBYPIDATCDZ-UHFFFAOYSA-N 2 2 286.404 3.059 20 30 CGEDLP N#CCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CC1 ZINC000346135045 393076034 /nfs/dbraw/zinc/07/60/34/393076034.db2.gz GOGNBYPIDATCDZ-UHFFFAOYSA-N 2 2 286.404 3.059 20 30 CGEDLP CC#CCC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000360493623 393568188 /nfs/dbraw/zinc/56/81/88/393568188.db2.gz YAUZXKSAPUFDRJ-MRXNPFEDSA-N 2 2 281.403 3.223 20 30 CGEDLP CC#CCC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000360493623 393568193 /nfs/dbraw/zinc/56/81/93/393568193.db2.gz YAUZXKSAPUFDRJ-MRXNPFEDSA-N 2 2 281.403 3.223 20 30 CGEDLP C=CCC[C@H](CC)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848782 419118321 /nfs/dbraw/zinc/11/83/21/419118321.db2.gz KIYFBRCBWFYXBS-JYJNAYRXSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@H](CC)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848782 419118324 /nfs/dbraw/zinc/11/83/24/419118324.db2.gz KIYFBRCBWFYXBS-JYJNAYRXSA-N 2 2 250.430 3.338 20 30 CGEDLP CCC#C[C@H](C)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675456 419180640 /nfs/dbraw/zinc/18/06/40/419180640.db2.gz JXZUWMLSANENBV-INIZCTEOSA-N 2 2 270.420 3.043 20 30 CGEDLP CCC#C[C@@H](C)[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660675457 419180896 /nfs/dbraw/zinc/18/08/96/419180896.db2.gz JXZUWMLSANENBV-MRXNPFEDSA-N 2 2 270.420 3.043 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C(F)F)nc2)CC1 ZINC000657874903 419398565 /nfs/dbraw/zinc/39/85/65/419398565.db2.gz CKFZRPXPCDWRRN-GFCCVEGCSA-N 2 2 295.377 3.320 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000657902809 419427234 /nfs/dbraw/zinc/42/72/34/419427234.db2.gz AFPOVGRMVJPEND-FSDCSDTHSA-N 2 2 262.441 3.194 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000657902809 419427245 /nfs/dbraw/zinc/42/72/45/419427245.db2.gz AFPOVGRMVJPEND-FSDCSDTHSA-N 2 2 262.441 3.194 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000180489618 260103883 /nfs/dbraw/zinc/10/38/83/260103883.db2.gz UNGFEQQBNIVGHE-BEFAXECRSA-N 2 2 284.447 3.468 20 30 CGEDLP C[NH+](C)C1(C[NH2+]CC(C)(C)CCC#N)Cc2ccccc2C1 ZINC000266164938 262914640 /nfs/dbraw/zinc/91/46/40/262914640.db2.gz OUMXSSQWZCAQNV-UHFFFAOYSA-N 2 2 299.462 3.005 20 30 CGEDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000340440576 263150579 /nfs/dbraw/zinc/15/05/79/263150579.db2.gz CJGMQTNWJKPCBQ-RYQLBKOJSA-N 2 2 285.435 3.351 20 30 CGEDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)C1 ZINC000340440576 263150581 /nfs/dbraw/zinc/15/05/81/263150581.db2.gz CJGMQTNWJKPCBQ-RYQLBKOJSA-N 2 2 285.435 3.351 20 30 CGEDLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000571733776 322306534 /nfs/dbraw/zinc/30/65/34/322306534.db2.gz CWVRLPFCMIJUKZ-BEFAXECRSA-N 2 2 297.446 3.257 20 30 CGEDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000571733776 322306535 /nfs/dbraw/zinc/30/65/35/322306535.db2.gz CWVRLPFCMIJUKZ-BEFAXECRSA-N 2 2 297.446 3.257 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccncc2Cl)CC1 ZINC000421838051 330092571 /nfs/dbraw/zinc/09/25/71/330092571.db2.gz UNSNXFYTTZEMRN-GFCCVEGCSA-N 2 2 279.815 3.036 20 30 CGEDLP C=C(CC)C[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423167762 330174310 /nfs/dbraw/zinc/17/43/10/330174310.db2.gz XCWAIXIJMLVDNZ-DLBZAZTESA-N 2 2 274.408 3.044 20 30 CGEDLP C=CC(C)(C)CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000527733031 330278360 /nfs/dbraw/zinc/27/83/60/330278360.db2.gz BELGUHXPHKBIBZ-UHFFFAOYSA-N 2 2 287.451 3.238 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000106246067 330333853 /nfs/dbraw/zinc/33/38/53/330333853.db2.gz ZSLIXWCNOFYCDD-UHFFFAOYSA-N 2 2 280.362 3.095 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442635063 330777781 /nfs/dbraw/zinc/77/77/81/330777781.db2.gz OOHPGIQLYKAGTC-CABCVRRESA-N 2 2 282.391 3.017 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OCC)C2(CC)CC)CC1 ZINC000181716317 335780416 /nfs/dbraw/zinc/78/04/16/335780416.db2.gz GUCKOLYAYSPOAV-DLBZAZTESA-N 2 2 294.483 3.210 20 30 CGEDLP C=CCC[C@H](C)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000381066015 336047738 /nfs/dbraw/zinc/04/77/38/336047738.db2.gz NCKXKMQJVNUOKO-JKSUJKDBSA-N 2 2 260.425 3.451 20 30 CGEDLP C=CCC[C@H](C)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000381066015 336047740 /nfs/dbraw/zinc/04/77/40/336047740.db2.gz NCKXKMQJVNUOKO-JKSUJKDBSA-N 2 2 260.425 3.451 20 30 CGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1Cl ZINC000347056567 526871930 /nfs/dbraw/zinc/87/19/30/526871930.db2.gz VLLJMVCDRSYKQP-WFASDCNBSA-N 2 2 294.826 3.074 20 30 CGEDLP C=CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1Cl ZINC000347056567 526871934 /nfs/dbraw/zinc/87/19/34/526871934.db2.gz VLLJMVCDRSYKQP-WFASDCNBSA-N 2 2 294.826 3.074 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000924728051 620579941 /nfs/dbraw/zinc/57/99/41/620579941.db2.gz DPRKAKIAOURNSJ-UONOGXRCSA-N 2 2 276.428 3.216 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2cccc(C#N)c2)CC1 ZINC000902795903 621451503 /nfs/dbraw/zinc/45/15/03/621451503.db2.gz KWOJHNCGRADIRN-GOSISDBHSA-N 2 2 283.419 3.249 20 30 CGEDLP C#C[C@H](CC)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877513321 635066239 /nfs/dbraw/zinc/06/62/39/635066239.db2.gz RBNHCXCNTUIPBG-ZIFCJYIRSA-N 2 2 282.431 3.356 20 30 CGEDLP C#C[C@H](CC)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877513321 635066246 /nfs/dbraw/zinc/06/62/46/635066246.db2.gz RBNHCXCNTUIPBG-ZIFCJYIRSA-N 2 2 282.431 3.356 20 30 CGEDLP C#CCCCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000878320850 635460308 /nfs/dbraw/zinc/46/03/08/635460308.db2.gz KKHSJHUAIHXNPK-UHFFFAOYSA-N 2 2 271.408 3.152 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885972744 637339464 /nfs/dbraw/zinc/33/94/64/637339464.db2.gz JPTKVWRESPTQLA-KRWDZBQOSA-N 2 2 292.467 3.108 20 30 CGEDLP N#Cc1ccc2cc[nH+]c(NCc3ccccc3C[NH3+])c2c1 ZINC001160906209 806318383 /nfs/dbraw/zinc/31/83/83/806318383.db2.gz OJXOKESOJBJRIF-UHFFFAOYSA-N 2 2 288.354 3.177 20 30 CGEDLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(C)(C)C#N)cc1 ZINC000348216330 799302522 /nfs/dbraw/zinc/30/25/22/799302522.db2.gz ACSBAZJLSDCOSC-ZDUSSCGKSA-N 2 2 282.391 3.381 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398038976 799525847 /nfs/dbraw/zinc/52/58/47/799525847.db2.gz RAUIRGBXMFZUHX-JQHSSLGASA-N 2 2 285.435 3.179 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398038976 799525851 /nfs/dbraw/zinc/52/58/51/799525851.db2.gz RAUIRGBXMFZUHX-JQHSSLGASA-N 2 2 285.435 3.179 20 30 CGEDLP C=C(C)COc1ccccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001138662995 803997746 /nfs/dbraw/zinc/99/77/46/803997746.db2.gz KLFSBBHVWZCTAC-UHFFFAOYSA-N 2 2 288.435 3.168 20 30 CGEDLP C=C(C)COc1ccccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001138662995 803997754 /nfs/dbraw/zinc/99/77/54/803997754.db2.gz KLFSBBHVWZCTAC-UHFFFAOYSA-N 2 2 288.435 3.168 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[NH2+][C@@]1(C)CC[NH2+]C1 ZINC001245989341 804096148 /nfs/dbraw/zinc/09/61/48/804096148.db2.gz GKCVYMSQIKWACL-IRXDYDNUSA-N 2 2 284.488 3.220 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[NH2+][C@]1(C)CC[NH2+]C1 ZINC001245989331 804096363 /nfs/dbraw/zinc/09/63/63/804096363.db2.gz GKCVYMSQIKWACL-DLBZAZTESA-N 2 2 284.488 3.220 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246004337 804098983 /nfs/dbraw/zinc/09/89/83/804098983.db2.gz OSVQMVULCHDDNG-JKSUJKDBSA-N 2 2 284.488 3.076 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[NH+]1CC2(C1)CC[NH2+]C2 ZINC001246026995 804100533 /nfs/dbraw/zinc/10/05/33/804100533.db2.gz WSYCLHOWBCSCGA-KRWDZBQOSA-N 2 2 296.499 3.173 20 30 CGEDLP CCCCCCC[C@H](CCC)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC001246091558 804123362 /nfs/dbraw/zinc/12/33/62/804123362.db2.gz DIQZOXGNAFCDTG-JKSUJKDBSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCCC[C@H](CCC)[NH2+][C@@H]1COC[C@@H]1[NH3+] ZINC001246118697 804151389 /nfs/dbraw/zinc/15/13/89/804151389.db2.gz AKZCOCUDNBVCBK-HRCADAONSA-N 2 2 270.461 3.221 20 30 CGEDLP CCCC[N@H+](CCC#N)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246770947 804503352 /nfs/dbraw/zinc/50/33/52/804503352.db2.gz SZLYKIICXSQMHL-RTBURBONSA-N 2 2 299.462 3.365 20 30 CGEDLP CCCC[N@@H+](CCC#N)[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246770947 804503356 /nfs/dbraw/zinc/50/33/56/804503356.db2.gz SZLYKIICXSQMHL-RTBURBONSA-N 2 2 299.462 3.365 20 30 CGEDLP N#CCC1CCC([N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246978510 804625635 /nfs/dbraw/zinc/62/56/35/804625635.db2.gz LDADURXTBJCZGQ-VMWRSERWSA-N 2 2 289.467 3.455 20 30 CGEDLP N#CCC1CCC([N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246978510 804625640 /nfs/dbraw/zinc/62/56/40/804625640.db2.gz LDADURXTBJCZGQ-VMWRSERWSA-N 2 2 289.467 3.455 20 30 CGEDLP C=C1C[C@@H]2CC(n3c[nH+]c(C)c3CC[NH3+])C[C@H](C1)C2 ZINC001257886609 807237392 /nfs/dbraw/zinc/23/73/92/807237392.db2.gz JXTQNOCPZOQFPY-YIONKMFJSA-N 2 2 259.397 3.000 20 30 CGEDLP C[C@@H]1CC([NH2+]CC2(C#N)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168018775 807301085 /nfs/dbraw/zinc/30/10/85/807301085.db2.gz DLIKIZJVFPOSQM-HZPDHXFCSA-N 2 2 297.446 3.321 20 30 CGEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccc(C#N)cc3)CC1)C2 ZINC001172109244 808177775 /nfs/dbraw/zinc/17/77/75/808177775.db2.gz IXAOKJAXJVGTSS-NNZMDNLPSA-N 2 2 295.430 3.152 20 30 CGEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]C1(c3ccc(C#N)cc3)CC1)C2 ZINC001172109244 808177777 /nfs/dbraw/zinc/17/77/77/808177777.db2.gz IXAOKJAXJVGTSS-NNZMDNLPSA-N 2 2 295.430 3.152 20 30 CGEDLP CCCCCCCC[C@@H](CCC)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001173308474 808604506 /nfs/dbraw/zinc/60/45/06/808604506.db2.gz AKZCOCUDNBVCBK-BZUAXINKSA-N 2 2 270.461 3.221 20 30 CGEDLP C=CCCCC[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001274975175 808896775 /nfs/dbraw/zinc/89/67/75/808896775.db2.gz XKWACZJFEQENBK-UHFFFAOYSA-N 2 2 262.441 3.293 20 30 CGEDLP C=CCCCC[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001274975175 808896779 /nfs/dbraw/zinc/89/67/79/808896779.db2.gz XKWACZJFEQENBK-UHFFFAOYSA-N 2 2 262.441 3.293 20 30 CGEDLP CCCCCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201840200 811969422 /nfs/dbraw/zinc/96/94/22/811969422.db2.gz OSMGGCMHCAOFLO-HZPDHXFCSA-N 2 2 252.446 3.373 20 30 CGEDLP CCCCCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201840200 811969423 /nfs/dbraw/zinc/96/94/23/811969423.db2.gz OSMGGCMHCAOFLO-HZPDHXFCSA-N 2 2 252.446 3.373 20 30 CGEDLP CCCCCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201840200 811969424 /nfs/dbraw/zinc/96/94/24/811969424.db2.gz OSMGGCMHCAOFLO-HZPDHXFCSA-N 2 2 252.446 3.373 20 30 CGEDLP CCCCCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201840200 811969425 /nfs/dbraw/zinc/96/94/25/811969425.db2.gz OSMGGCMHCAOFLO-HZPDHXFCSA-N 2 2 252.446 3.373 20 30 CGEDLP CCCCCCCCC[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001235129468 819013436 /nfs/dbraw/zinc/01/34/36/819013436.db2.gz OCSSTUZNDOUDIT-UHFFFAOYSA-N 2 2 282.472 3.191 20 30 CGEDLP CCCCCCCCC[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001235129468 819013438 /nfs/dbraw/zinc/01/34/38/819013438.db2.gz OCSSTUZNDOUDIT-UHFFFAOYSA-N 2 2 282.472 3.191 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@@H+](CC)[C@H]2CCC[NH2+]C2)CC1 ZINC001236003714 819269361 /nfs/dbraw/zinc/26/93/61/819269361.db2.gz AJRYNCQBJJFMHI-SJORKVTESA-N 2 2 262.441 3.363 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@H+](CC)[C@H]2CCC[NH2+]C2)CC1 ZINC001236003714 819269366 /nfs/dbraw/zinc/26/93/66/819269366.db2.gz AJRYNCQBJJFMHI-SJORKVTESA-N 2 2 262.441 3.363 20 30 CGEDLP C#Cc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001144568374 928198276 /nfs/dbraw/zinc/19/82/76/928198276.db2.gz SJNZNYYGHXOHQK-UHFFFAOYSA-N 2 2 292.382 3.106 20 30 CGEDLP C=CC[C@H]1CC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000651676243 398267372 /nfs/dbraw/zinc/26/73/72/398267372.db2.gz TUJUKUTXVHHPGG-LSDHHAIUSA-N 2 2 273.424 3.096 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000651797316 398289895 /nfs/dbraw/zinc/28/98/95/398289895.db2.gz JYBXLHLWHMHCCF-ZIAGYGMSSA-N 2 2 259.397 3.054 20 30 CGEDLP CC(C)(C#N)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592507133 346993723 /nfs/dbraw/zinc/99/37/23/346993723.db2.gz HPRLCUMTRHTKJP-KRWDZBQOSA-N 2 2 297.446 3.323 20 30 CGEDLP CC(C)(C#N)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592507133 346993727 /nfs/dbraw/zinc/99/37/27/346993727.db2.gz HPRLCUMTRHTKJP-KRWDZBQOSA-N 2 2 297.446 3.323 20 30 CGEDLP CC1(C)C[C@H]([NH2+]CCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000090184904 345785396 /nfs/dbraw/zinc/78/53/96/345785396.db2.gz OKODYKZVZOHVIB-KRWDZBQOSA-N 2 2 285.435 3.323 20 30 CGEDLP CC1(C)C[C@H]([NH2+]CCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000090184904 345785399 /nfs/dbraw/zinc/78/53/99/345785399.db2.gz OKODYKZVZOHVIB-KRWDZBQOSA-N 2 2 285.435 3.323 20 30 CGEDLP CC(C)(CCC#N)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000174265027 346240790 /nfs/dbraw/zinc/24/07/90/346240790.db2.gz HOPNYTBHZCZBIY-UHFFFAOYSA-N 2 2 296.418 3.351 20 30 CGEDLP N#CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000297289601 346434740 /nfs/dbraw/zinc/43/47/40/346434740.db2.gz AIEVAAOEJQDALO-SFHVURJKSA-N 2 2 283.419 3.248 20 30 CGEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000624077764 349965434 /nfs/dbraw/zinc/96/54/34/349965434.db2.gz AMQAAIFGNBDHSK-GOEBONIOSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000624077764 349965438 /nfs/dbraw/zinc/96/54/38/349965438.db2.gz AMQAAIFGNBDHSK-GOEBONIOSA-N 2 2 250.430 3.338 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]1C ZINC000593696011 347104524 /nfs/dbraw/zinc/10/45/24/347104524.db2.gz YFPOZKMQAWEBSA-VCBZYWHSSA-N 2 2 297.446 3.157 20 30 CGEDLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000595051908 347269993 /nfs/dbraw/zinc/26/99/93/347269993.db2.gz XCBQGNDMPVJLJX-SJORKVTESA-N 2 2 285.435 3.472 20 30 CGEDLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000595051908 347269996 /nfs/dbraw/zinc/26/99/96/347269996.db2.gz XCBQGNDMPVJLJX-SJORKVTESA-N 2 2 285.435 3.472 20 30 CGEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000595052792 347270267 /nfs/dbraw/zinc/27/02/67/347270267.db2.gz ABTHLEFJMICXBI-WMZOPIPTSA-N 2 2 297.446 3.398 20 30 CGEDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000595052792 347270268 /nfs/dbraw/zinc/27/02/68/347270268.db2.gz ABTHLEFJMICXBI-WMZOPIPTSA-N 2 2 297.446 3.398 20 30 CGEDLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595057215 347272528 /nfs/dbraw/zinc/27/25/28/347272528.db2.gz VGPXNYAIWGFCHT-SJLPKXTDSA-N 2 2 297.446 3.398 20 30 CGEDLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595057215 347272531 /nfs/dbraw/zinc/27/25/31/347272531.db2.gz VGPXNYAIWGFCHT-SJLPKXTDSA-N 2 2 297.446 3.398 20 30 CGEDLP N#CC1(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CCCCC1 ZINC000596652297 347498285 /nfs/dbraw/zinc/49/82/85/347498285.db2.gz PDZZPRPMBDZHGR-HOTGVXAUSA-N 2 2 269.392 3.195 20 30 CGEDLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@](C)(C#N)C1 ZINC000597231702 347560161 /nfs/dbraw/zinc/56/01/61/347560161.db2.gz ZYWJLUMMPSEOCS-LJQANCHMSA-N 2 2 299.462 3.380 20 30 CGEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@](C)(C#N)C1 ZINC000597231702 347560164 /nfs/dbraw/zinc/56/01/64/347560164.db2.gz ZYWJLUMMPSEOCS-LJQANCHMSA-N 2 2 299.462 3.380 20 30 CGEDLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597231702 347560166 /nfs/dbraw/zinc/56/01/66/347560166.db2.gz ZYWJLUMMPSEOCS-LJQANCHMSA-N 2 2 299.462 3.380 20 30 CGEDLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597231702 347560167 /nfs/dbraw/zinc/56/01/67/347560167.db2.gz ZYWJLUMMPSEOCS-LJQANCHMSA-N 2 2 299.462 3.380 20 30 CGEDLP N#CC1CCC([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000602505866 347972119 /nfs/dbraw/zinc/97/21/19/347972119.db2.gz WKCAZOJQGGRZJL-KVZIAJEVSA-N 2 2 297.446 3.495 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000602568280 347984254 /nfs/dbraw/zinc/98/42/54/347984254.db2.gz IPSSBONOZCAYMA-SOLBZPMBSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000602568280 347984257 /nfs/dbraw/zinc/98/42/57/347984257.db2.gz IPSSBONOZCAYMA-SOLBZPMBSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609823366 348354736 /nfs/dbraw/zinc/35/47/36/348354736.db2.gz ADUIIVMRIZFAAX-WMLDXEAASA-N 2 2 280.375 3.153 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000614962863 348703145 /nfs/dbraw/zinc/70/31/45/348703145.db2.gz KBKCFMGMLPXXAO-RHSMWYFYSA-N 2 2 280.375 3.153 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000614962863 348703150 /nfs/dbraw/zinc/70/31/50/348703150.db2.gz KBKCFMGMLPXXAO-RHSMWYFYSA-N 2 2 280.375 3.153 20 30 CGEDLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000177860067 189074970 /nfs/dbraw/zinc/07/49/70/189074970.db2.gz PYHXNHHLHCYGOR-UHFFFAOYSA-N 2 2 289.398 3.050 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCC=C(C)C)CC1 ZINC000177907144 189078497 /nfs/dbraw/zinc/07/84/97/189078497.db2.gz QYDWLEHENPQGBY-HNNXBMFYSA-N 2 2 250.430 3.361 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2sccc2C)CC1 ZINC000177908429 189078564 /nfs/dbraw/zinc/07/85/64/189078564.db2.gz RMLAGRJDVOMFFT-ZDUSSCGKSA-N 2 2 264.438 3.358 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC000177911910 189078843 /nfs/dbraw/zinc/07/88/43/189078843.db2.gz OUTMYQCILNAWJS-ZDUSSCGKSA-N 2 2 262.372 3.127 20 30 CGEDLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000181557156 189300193 /nfs/dbraw/zinc/30/01/93/189300193.db2.gz NUCBYRIVFULZET-MRXNPFEDSA-N 2 2 293.414 3.341 20 30 CGEDLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000181557156 189300194 /nfs/dbraw/zinc/30/01/94/189300194.db2.gz NUCBYRIVFULZET-MRXNPFEDSA-N 2 2 293.414 3.341 20 30 CGEDLP CCC(CC)C[N@H+](CCC#N)CC[C@H]1CCC[NH+]1C ZINC000124935305 370929562 /nfs/dbraw/zinc/92/95/62/370929562.db2.gz QNPFJQSIMXLHBM-MRXNPFEDSA-N 2 2 265.445 3.123 20 30 CGEDLP CCC(CC)C[N@@H+](CCC#N)CC[C@H]1CCC[NH+]1C ZINC000124935305 370929564 /nfs/dbraw/zinc/92/95/64/370929564.db2.gz QNPFJQSIMXLHBM-MRXNPFEDSA-N 2 2 265.445 3.123 20 30 CGEDLP CCC(CC)C[NH+](CCC#N)CC[C@H]1CCC[N@@H+]1C ZINC000124935305 370929567 /nfs/dbraw/zinc/92/95/67/370929567.db2.gz QNPFJQSIMXLHBM-MRXNPFEDSA-N 2 2 265.445 3.123 20 30 CGEDLP CCC(CC)C[NH+](CCC#N)CC[C@H]1CCC[N@H+]1C ZINC000124935305 370929569 /nfs/dbraw/zinc/92/95/69/370929569.db2.gz QNPFJQSIMXLHBM-MRXNPFEDSA-N 2 2 265.445 3.123 20 30 CGEDLP C=CCC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccco1 ZINC000276475760 193346586 /nfs/dbraw/zinc/34/65/86/193346586.db2.gz QPHVPWDCCLRYOY-AWEZNQCLSA-N 2 2 259.353 3.163 20 30 CGEDLP C=CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644291 370151466 /nfs/dbraw/zinc/15/14/66/370151466.db2.gz WKVHWKWSVGIJNV-NVXWUHKLSA-N 2 2 288.435 3.166 20 30 CGEDLP C=CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644291 370151470 /nfs/dbraw/zinc/15/14/70/370151470.db2.gz WKVHWKWSVGIJNV-NVXWUHKLSA-N 2 2 288.435 3.166 20 30 CGEDLP C=CCOc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644291 370151472 /nfs/dbraw/zinc/15/14/72/370151472.db2.gz WKVHWKWSVGIJNV-NVXWUHKLSA-N 2 2 288.435 3.166 20 30 CGEDLP C=CCOc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644291 370151476 /nfs/dbraw/zinc/15/14/76/370151476.db2.gz WKVHWKWSVGIJNV-NVXWUHKLSA-N 2 2 288.435 3.166 20 30 CGEDLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(C#N)cc1F ZINC000423177621 372006361 /nfs/dbraw/zinc/00/63/61/372006361.db2.gz JDUPVCDRXREJHC-LBPRGKRZSA-N 2 2 275.371 3.010 20 30 CGEDLP C=CC[C@H]1[N@H+](Cc2c[nH+]c(N(C)C)n2C)CCCC1(C)C ZINC000425337727 372122646 /nfs/dbraw/zinc/12/26/46/372122646.db2.gz NRBANSYHPWOOCJ-OAHLLOKOSA-N 2 2 290.455 3.053 20 30 CGEDLP C=CC[C@H]1[N@@H+](Cc2c[nH+]c(N(C)C)n2C)CCCC1(C)C ZINC000425337727 372122647 /nfs/dbraw/zinc/12/26/47/372122647.db2.gz NRBANSYHPWOOCJ-OAHLLOKOSA-N 2 2 290.455 3.053 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000295004308 372685959 /nfs/dbraw/zinc/68/59/59/372685959.db2.gz MFXIRGWCWXLXOY-NSHDSACASA-N 2 2 270.829 3.007 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000295004308 372685962 /nfs/dbraw/zinc/68/59/62/372685962.db2.gz MFXIRGWCWXLXOY-NSHDSACASA-N 2 2 270.829 3.007 20 30 CGEDLP CC(C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000442782558 373079837 /nfs/dbraw/zinc/07/98/37/373079837.db2.gz OKPIEGSVYODETO-CRAIPNDOSA-N 2 2 297.446 3.105 20 30 CGEDLP CC(C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000442782558 373079849 /nfs/dbraw/zinc/07/98/49/373079849.db2.gz OKPIEGSVYODETO-CRAIPNDOSA-N 2 2 297.446 3.105 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ncc(C(C)C)s2)CC1 ZINC000183737971 374449683 /nfs/dbraw/zinc/44/96/83/374449683.db2.gz QGEAVLQAYJCSGF-UHFFFAOYSA-N 2 2 293.480 3.397 20 30 CGEDLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185886121 374761381 /nfs/dbraw/zinc/76/13/81/374761381.db2.gz ZXLADAXQYCEQRO-LSDHHAIUSA-N 2 2 296.418 3.178 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000482639608 375171252 /nfs/dbraw/zinc/17/12/52/375171252.db2.gz DXLAYIPONHVUPS-SJORKVTESA-N 2 2 264.457 3.441 20 30 CGEDLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)c(F)c2)CC1 ZINC000192055822 375694221 /nfs/dbraw/zinc/69/42/21/375694221.db2.gz RICCFMAYJLVHMC-UHFFFAOYSA-N 2 2 289.398 3.004 20 30 CGEDLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)c(F)c2)CC1 ZINC000192055822 375694230 /nfs/dbraw/zinc/69/42/30/375694230.db2.gz RICCFMAYJLVHMC-UHFFFAOYSA-N 2 2 289.398 3.004 20 30 CGEDLP N#CCC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000539299365 376302109 /nfs/dbraw/zinc/30/21/09/376302109.db2.gz YQHMXCCAOLQETQ-LJQANCHMSA-N 2 2 297.446 3.495 20 30 CGEDLP C=CCCCCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000566475904 377496698 /nfs/dbraw/zinc/49/66/98/377496698.db2.gz QTEDYONMZXKKKD-UHFFFAOYSA-N 2 2 287.451 3.382 20 30 CGEDLP N#CCC[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000584108420 378376087 /nfs/dbraw/zinc/37/60/87/378376087.db2.gz CMMXCHVECYCVPJ-UHFFFAOYSA-N 2 2 271.408 3.066 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000278315019 379343768 /nfs/dbraw/zinc/34/37/68/379343768.db2.gz UIWAOHNOEBDYIK-KSZLIROESA-N 2 2 283.419 3.226 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000278315019 379343772 /nfs/dbraw/zinc/34/37/72/379343772.db2.gz UIWAOHNOEBDYIK-KSZLIROESA-N 2 2 283.419 3.226 20 30 CGEDLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000278715033 379405412 /nfs/dbraw/zinc/40/54/12/379405412.db2.gz LYCDFFFWPYMULM-OWQGQXMQSA-N 2 2 283.419 3.224 20 30 CGEDLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000278715033 379405419 /nfs/dbraw/zinc/40/54/19/379405419.db2.gz LYCDFFFWPYMULM-OWQGQXMQSA-N 2 2 283.419 3.224 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)[C@H]2CC2(C)C)CC1 ZINC000414131936 380191334 /nfs/dbraw/zinc/19/13/34/380191334.db2.gz YPNSJBNCRNPTBK-CABCVRRESA-N 2 2 250.430 3.051 20 30 CGEDLP C=CC[C@H](CC)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000361441836 381749310 /nfs/dbraw/zinc/74/93/10/381749310.db2.gz DFHSCHLBRHMZOI-LBPRGKRZSA-N 2 2 278.362 3.348 20 30 CGEDLP CC(C)(CCC#N)C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000174308634 392639729 /nfs/dbraw/zinc/63/97/29/392639729.db2.gz PKCMYNRSKXOUNA-UHFFFAOYSA-N 2 2 284.407 3.415 20 30 CGEDLP Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000186309289 392783186 /nfs/dbraw/zinc/78/31/86/392783186.db2.gz KOHSJNJWRUVOQN-KBXCAEBGSA-N 2 2 294.402 3.146 20 30 CGEDLP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000186309289 392783191 /nfs/dbraw/zinc/78/31/91/392783191.db2.gz KOHSJNJWRUVOQN-KBXCAEBGSA-N 2 2 294.402 3.146 20 30 CGEDLP C=C(CC)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337439397 392886939 /nfs/dbraw/zinc/88/69/39/392886939.db2.gz LHYXSMBEKQYBMK-HNNXBMFYSA-N 2 2 273.424 3.365 20 30 CGEDLP C=C(CC)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337439397 392886945 /nfs/dbraw/zinc/88/69/45/392886945.db2.gz LHYXSMBEKQYBMK-HNNXBMFYSA-N 2 2 273.424 3.365 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000648445548 393020467 /nfs/dbraw/zinc/02/04/67/393020467.db2.gz WMUJVDPBBLQFLC-IBGZPJMESA-N 2 2 284.447 3.174 20 30 CGEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678235334 543498974 /nfs/dbraw/zinc/49/89/74/543498974.db2.gz QZFQELUOJBJARH-QGZVFWFLSA-N 2 2 297.402 3.285 20 30 CGEDLP C=CCOc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678235334 543498976 /nfs/dbraw/zinc/49/89/76/543498976.db2.gz QZFQELUOJBJARH-QGZVFWFLSA-N 2 2 297.402 3.285 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCC[C@@H](OC)C1)C(C)C ZINC000684369445 543986979 /nfs/dbraw/zinc/98/69/79/543986979.db2.gz OOQMLSGYLBUIHZ-RCCFBDPRSA-N 2 2 294.483 3.232 20 30 CGEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000657878595 419401811 /nfs/dbraw/zinc/40/18/11/419401811.db2.gz WVELAPWJUFILGA-IXDOHACOSA-N 2 2 262.441 3.195 20 30 CGEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000657878595 419401815 /nfs/dbraw/zinc/40/18/15/419401815.db2.gz WVELAPWJUFILGA-IXDOHACOSA-N 2 2 262.441 3.195 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)C1CC1 ZINC000658055029 419525473 /nfs/dbraw/zinc/52/54/73/419525473.db2.gz HMBPACBLSQVKOF-HUUCEWRRSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)C1CC1 ZINC000658055029 419525479 /nfs/dbraw/zinc/52/54/79/419525479.db2.gz HMBPACBLSQVKOF-HUUCEWRRSA-N 2 2 250.430 3.194 20 30 CGEDLP C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000449082800 261264589 /nfs/dbraw/zinc/26/45/89/261264589.db2.gz PXCDTZZZNPDDQT-NUWOQIAWSA-N 2 2 277.456 3.169 20 30 CGEDLP C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000449082800 261264592 /nfs/dbraw/zinc/26/45/92/261264592.db2.gz PXCDTZZZNPDDQT-NUWOQIAWSA-N 2 2 277.456 3.169 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000192953962 262212536 /nfs/dbraw/zinc/21/25/36/262212536.db2.gz NDUDZBKMKNTMOJ-LULLPPNCSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000192953962 262212537 /nfs/dbraw/zinc/21/25/37/262212537.db2.gz NDUDZBKMKNTMOJ-LULLPPNCSA-N 2 2 297.446 3.321 20 30 CGEDLP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000278159363 263045567 /nfs/dbraw/zinc/04/55/67/263045567.db2.gz BGOFIAJVJSBANY-YJBOKZPZSA-N 2 2 294.402 3.103 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000280980090 264469593 /nfs/dbraw/zinc/46/95/93/264469593.db2.gz LEJAYULHLIAMIX-SFHVURJKSA-N 2 2 286.419 3.010 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000279745447 276894975 /nfs/dbraw/zinc/89/49/75/276894975.db2.gz PJOIBWHIBZSXNC-MAUKXSAKSA-N 2 2 288.435 3.003 20 30 CGEDLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(OCC#N)cc1 ZINC000290565009 328259387 /nfs/dbraw/zinc/25/93/87/328259387.db2.gz ZXBJDYZKYUFAPD-UHFFFAOYSA-N 2 2 295.386 3.015 20 30 CGEDLP C=CCC[C@@H]([NH2+][C@@H](C[NH3+])CCCC)c1ccco1 ZINC000423303822 330189036 /nfs/dbraw/zinc/18/90/36/330189036.db2.gz XOIRLMPUKYPFPN-ZIAGYGMSSA-N 2 2 250.386 3.394 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1CC ZINC000423500204 330208050 /nfs/dbraw/zinc/20/80/50/330208050.db2.gz KEMKEYCPKCSMRR-VBQJREDUSA-N 2 2 260.425 3.439 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[NH+]1CCC(C)CC1)C1CC1 ZINC000439083663 330733593 /nfs/dbraw/zinc/73/35/93/330733593.db2.gz CZSSJOFCHJYSTA-WBVHZDCISA-N 2 2 264.457 3.441 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000453104511 331089650 /nfs/dbraw/zinc/08/96/50/331089650.db2.gz UKQOOOSUTUCELG-MRXNPFEDSA-N 2 2 287.451 3.033 20 30 CGEDLP Cc1[nH+]cc(C[NH2+]CC(C)(C)CC#N)n1-c1ccccc1 ZINC000459731243 331296487 /nfs/dbraw/zinc/29/64/87/331296487.db2.gz NBAAVSNFDLEELI-UHFFFAOYSA-N 2 2 282.391 3.210 20 30 CGEDLP C=C(C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352783802 526881767 /nfs/dbraw/zinc/88/17/67/526881767.db2.gz YVYVAVJXNGYRMI-UHFFFAOYSA-N 2 2 287.432 3.008 20 30 CGEDLP C#CCC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)CCC1 ZINC000933297166 618194070 /nfs/dbraw/zinc/19/40/70/618194070.db2.gz YOSSXQIAJNKXLC-UHFFFAOYSA-N 2 2 279.387 3.216 20 30 CGEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(C#N)cs1 ZINC000093492498 619200806 /nfs/dbraw/zinc/20/08/06/619200806.db2.gz SQVBTHBKQAVVRV-CQSZACIVSA-N 2 2 288.420 3.021 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000924728050 620580164 /nfs/dbraw/zinc/58/01/64/620580164.db2.gz DPRKAKIAOURNSJ-KGLIPLIRSA-N 2 2 276.428 3.216 20 30 CGEDLP C=CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C(C)C ZINC000753536903 626454315 /nfs/dbraw/zinc/45/43/15/626454315.db2.gz PYDKAQAAHPWTQC-UHFFFAOYSA-N 2 2 261.394 3.330 20 30 CGEDLP C=CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C(C)C ZINC000753536903 626454317 /nfs/dbraw/zinc/45/43/17/626454317.db2.gz PYDKAQAAHPWTQC-UHFFFAOYSA-N 2 2 261.394 3.330 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939482 632239234 /nfs/dbraw/zinc/23/92/34/632239234.db2.gz BRBDMJNULJEAPD-YJBOKZPZSA-N 2 2 289.467 3.477 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000866561959 633193104 /nfs/dbraw/zinc/19/31/04/633193104.db2.gz MQPMZTOZVZXNPH-SOLBZPMBSA-N 2 2 289.467 3.455 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000866561959 633193109 /nfs/dbraw/zinc/19/31/09/633193109.db2.gz MQPMZTOZVZXNPH-SOLBZPMBSA-N 2 2 289.467 3.455 20 30 CGEDLP C=C(CC)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000825221736 633336499 /nfs/dbraw/zinc/33/64/99/633336499.db2.gz XJXSPHWZBIACJB-UHFFFAOYSA-N 2 2 287.451 3.277 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840894157 635077354 /nfs/dbraw/zinc/07/73/54/635077354.db2.gz OKIDWKFLOCHSOL-UHFFFAOYSA-N 2 2 294.826 3.094 20 30 CGEDLP C=CCC[C@H](Cc1ccccc1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000883172089 636565785 /nfs/dbraw/zinc/56/57/85/636565785.db2.gz UNXSHSFVQIIMQY-SJLPKXTDSA-N 2 2 283.419 3.439 20 30 CGEDLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000886720172 637673301 /nfs/dbraw/zinc/67/33/01/637673301.db2.gz VHPWMJUTACPLQX-UHFFFAOYSA-N 2 2 297.446 3.317 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000328273226 799251389 /nfs/dbraw/zinc/25/13/89/799251389.db2.gz NYGOERAUKWURGL-HNNXBMFYSA-N 2 2 296.414 3.151 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000328273226 799251392 /nfs/dbraw/zinc/25/13/92/799251392.db2.gz NYGOERAUKWURGL-HNNXBMFYSA-N 2 2 296.414 3.151 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398038975 799525218 /nfs/dbraw/zinc/52/52/18/799525218.db2.gz RAUIRGBXMFZUHX-CGTJXYLNSA-N 2 2 285.435 3.179 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398038975 799525222 /nfs/dbraw/zinc/52/52/22/799525222.db2.gz RAUIRGBXMFZUHX-CGTJXYLNSA-N 2 2 285.435 3.179 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC001245996549 804094698 /nfs/dbraw/zinc/09/46/98/804094698.db2.gz VSQGAORGRXNDPB-ROUUACIJSA-N 2 2 292.467 3.388 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1C[NH2+]C[C@H]2C[C@H]21 ZINC001246017395 804099401 /nfs/dbraw/zinc/09/94/01/804099401.db2.gz YXCRDRUUMDRRBL-XMTFNYHQSA-N 2 2 296.499 3.076 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246024629 804100656 /nfs/dbraw/zinc/10/06/56/804100656.db2.gz PHJFEDXNLZOTMD-QZTJIDSGSA-N 2 2 294.483 3.092 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246024629 804100660 /nfs/dbraw/zinc/10/06/60/804100660.db2.gz PHJFEDXNLZOTMD-QZTJIDSGSA-N 2 2 294.483 3.092 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246025011 804100829 /nfs/dbraw/zinc/10/08/29/804100829.db2.gz KBVPMFOHNLZDQU-MSOLQXFVSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246025011 804100834 /nfs/dbraw/zinc/10/08/34/804100834.db2.gz KBVPMFOHNLZDQU-MSOLQXFVSA-N 2 2 296.499 3.316 20 30 CGEDLP N#CC1CCC(n2c[nH+]cc2-c2ccc(C[NH3+])cc2)CC1 ZINC001256963878 807017201 /nfs/dbraw/zinc/01/72/01/807017201.db2.gz ROFCPEZNUQWHCG-UHFFFAOYSA-N 2 2 280.375 3.264 20 30 CGEDLP C=CCC[C@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001258735927 807582253 /nfs/dbraw/zinc/58/22/53/807582253.db2.gz GCDGDVHWZWYQAK-GJZGRUSLSA-N 2 2 260.381 3.198 20 30 CGEDLP C=CCC[C@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001258735927 807582256 /nfs/dbraw/zinc/58/22/56/807582256.db2.gz GCDGDVHWZWYQAK-GJZGRUSLSA-N 2 2 260.381 3.198 20 30 CGEDLP CC[NH+](CC)C1CCC([NH2+]C2(C#N)CCCCC2)CC1 ZINC001173103949 808511035 /nfs/dbraw/zinc/51/10/35/808511035.db2.gz XKHWWJRRPPGPBK-UHFFFAOYSA-N 2 2 277.456 3.455 20 30 CGEDLP CC[NH+](CC)C1CCC([NH2+]C(C#N)(CC)CC)CC1 ZINC001173110391 808514001 /nfs/dbraw/zinc/51/40/01/808514001.db2.gz NFWDDEHUOUESEZ-UHFFFAOYSA-N 2 2 265.445 3.311 20 30 CGEDLP C=C(CC)C[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001182356642 810107395 /nfs/dbraw/zinc/10/73/95/810107395.db2.gz MOTWIDMLIZKYCO-FUHWJXTLSA-N 2 2 272.436 3.453 20 30 CGEDLP C=C(CC)C[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001182356642 810107397 /nfs/dbraw/zinc/10/73/97/810107397.db2.gz MOTWIDMLIZKYCO-FUHWJXTLSA-N 2 2 272.436 3.453 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001473998993 937834513 /nfs/dbraw/zinc/83/45/13/937834513.db2.gz HLFWNTHQCLZZEM-PMPSAXMXSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001473998993 937834512 /nfs/dbraw/zinc/83/45/12/937834512.db2.gz HLFWNTHQCLZZEM-PMPSAXMXSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000651716075 398274153 /nfs/dbraw/zinc/27/41/53/398274153.db2.gz KFXWJQOTFXTLBP-HZPDHXFCSA-N 2 2 294.483 3.210 20 30 CGEDLP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1F)[NH+]1CCCCC1 ZINC000273159231 192061764 /nfs/dbraw/zinc/06/17/64/192061764.db2.gz SYNFOOLBZSTDRX-CQSZACIVSA-N 2 2 289.398 3.051 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000623729138 349872074 /nfs/dbraw/zinc/87/20/74/349872074.db2.gz QFQUNJWXEGUXSG-INMHGKMJSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000623729138 349872078 /nfs/dbraw/zinc/87/20/78/349872078.db2.gz QFQUNJWXEGUXSG-INMHGKMJSA-N 2 2 262.441 3.338 20 30 CGEDLP N#CCCCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370015883 346551241 /nfs/dbraw/zinc/55/12/41/346551241.db2.gz BCNJQRGMSIJMTO-OAHLLOKOSA-N 2 2 286.423 3.093 20 30 CGEDLP N#CCCCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370015883 346551243 /nfs/dbraw/zinc/55/12/43/346551243.db2.gz BCNJQRGMSIJMTO-OAHLLOKOSA-N 2 2 286.423 3.093 20 30 CGEDLP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593692308 347103959 /nfs/dbraw/zinc/10/39/59/347103959.db2.gz APKSBQPXRBFORO-HNAYVOBHSA-N 2 2 297.446 3.301 20 30 CGEDLP CCC(CC)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593701965 347105334 /nfs/dbraw/zinc/10/53/34/347105334.db2.gz IYSYSTGITNUONA-UHFFFAOYSA-N 2 2 285.435 3.301 20 30 CGEDLP CC1(C#N)CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000594518645 347187223 /nfs/dbraw/zinc/18/72/23/347187223.db2.gz IRNBADZXSGNGBO-GMRIPVOYSA-N 2 2 275.440 3.065 20 30 CGEDLP CC1(C#N)CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000594518645 347187227 /nfs/dbraw/zinc/18/72/27/347187227.db2.gz IRNBADZXSGNGBO-GMRIPVOYSA-N 2 2 275.440 3.065 20 30 CGEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594969680 347245458 /nfs/dbraw/zinc/24/54/58/347245458.db2.gz ZFZKZAJWIBHGCA-KRWDZBQOSA-N 2 2 299.462 3.450 20 30 CGEDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594969680 347245462 /nfs/dbraw/zinc/24/54/62/347245462.db2.gz ZFZKZAJWIBHGCA-KRWDZBQOSA-N 2 2 299.462 3.450 20 30 CGEDLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000595050622 347269477 /nfs/dbraw/zinc/26/94/77/347269477.db2.gz SSNBWSQGBWMMKJ-DOTOQJQBSA-N 2 2 283.419 3.008 20 30 CGEDLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000595050622 347269481 /nfs/dbraw/zinc/26/94/81/347269481.db2.gz SSNBWSQGBWMMKJ-DOTOQJQBSA-N 2 2 283.419 3.008 20 30 CGEDLP C=CC[C@H]1CC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000625701890 350199866 /nfs/dbraw/zinc/19/98/66/350199866.db2.gz LYCUTKSZKPQBTH-JKSUJKDBSA-N 2 2 250.430 3.147 20 30 CGEDLP C=CC[C@H]1CC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000625701890 350199868 /nfs/dbraw/zinc/19/98/68/350199868.db2.gz LYCUTKSZKPQBTH-JKSUJKDBSA-N 2 2 250.430 3.147 20 30 CGEDLP C=CC[C@H]1CC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000625701890 350199870 /nfs/dbraw/zinc/19/98/70/350199870.db2.gz LYCUTKSZKPQBTH-JKSUJKDBSA-N 2 2 250.430 3.147 20 30 CGEDLP C=CC[C@H]1CC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000625701890 350199874 /nfs/dbraw/zinc/19/98/74/350199874.db2.gz LYCUTKSZKPQBTH-JKSUJKDBSA-N 2 2 250.430 3.147 20 30 CGEDLP C=CC[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000625705655 350201155 /nfs/dbraw/zinc/20/11/55/350201155.db2.gz WYXILKQIJFRGRB-HNNXBMFYSA-N 2 2 267.376 3.270 20 30 CGEDLP C=CC[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000625705655 350201158 /nfs/dbraw/zinc/20/11/58/350201158.db2.gz WYXILKQIJFRGRB-HNNXBMFYSA-N 2 2 267.376 3.270 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccccc2)CC1 ZINC000177906349 189078569 /nfs/dbraw/zinc/07/85/69/189078569.db2.gz LMOKIKRCHDUWPD-KRWDZBQOSA-N 2 2 258.409 3.378 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000177906961 189078659 /nfs/dbraw/zinc/07/86/59/189078659.db2.gz FFPZUCJTNDSNAT-OAHLLOKOSA-N 2 2 284.447 3.476 20 30 CGEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(C#N)c(C)c1)CCC2 ZINC000331829268 204212866 /nfs/dbraw/zinc/21/28/66/204212866.db2.gz XKYBIWSXRDWKMK-QGZVFWFLSA-N 2 2 294.402 3.039 20 30 CGEDLP Clc1ccccc1C#CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000441268619 373000200 /nfs/dbraw/zinc/00/02/00/373000200.db2.gz YHTZLGMFTDBMLG-HNNXBMFYSA-N 2 2 299.805 3.294 20 30 CGEDLP Clc1ccccc1C#CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000441268619 373000209 /nfs/dbraw/zinc/00/02/09/373000209.db2.gz YHTZLGMFTDBMLG-HNNXBMFYSA-N 2 2 299.805 3.294 20 30 CGEDLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442784291 373080193 /nfs/dbraw/zinc/08/01/93/373080193.db2.gz RWWHJYRVPYIHDO-UXLLHSPISA-N 2 2 285.435 3.398 20 30 CGEDLP N#C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000442892841 373123191 /nfs/dbraw/zinc/12/31/91/373123191.db2.gz WKJIRGVZVLURBW-SJORKVTESA-N 2 2 289.467 3.315 20 30 CGEDLP C[NH+](C)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)Cc1ccccc1 ZINC000449062268 373659618 /nfs/dbraw/zinc/65/96/18/373659618.db2.gz KVSSCVFXBRYSHU-XBMUEBEBSA-N 2 2 299.462 3.221 20 30 CGEDLP Oc1ccccc1/C=[NH+]/CC1CCN(c2cc[nH+]cc2)CC1 ZINC000179703928 373907259 /nfs/dbraw/zinc/90/72/59/373907259.db2.gz VUSSBOBYFVQZEL-XSFVSMFZSA-N 2 2 295.386 3.123 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCC)c2cccnc2)CC1 ZINC000185383528 374652436 /nfs/dbraw/zinc/65/24/36/374652436.db2.gz NOJGWKUIVMLZIN-KRWDZBQOSA-N 2 2 273.424 3.163 20 30 CGEDLP C[C@@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000185831347 374746294 /nfs/dbraw/zinc/74/62/94/374746294.db2.gz DQMCTKJMFKHNFA-SZMVWBNQSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000185831347 374746299 /nfs/dbraw/zinc/74/62/99/374746299.db2.gz DQMCTKJMFKHNFA-SZMVWBNQSA-N 2 2 285.435 3.179 20 30 CGEDLP C=CCCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000471586860 375003574 /nfs/dbraw/zinc/00/35/74/375003574.db2.gz SARDPRNJNWTAIA-WMZOPIPTSA-N 2 2 272.436 3.453 20 30 CGEDLP C=CCCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000471586860 375003583 /nfs/dbraw/zinc/00/35/83/375003583.db2.gz SARDPRNJNWTAIA-WMZOPIPTSA-N 2 2 272.436 3.453 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000187589369 375050434 /nfs/dbraw/zinc/05/04/34/375050434.db2.gz OFXCVRMARMRWQL-HNNXBMFYSA-N 2 2 283.419 3.179 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000156307482 542127939 /nfs/dbraw/zinc/12/79/39/542127939.db2.gz QHAMDFAMDQWGFD-DZGCQCFKSA-N 2 2 271.408 3.376 20 30 CGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCCC#N)C1 ZINC000246466756 377035378 /nfs/dbraw/zinc/03/53/78/377035378.db2.gz ZHOGMAYJSMYYOB-NVXWUHKLSA-N 2 2 271.408 3.105 20 30 CGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCCC#N)C1 ZINC000246466756 377035393 /nfs/dbraw/zinc/03/53/93/377035393.db2.gz ZHOGMAYJSMYYOB-NVXWUHKLSA-N 2 2 271.408 3.105 20 30 CGEDLP Cc1c[nH+]ccc1CCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000269998200 378292368 /nfs/dbraw/zinc/29/23/68/378292368.db2.gz XCKSNOABVQJROQ-UHFFFAOYSA-N 2 2 296.418 3.483 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583935148 378360054 /nfs/dbraw/zinc/36/00/54/378360054.db2.gz RWJQEISCQWNIAG-MSOLQXFVSA-N 2 2 297.446 3.465 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583935148 378360061 /nfs/dbraw/zinc/36/00/61/378360061.db2.gz RWJQEISCQWNIAG-MSOLQXFVSA-N 2 2 297.446 3.465 20 30 CGEDLP CC#CCC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280297285 379667880 /nfs/dbraw/zinc/66/78/80/379667880.db2.gz VENGFKNSCRBYSD-UHFFFAOYSA-N 2 2 281.403 3.395 20 30 CGEDLP C=CC[NH+]1CCC(Nc2cc(C(F)(F)F)cc[nH+]2)CC1 ZINC000267382577 190325418 /nfs/dbraw/zinc/32/54/18/190325418.db2.gz LQDKMDQPPKBQLR-UHFFFAOYSA-N 2 2 285.313 3.163 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(SC)o2)CC1 ZINC000641718953 380060722 /nfs/dbraw/zinc/06/07/22/380060722.db2.gz GLLYXKJNOAOHCR-UHFFFAOYSA-N 2 2 280.437 3.132 20 30 CGEDLP C[C@H]1C[C@@H]([NH+](C)CC#Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000154297965 392535540 /nfs/dbraw/zinc/53/55/40/392535540.db2.gz NKFJILQXFUOAIX-YOEHRIQHSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@H]1C[C@@H]([NH+](C)CC#Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000154297965 392535541 /nfs/dbraw/zinc/53/55/41/392535541.db2.gz NKFJILQXFUOAIX-YOEHRIQHSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@H]1C[C@@H]([N@H+](C)CC#Cc2cccc(Cl)c2)CC[NH+]1C ZINC000154297965 392535544 /nfs/dbraw/zinc/53/55/44/392535544.db2.gz NKFJILQXFUOAIX-YOEHRIQHSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@H]1C[C@@H]([N@@H+](C)CC#Cc2cccc(Cl)c2)CC[NH+]1C ZINC000154297965 392535547 /nfs/dbraw/zinc/53/55/47/392535547.db2.gz NKFJILQXFUOAIX-YOEHRIQHSA-N 2 2 290.838 3.106 20 30 CGEDLP C=CCC[C@@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364114 392707709 /nfs/dbraw/zinc/70/77/09/392707709.db2.gz SACVOHSWXBQYSM-CYBMUJFWSA-N 2 2 257.381 3.130 20 30 CGEDLP Cc1[nH+]cc(C[NH2+][C@H](CCCC#N)c2ccccc2)n1C ZINC000569020822 393195925 /nfs/dbraw/zinc/19/59/25/393195925.db2.gz HJYGCZIRZLSONF-QGZVFWFLSA-N 2 2 282.391 3.253 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2nc(C)sc2C)CC1 ZINC000676490965 543399512 /nfs/dbraw/zinc/39/95/12/543399512.db2.gz VWVKDEWNDLXLIM-GFCCVEGCSA-N 2 2 293.480 3.451 20 30 CGEDLP C=CCCC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCCC1 ZINC000657567018 419307302 /nfs/dbraw/zinc/30/73/02/419307302.db2.gz HPZHFZLSQNDCIY-UHFFFAOYSA-N 2 2 273.424 3.446 20 30 CGEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CC=C)CC1 ZINC000657874899 419397960 /nfs/dbraw/zinc/39/79/60/419397960.db2.gz CHTOYXCWZPWPFL-DOTOQJQBSA-N 2 2 262.441 3.361 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000278159352 263045689 /nfs/dbraw/zinc/04/56/89/263045689.db2.gz BGOFIAJVJSBANY-CRAIPNDOSA-N 2 2 294.402 3.103 20 30 CGEDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000528010836 270151168 /nfs/dbraw/zinc/15/11/68/270151168.db2.gz KBPXNILNRIQHMY-KSSFIOAISA-N 2 2 283.419 3.226 20 30 CGEDLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000528010836 270151169 /nfs/dbraw/zinc/15/11/69/270151169.db2.gz KBPXNILNRIQHMY-KSSFIOAISA-N 2 2 283.419 3.226 20 30 CGEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000331762729 274824015 /nfs/dbraw/zinc/82/40/15/274824015.db2.gz FLJKKIZJENYOCO-RHSMWYFYSA-N 2 2 294.402 3.291 20 30 CGEDLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449130021 327029689 /nfs/dbraw/zinc/02/96/89/327029689.db2.gz FKVZRCRXICAKQS-PCKAHOCUSA-N 2 2 265.445 3.025 20 30 CGEDLP C=CCOc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000353134358 328854054 /nfs/dbraw/zinc/85/40/54/328854054.db2.gz HBLCJSFZZGAJGU-UHFFFAOYSA-N 2 2 288.435 3.214 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2sc(C)nc2C)CC1 ZINC000177909555 329190171 /nfs/dbraw/zinc/19/01/71/329190171.db2.gz LNMBCFSLEBNCIN-LBPRGKRZSA-N 2 2 279.453 3.061 20 30 CGEDLP C=CCC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000422999887 330163699 /nfs/dbraw/zinc/16/36/99/330163699.db2.gz UBBOTZZDCHLZAY-NJAFHUGGSA-N 2 2 288.435 3.051 20 30 CGEDLP C=CCC[C@H]([NH2+]CC([NH3+])(CC)CC)c1ccco1 ZINC000423287360 330185958 /nfs/dbraw/zinc/18/59/58/330185958.db2.gz LSBUIPIMBQKMRP-ZDUSSCGKSA-N 2 2 250.386 3.394 20 30 CGEDLP C=CCC[C@@H](CC)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423445761 330202152 /nfs/dbraw/zinc/20/21/52/330202152.db2.gz YPJAAGFJRZEWCW-NVXWUHKLSA-N 2 2 258.409 3.208 20 30 CGEDLP CCc1ccc([C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)[NH+](C)C)cc1 ZINC000442653370 330778250 /nfs/dbraw/zinc/77/82/50/330778250.db2.gz SBJJBPJQHWVSFY-NJAFHUGGSA-N 2 2 285.435 3.134 20 30 CGEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000442651203 330778309 /nfs/dbraw/zinc/77/83/09/330778309.db2.gz PZLOSBIXHPNIMM-KBAYOESNSA-N 2 2 283.419 3.105 20 30 CGEDLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1)[NH+](C)C ZINC000442880900 330790238 /nfs/dbraw/zinc/79/02/38/330790238.db2.gz ZPLGOWDNNNRTNP-DFGXFYAUSA-N 2 2 285.435 3.268 20 30 CGEDLP C=CC[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163320649 331020406 /nfs/dbraw/zinc/02/04/06/331020406.db2.gz YRZKSVHZSZTJPE-UONOGXRCSA-N 2 2 255.365 3.488 20 30 CGEDLP C#C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)cc1 ZINC000491278348 332179862 /nfs/dbraw/zinc/17/98/62/332179862.db2.gz SUJLGSGUKWYNQJ-KRWDZBQOSA-N 2 2 288.410 3.353 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2cccs2)CC1 ZINC000177908027 333065635 /nfs/dbraw/zinc/06/56/35/333065635.db2.gz UABGFELDIFGRAD-AWEZNQCLSA-N 2 2 264.438 3.439 20 30 CGEDLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(C#N)cc1 ZINC000181672715 335777481 /nfs/dbraw/zinc/77/74/81/335777481.db2.gz SDQNKTMNBPIGOD-OAHLLOKOSA-N 2 2 294.402 3.496 20 30 CGEDLP C#Cc1ccc(C[NH+]2CCC(CC)([NH+]3CCC3)CC2)cc1 ZINC000895822649 619890851 /nfs/dbraw/zinc/89/08/51/619890851.db2.gz PUSMNHIJCJEUPG-UHFFFAOYSA-N 2 2 282.431 3.118 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924626591 620544957 /nfs/dbraw/zinc/54/49/57/620544957.db2.gz WNEVMPFAKSTEFW-HNNXBMFYSA-N 2 2 296.418 3.349 20 30 CGEDLP C[N@H+](CCC[NH2+]Cc1csc(C#N)c1)Cc1ccccc1 ZINC000921503774 625458672 /nfs/dbraw/zinc/45/86/72/625458672.db2.gz CLRCDJQALKHMPY-UHFFFAOYSA-N 2 2 299.443 3.231 20 30 CGEDLP C[N@@H+](CCC[NH2+]Cc1csc(C#N)c1)Cc1ccccc1 ZINC000921503774 625458674 /nfs/dbraw/zinc/45/86/74/625458674.db2.gz CLRCDJQALKHMPY-UHFFFAOYSA-N 2 2 299.443 3.231 20 30 CGEDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1cccc(C#N)c1 ZINC000902725160 621413500 /nfs/dbraw/zinc/41/35/00/621413500.db2.gz QUYIGLONMDLNDV-IAGOWNOFSA-N 2 2 271.408 3.083 20 30 CGEDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1cccc(C#N)c1 ZINC000902725160 621413503 /nfs/dbraw/zinc/41/35/03/621413503.db2.gz QUYIGLONMDLNDV-IAGOWNOFSA-N 2 2 271.408 3.083 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](c2ccccn2)C2CC2)CC1 ZINC000903090437 621566714 /nfs/dbraw/zinc/56/67/14/621566714.db2.gz BDLYWKCKZQLBDJ-SFHVURJKSA-N 2 2 285.435 3.163 20 30 CGEDLP N#CC1(CCCC[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)CCC1 ZINC000903789201 621809246 /nfs/dbraw/zinc/80/92/46/621809246.db2.gz UNQOXSYATWYTDX-KRWDZBQOSA-N 2 2 275.440 3.069 20 30 CGEDLP N#CC1(CCCC[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)CCC1 ZINC000903789201 621809249 /nfs/dbraw/zinc/80/92/49/621809249.db2.gz UNQOXSYATWYTDX-KRWDZBQOSA-N 2 2 275.440 3.069 20 30 CGEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929991831 624301586 /nfs/dbraw/zinc/30/15/86/624301586.db2.gz KHQUEDDYOYQQPT-MRXNPFEDSA-N 2 2 294.402 3.278 20 30 CGEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929991831 624301590 /nfs/dbraw/zinc/30/15/90/624301590.db2.gz KHQUEDDYOYQQPT-MRXNPFEDSA-N 2 2 294.402 3.278 20 30 CGEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000922235105 625988048 /nfs/dbraw/zinc/98/80/48/625988048.db2.gz RPPBFOGGFNFVJK-INIZCTEOSA-N 2 2 285.435 3.138 20 30 CGEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000922235105 625988049 /nfs/dbraw/zinc/98/80/49/625988049.db2.gz RPPBFOGGFNFVJK-INIZCTEOSA-N 2 2 285.435 3.138 20 30 CGEDLP c1cnn([NH+]=C2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000863163604 629486253 /nfs/dbraw/zinc/48/62/53/629486253.db2.gz KJWLCTCTZMJQHH-KRWDZBQOSA-N 2 2 280.375 3.087 20 30 CGEDLP c1cnn([NH+]=C2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000863163604 629486258 /nfs/dbraw/zinc/48/62/58/629486258.db2.gz KJWLCTCTZMJQHH-KRWDZBQOSA-N 2 2 280.375 3.087 20 30 CGEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000817955584 632250593 /nfs/dbraw/zinc/25/05/93/632250593.db2.gz ZLXBYIISTFNQTH-DNVCBOLYSA-N 2 2 294.398 3.049 20 30 CGEDLP CC1([NH+]2CCCCC2)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000877795147 635204704 /nfs/dbraw/zinc/20/47/04/635204704.db2.gz ANGLRUPXHRQPNK-UHFFFAOYSA-N 2 2 297.446 3.399 20 30 CGEDLP C=CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000883223501 636595741 /nfs/dbraw/zinc/59/57/41/636595741.db2.gz QHJMWJCRJPKHCQ-IRXDYDNUSA-N 2 2 295.430 3.434 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000885972746 637338660 /nfs/dbraw/zinc/33/86/60/637338660.db2.gz JPTKVWRESPTQLA-QGZVFWFLSA-N 2 2 292.467 3.108 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CCCCNc1cccc[nH+]1 ZINC000924924500 638424444 /nfs/dbraw/zinc/42/44/44/638424444.db2.gz ALCKVOAXTBUBAD-AWEZNQCLSA-N 2 2 274.412 3.192 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000924984851 638435638 /nfs/dbraw/zinc/43/56/38/638435638.db2.gz YICHOBSZWJRXBQ-SFHVURJKSA-N 2 2 285.435 3.163 20 30 CGEDLP C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927105941 638842754 /nfs/dbraw/zinc/84/27/54/638842754.db2.gz MOIDFVRYEQHGFH-SJLPKXTDSA-N 2 2 294.483 3.354 20 30 CGEDLP C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927105941 638842756 /nfs/dbraw/zinc/84/27/56/638842756.db2.gz MOIDFVRYEQHGFH-SJLPKXTDSA-N 2 2 294.483 3.354 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716624553 800177615 /nfs/dbraw/zinc/17/76/15/800177615.db2.gz IHLVLWWNHDNZAM-MANSERQUSA-N 2 2 297.446 3.321 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624553 800177620 /nfs/dbraw/zinc/17/76/20/800177620.db2.gz IHLVLWWNHDNZAM-MANSERQUSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@H]1C[C@H]([NH+]2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256536199 806911173 /nfs/dbraw/zinc/91/11/73/806911173.db2.gz FYBDGMJENBQCHJ-QFBILLFUSA-N 2 2 297.446 3.275 20 30 CGEDLP C[C@H]1C[C@H]([NH+]2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256536199 806911178 /nfs/dbraw/zinc/91/11/78/806911178.db2.gz FYBDGMJENBQCHJ-QFBILLFUSA-N 2 2 297.446 3.275 20 30 CGEDLP CC(C)[Si](C#C[N@@H+]1CC[C@@H]([NH3+])C1)(C(C)C)C(C)C ZINC001164281351 806928137 /nfs/dbraw/zinc/92/81/37/806928137.db2.gz ZTTLQJZSMCEMSU-OAHLLOKOSA-N 2 2 266.505 3.198 20 30 CGEDLP CC(C)[Si](C#C[N@H+]1CC[C@@H]([NH3+])C1)(C(C)C)C(C)C ZINC001164281351 806928143 /nfs/dbraw/zinc/92/81/43/806928143.db2.gz ZTTLQJZSMCEMSU-OAHLLOKOSA-N 2 2 266.505 3.198 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCC[NH2+]C1 ZINC001245975918 804091316 /nfs/dbraw/zinc/09/13/16/804091316.db2.gz ACPCKWBWARITIP-IAGOWNOFSA-N 2 2 284.488 3.220 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CCC[NH2+]C1 ZINC001245975927 804091916 /nfs/dbraw/zinc/09/19/16/804091916.db2.gz ACPCKWBWARITIP-SJORKVTESA-N 2 2 284.488 3.220 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[NH2+][C@H](C)C1 ZINC001246008210 804098811 /nfs/dbraw/zinc/09/88/11/804098811.db2.gz DBDZCJQQRFSBJP-ZACQAIPSSA-N 2 2 284.488 3.218 20 30 CGEDLP CCCCCCCCC[C@@H](C)[NH2+][C@@H]1CCOC12C[NH2+]C2 ZINC001246123795 804152928 /nfs/dbraw/zinc/15/29/28/804152928.db2.gz FBPSGSOGJGDGQH-HZPDHXFCSA-N 2 2 282.472 3.236 20 30 CGEDLP CCCCCCC[C@@H](CCC)[NH2+][C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001246149706 804169623 /nfs/dbraw/zinc/16/96/23/804169623.db2.gz DYTLCCCUYFIYFR-NCOADZHNSA-N 2 2 282.472 3.235 20 30 CGEDLP CCCCCCCCC[C@H](C)[NH2+][C@@H]([NH3+])CCC[NH3+] ZINC001246299378 804265703 /nfs/dbraw/zinc/26/57/03/804265703.db2.gz HQSWBBTUNASOQI-LSDHHAIUSA-N 3 2 257.466 3.129 20 30 CGEDLP CCCCCCCCC[C@H](C)[NH2+][C@H]([NH3+])CCC[NH3+] ZINC001246299373 804266646 /nfs/dbraw/zinc/26/66/46/804266646.db2.gz HQSWBBTUNASOQI-GJZGRUSLSA-N 3 2 257.466 3.129 20 30 CGEDLP CCCCCCCCC[C@@H](C)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246562196 804411392 /nfs/dbraw/zinc/41/13/92/804411392.db2.gz YYHVRJCHUSWLFA-SJORKVTESA-N 2 2 284.488 3.436 20 30 CGEDLP CCCCCCCCC[C@@H](C)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246562196 804411394 /nfs/dbraw/zinc/41/13/94/804411394.db2.gz YYHVRJCHUSWLFA-SJORKVTESA-N 2 2 284.488 3.436 20 30 CGEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c(C)cc(C#N)cc1C ZINC001167633986 807221455 /nfs/dbraw/zinc/22/14/55/807221455.db2.gz HENWFAMCDCSHQG-MSOLQXFVSA-N 2 2 297.446 3.234 20 30 CGEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1c(C)cc(C#N)cc1C ZINC001167633986 807221463 /nfs/dbraw/zinc/22/14/63/807221463.db2.gz HENWFAMCDCSHQG-MSOLQXFVSA-N 2 2 297.446 3.234 20 30 CGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)cc(C#N)cc1C ZINC001167633986 807221465 /nfs/dbraw/zinc/22/14/65/807221465.db2.gz HENWFAMCDCSHQG-MSOLQXFVSA-N 2 2 297.446 3.234 20 30 CGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)cc(C#N)cc1C ZINC001167633986 807221472 /nfs/dbraw/zinc/22/14/72/807221472.db2.gz HENWFAMCDCSHQG-MSOLQXFVSA-N 2 2 297.446 3.234 20 30 CGEDLP C[C@@H](CCCC#N)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172498016 808354928 /nfs/dbraw/zinc/35/49/28/808354928.db2.gz IFOKHPZELOWJAR-HNNXBMFYSA-N 2 2 282.391 3.386 20 30 CGEDLP C[C@@H](CCCC#N)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172498016 808354936 /nfs/dbraw/zinc/35/49/36/808354936.db2.gz IFOKHPZELOWJAR-HNNXBMFYSA-N 2 2 282.391 3.386 20 30 CGEDLP N#CCC1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001173331099 808616111 /nfs/dbraw/zinc/61/61/11/808616111.db2.gz ZCFZZFWZQPMFDW-UHFFFAOYSA-N 2 2 298.434 3.112 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C2CCC3(CCC3)CC2)CC1 ZINC001177683470 809814742 /nfs/dbraw/zinc/81/47/42/809814742.db2.gz FAVIHEZWAFJISE-UHFFFAOYSA-N 2 2 262.441 3.339 20 30 CGEDLP CC#CC[N@@H+](CCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198640297 811527895 /nfs/dbraw/zinc/52/78/95/811527895.db2.gz BCQZMWCHNAFWOM-UHFFFAOYSA-N 2 2 284.447 3.386 20 30 CGEDLP CC#CC[N@H+](CCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001198640297 811527900 /nfs/dbraw/zinc/52/79/00/811527900.db2.gz BCQZMWCHNAFWOM-UHFFFAOYSA-N 2 2 284.447 3.386 20 30 CGEDLP C[NH+]1CCC([N@H+](Cc2ccc(C#N)cc2)C2CCCC2)CC1 ZINC001203906887 812487759 /nfs/dbraw/zinc/48/77/59/812487759.db2.gz FICHFSZXTHFIEP-UHFFFAOYSA-N 2 2 297.446 3.397 20 30 CGEDLP C[NH+]1CCC([N@@H+](Cc2ccc(C#N)cc2)C2CCCC2)CC1 ZINC001203906887 812487764 /nfs/dbraw/zinc/48/77/64/812487764.db2.gz FICHFSZXTHFIEP-UHFFFAOYSA-N 2 2 297.446 3.397 20 30 CGEDLP CC(C)(C)[C@@]1(C[NH2+]CCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC001205561768 813004710 /nfs/dbraw/zinc/00/47/10/813004710.db2.gz JXQNPLLHUCPSCA-LJQANCHMSA-N 2 2 299.462 3.428 20 30 CGEDLP CC(C)(C)[C@@]1(C[NH2+]CCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC001205561768 813004714 /nfs/dbraw/zinc/00/47/14/813004714.db2.gz JXQNPLLHUCPSCA-LJQANCHMSA-N 2 2 299.462 3.428 20 30 CGEDLP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c(C#N)c1 ZINC001242593089 823050499 /nfs/dbraw/zinc/05/04/99/823050499.db2.gz HXQNJNQNVBHHOL-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c(C#N)c1 ZINC001242593089 823050502 /nfs/dbraw/zinc/05/05/02/823050502.db2.gz HXQNJNQNVBHHOL-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)ccc1C#N ZINC001242769068 823127910 /nfs/dbraw/zinc/12/79/10/823127910.db2.gz DSNRWOWARAESNZ-LJQANCHMSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)ccc1C#N ZINC001242769068 823127911 /nfs/dbraw/zinc/12/79/11/823127911.db2.gz DSNRWOWARAESNZ-LJQANCHMSA-N 2 2 291.398 3.067 20 30 CGEDLP C=CCCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235005396 818977193 /nfs/dbraw/zinc/97/71/93/818977193.db2.gz WGQIGBPNGOGQHV-HOTGVXAUSA-N 2 2 250.430 3.339 20 30 CGEDLP C=CCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235005396 818977195 /nfs/dbraw/zinc/97/71/95/818977195.db2.gz WGQIGBPNGOGQHV-HOTGVXAUSA-N 2 2 250.430 3.339 20 30 CGEDLP N#CCc1ccccc1C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC001235510827 819112573 /nfs/dbraw/zinc/11/25/73/819112573.db2.gz DFNLUWPWUPMUMA-UHFFFAOYSA-N 2 2 297.446 3.203 20 30 CGEDLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(C#Cc2ccccc2)cc1 ZINC001237203336 819698214 /nfs/dbraw/zinc/69/82/14/819698214.db2.gz DBHMGDZBGKUXSQ-UZLBHIALSA-N 2 2 290.410 3.008 20 30 CGEDLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(C#Cc2ccccc2)cc1 ZINC001237203336 819698218 /nfs/dbraw/zinc/69/82/18/819698218.db2.gz DBHMGDZBGKUXSQ-UZLBHIALSA-N 2 2 290.410 3.008 20 30 CGEDLP CC(C)C1=[NH+]CCc2ccc(C[NH+]3CC(CC#N)C3)cc21 ZINC001237880119 819865872 /nfs/dbraw/zinc/86/58/72/819865872.db2.gz CTMMCYGCKHJDHA-UHFFFAOYSA-N 2 2 281.403 3.033 20 30 CGEDLP CC[N@H+](CCC#N)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237883977 819870984 /nfs/dbraw/zinc/87/09/84/819870984.db2.gz XXFFELDPGMHXFR-UHFFFAOYSA-N 2 2 283.419 3.423 20 30 CGEDLP CC[N@@H+](CCC#N)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237883977 819870995 /nfs/dbraw/zinc/87/09/95/819870995.db2.gz XXFFELDPGMHXFR-UHFFFAOYSA-N 2 2 283.419 3.423 20 30 CGEDLP C#Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC001308466972 933114835 /nfs/dbraw/zinc/11/48/35/933114835.db2.gz SCWXIAYTFCHFFF-IBGZPJMESA-N 2 2 282.431 3.165 20 30 CGEDLP C#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001308466972 933114838 /nfs/dbraw/zinc/11/48/38/933114838.db2.gz SCWXIAYTFCHFFF-IBGZPJMESA-N 2 2 282.431 3.165 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(OC(F)F)c2)CC1 ZINC001473981520 937833661 /nfs/dbraw/zinc/83/36/61/937833661.db2.gz KNHDDGFRIBTQNV-UHFFFAOYSA-N 2 2 296.361 3.028 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000651681501 398268514 /nfs/dbraw/zinc/26/85/14/398268514.db2.gz QSUOEFDKOIVPSH-SJLPKXTDSA-N 2 2 299.462 3.380 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCCC[C@H]2C)CC1 ZINC000651700864 398271313 /nfs/dbraw/zinc/27/13/13/398271313.db2.gz XHPQIXJNSCOWLE-GDBMZVCRSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC(F)F)CC2)C1 ZINC000623089815 349758351 /nfs/dbraw/zinc/75/83/51/349758351.db2.gz ZURYFGIJMDKAGQ-HIFRSBDPSA-N 2 2 286.410 3.298 20 30 CGEDLP C[C@@H](C[NH2+]CC(C)(C)CCC#N)[NH+]1CCC(C)CC1 ZINC000174320808 346240615 /nfs/dbraw/zinc/24/06/15/346240615.db2.gz RBSNSTPLIIGAFO-HNNXBMFYSA-N 2 2 265.445 3.026 20 30 CGEDLP CC[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593695409 347104425 /nfs/dbraw/zinc/10/44/25/347104425.db2.gz NROGSXBFSWABJF-IEBWSBKVSA-N 2 2 297.446 3.301 20 30 CGEDLP N#CCCC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000594945780 347237847 /nfs/dbraw/zinc/23/78/47/347237847.db2.gz XIQPSFNVNAXZKJ-QGZVFWFLSA-N 2 2 294.402 3.354 20 30 CGEDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000595054472 347270855 /nfs/dbraw/zinc/27/08/55/347270855.db2.gz PTASMNPNVRJEOA-WFASDCNBSA-N 2 2 289.398 3.221 20 30 CGEDLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000595054472 347270858 /nfs/dbraw/zinc/27/08/58/347270858.db2.gz PTASMNPNVRJEOA-WFASDCNBSA-N 2 2 289.398 3.221 20 30 CGEDLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(F)c1C#N ZINC000601997867 347931979 /nfs/dbraw/zinc/93/19/79/347931979.db2.gz NHKXEYGFWWOGAD-CQSZACIVSA-N 2 2 289.398 3.051 20 30 CGEDLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(F)c1C#N ZINC000601997867 347931980 /nfs/dbraw/zinc/93/19/80/347931980.db2.gz NHKXEYGFWWOGAD-CQSZACIVSA-N 2 2 289.398 3.051 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000602548651 347979932 /nfs/dbraw/zinc/97/99/32/347979932.db2.gz USNXWRNQGIPTEZ-FUHWJXTLSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000602548651 347979934 /nfs/dbraw/zinc/97/99/34/347979934.db2.gz USNXWRNQGIPTEZ-FUHWJXTLSA-N 2 2 285.435 3.180 20 30 CGEDLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390925 348444769 /nfs/dbraw/zinc/44/47/69/348444769.db2.gz LLGYSDGQZRJFIV-AEFFLSMTSA-N 2 2 283.419 3.010 20 30 CGEDLP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390925 348444770 /nfs/dbraw/zinc/44/47/70/348444770.db2.gz LLGYSDGQZRJFIV-AEFFLSMTSA-N 2 2 283.419 3.010 20 30 CGEDLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC(C)(C)C#N ZINC000612585193 348530218 /nfs/dbraw/zinc/53/02/18/348530218.db2.gz REDXSBGAKWFMPY-UHFFFAOYSA-N 2 2 287.451 3.284 20 30 CGEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC(C)(C)C#N ZINC000612585193 348530222 /nfs/dbraw/zinc/53/02/22/348530222.db2.gz REDXSBGAKWFMPY-UHFFFAOYSA-N 2 2 287.451 3.284 20 30 CGEDLP Cc1ccc(CCC[NH2+][C@@H]2CCc3cc(C#N)ccc32)c[nH+]1 ZINC000619430994 349249614 /nfs/dbraw/zinc/24/96/14/349249614.db2.gz BOPGFBUNTTUIOF-LJQANCHMSA-N 2 2 291.398 3.471 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(C)c2)CC1 ZINC000272974581 192004114 /nfs/dbraw/zinc/00/41/14/192004114.db2.gz UAIYMYATZWWFJP-HNNXBMFYSA-N 2 2 288.435 3.305 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2sc(CC)nc2C)CC1 ZINC000177904959 189078575 /nfs/dbraw/zinc/07/85/75/189078575.db2.gz DHVJXMCZLKOITQ-GFCCVEGCSA-N 2 2 293.480 3.315 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC000177906870 189078642 /nfs/dbraw/zinc/07/86/42/189078642.db2.gz DEXVYFDMYDYJJO-GFCCVEGCSA-N 2 2 280.362 3.266 20 30 CGEDLP C=C(C)COCC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000134506518 371342532 /nfs/dbraw/zinc/34/25/32/371342532.db2.gz AUQSQOZVVCQNDP-WMZOPIPTSA-N 2 2 288.435 3.004 20 30 CGEDLP C=C(C)COCC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000134506518 371342536 /nfs/dbraw/zinc/34/25/36/371342536.db2.gz AUQSQOZVVCQNDP-WMZOPIPTSA-N 2 2 288.435 3.004 20 30 CGEDLP N#Cc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134888201 371372527 /nfs/dbraw/zinc/37/25/27/371372527.db2.gz NLJQRILGQRGQOP-MJGOQNOKSA-N 2 2 295.430 3.007 20 30 CGEDLP N#Cc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134888201 371372531 /nfs/dbraw/zinc/37/25/31/371372531.db2.gz NLJQRILGQRGQOP-MJGOQNOKSA-N 2 2 295.430 3.007 20 30 CGEDLP N#Cc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134888201 371372537 /nfs/dbraw/zinc/37/25/37/371372537.db2.gz NLJQRILGQRGQOP-MJGOQNOKSA-N 2 2 295.430 3.007 20 30 CGEDLP N#Cc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134888201 371372542 /nfs/dbraw/zinc/37/25/42/371372542.db2.gz NLJQRILGQRGQOP-MJGOQNOKSA-N 2 2 295.430 3.007 20 30 CGEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000442651206 373061546 /nfs/dbraw/zinc/06/15/46/373061546.db2.gz PZLOSBIXHPNIMM-NJAFHUGGSA-N 2 2 283.419 3.105 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000447590234 373459081 /nfs/dbraw/zinc/45/90/81/373459081.db2.gz AZLIPGLEWFSLJA-DLBZAZTESA-N 2 2 262.441 3.338 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CC1 ZINC000447590234 373459089 /nfs/dbraw/zinc/45/90/89/373459089.db2.gz AZLIPGLEWFSLJA-DLBZAZTESA-N 2 2 262.441 3.338 20 30 CGEDLP C=CCCCC[C@@H](C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000449180305 373668519 /nfs/dbraw/zinc/66/85/19/373668519.db2.gz ZPWVSAQWHHLFSO-HUUCEWRRSA-N 2 2 270.486 3.148 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2sccc2OC)CC1 ZINC000186156319 374804425 /nfs/dbraw/zinc/80/44/25/374804425.db2.gz ALVQYZBGSPLQNU-LBPRGKRZSA-N 2 2 280.437 3.058 20 30 CGEDLP C=CCC[C@H](C)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000186063274 374792889 /nfs/dbraw/zinc/79/28/89/374792889.db2.gz FOMHWDQRJSQANQ-AWEZNQCLSA-N 2 2 271.408 3.450 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCC(C)(C)C)CC1 ZINC000556582690 376864481 /nfs/dbraw/zinc/86/44/81/376864481.db2.gz CGVAVIOBLQOQRA-AWEZNQCLSA-N 2 2 252.446 3.441 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000248780980 377400606 /nfs/dbraw/zinc/40/06/06/377400606.db2.gz HYXNPJMMHNTTJM-QYZOEREBSA-N 2 2 297.446 3.323 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000248780980 377400613 /nfs/dbraw/zinc/40/06/13/377400613.db2.gz HYXNPJMMHNTTJM-QYZOEREBSA-N 2 2 297.446 3.323 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000280984991 379812383 /nfs/dbraw/zinc/81/23/83/379812383.db2.gz WOGYEROTRCLWIE-GOSISDBHSA-N 2 2 285.435 3.163 20 30 CGEDLP C=CCOc1ccccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000353921473 380236098 /nfs/dbraw/zinc/23/60/98/380236098.db2.gz HTBYAUIBLUGYMP-UHFFFAOYSA-N 2 2 297.402 3.354 20 30 CGEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000339082673 392945914 /nfs/dbraw/zinc/94/59/14/392945914.db2.gz WUXQZGSHPKBPNY-IAGOWNOFSA-N 2 2 286.423 3.068 20 30 CGEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530214153 392984768 /nfs/dbraw/zinc/98/47/68/392984768.db2.gz BMNKDBCBIMYZDX-MSOLQXFVSA-N 2 2 295.430 3.200 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000648450073 393023553 /nfs/dbraw/zinc/02/35/53/393023553.db2.gz QHJBXWKSHBNDOX-GOEBONIOSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000648450073 393023561 /nfs/dbraw/zinc/02/35/61/393023561.db2.gz QHJBXWKSHBNDOX-GOEBONIOSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CC[C@@H]1[N@H+](Cc2c[nH+]c(C)n2C)CCCC1(C)C ZINC000668070547 542965439 /nfs/dbraw/zinc/96/54/39/542965439.db2.gz STEHOSFMMOGJCP-HNNXBMFYSA-N 2 2 261.413 3.295 20 30 CGEDLP C=CC[C@@H]1[N@@H+](Cc2c[nH+]c(C)n2C)CCCC1(C)C ZINC000668070547 542965441 /nfs/dbraw/zinc/96/54/41/542965441.db2.gz STEHOSFMMOGJCP-HNNXBMFYSA-N 2 2 261.413 3.295 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657352851 419257216 /nfs/dbraw/zinc/25/72/16/419257216.db2.gz LGEUNSPEKLLYQJ-UHFFFAOYSA-N 2 2 287.432 3.036 20 30 CGEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000657872666 419398261 /nfs/dbraw/zinc/39/82/61/419398261.db2.gz OTAWCPJVADWVTB-IIAWOOMASA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000657872666 419398264 /nfs/dbraw/zinc/39/82/64/419398264.db2.gz OTAWCPJVADWVTB-IIAWOOMASA-N 2 2 250.430 3.194 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000192605119 262205880 /nfs/dbraw/zinc/20/58/80/262205880.db2.gz XTNGEJRWJAABTI-HZPDHXFCSA-N 2 2 296.418 3.407 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000294949574 263169723 /nfs/dbraw/zinc/16/97/23/263169723.db2.gz CXTFNLYSXHVCKP-NEPXVJNWSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@H+]1Cc1ccccc1 ZINC000294949574 263169724 /nfs/dbraw/zinc/16/97/24/263169724.db2.gz CXTFNLYSXHVCKP-NEPXVJNWSA-N 2 2 297.446 3.321 20 30 CGEDLP C=CCCC[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000340903309 263308899 /nfs/dbraw/zinc/30/88/99/263308899.db2.gz NSFKKCPTROHJOG-GOEBONIOSA-N 2 2 260.381 3.280 20 30 CGEDLP C=CCCC[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000340903309 263308901 /nfs/dbraw/zinc/30/89/01/263308901.db2.gz NSFKKCPTROHJOG-GOEBONIOSA-N 2 2 260.381 3.280 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CC[C@H]1SC)C(C)C ZINC000425362398 264134632 /nfs/dbraw/zinc/13/46/32/264134632.db2.gz USGSDZAPOBMOAJ-BZUAXINKSA-N 2 2 282.497 3.169 20 30 CGEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000366822129 265015236 /nfs/dbraw/zinc/01/52/36/265015236.db2.gz IZVHXTHRSKLKDV-RDJZCZTQSA-N 2 2 283.419 3.105 20 30 CGEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000366822129 265015238 /nfs/dbraw/zinc/01/52/38/265015238.db2.gz IZVHXTHRSKLKDV-RDJZCZTQSA-N 2 2 283.419 3.105 20 30 CGEDLP C=CCOc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000560073327 327282336 /nfs/dbraw/zinc/28/23/36/327282336.db2.gz SHEMZTAIKDOJKT-UHFFFAOYSA-N 2 2 297.402 3.074 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000248762008 329899049 /nfs/dbraw/zinc/89/90/49/329899049.db2.gz GQYANUQUANTYLV-QRQLOZEOSA-N 2 2 297.446 3.495 20 30 CGEDLP C=CC[C@H](C)[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422983752 330162748 /nfs/dbraw/zinc/16/27/48/330162748.db2.gz UVPSPRSSYWBJIE-IAOVAPTHSA-N 2 2 274.408 3.043 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000449127091 330900576 /nfs/dbraw/zinc/90/05/76/330900576.db2.gz WCCAWDGRGJWLOU-ZMSDIMECSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)C(C)C ZINC000185775703 333148456 /nfs/dbraw/zinc/14/84/56/333148456.db2.gz BLCPYSRJJVQVSI-OKZBNKHCSA-N 2 2 289.467 3.357 20 30 CGEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccco1 ZINC000353533968 527488704 /nfs/dbraw/zinc/48/87/04/527488704.db2.gz YKVNZIPDBIWYRH-ILXRZTDVSA-N 2 2 262.397 3.359 20 30 CGEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccco1 ZINC000353533968 527488706 /nfs/dbraw/zinc/48/87/06/527488706.db2.gz YKVNZIPDBIWYRH-ILXRZTDVSA-N 2 2 262.397 3.359 20 30 CGEDLP C[C@H]([NH2+]CC(C)(C)CC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000903018157 621520739 /nfs/dbraw/zinc/52/07/39/621520739.db2.gz YBIZFOXTWHZBMW-AWEZNQCLSA-N 2 2 282.391 3.463 20 30 CGEDLP N#CC1(CCCC[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCC1 ZINC000903746803 621799056 /nfs/dbraw/zinc/79/90/56/621799056.db2.gz LGKOILBMAOIDEB-ZWKOTPCHSA-N 2 2 297.446 3.277 20 30 CGEDLP N#CC1(CCCC[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCC1 ZINC000903746803 621799060 /nfs/dbraw/zinc/79/90/60/621799060.db2.gz LGKOILBMAOIDEB-ZWKOTPCHSA-N 2 2 297.446 3.277 20 30 CGEDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000775396061 628090028 /nfs/dbraw/zinc/09/00/28/628090028.db2.gz WYOBDWVKNJXVPX-RDTXWAMCSA-N 2 2 283.419 3.010 20 30 CGEDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000775396061 628090031 /nfs/dbraw/zinc/09/00/31/628090031.db2.gz WYOBDWVKNJXVPX-RDTXWAMCSA-N 2 2 283.419 3.010 20 30 CGEDLP C=CCCCCC[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000810253202 630860387 /nfs/dbraw/zinc/86/03/87/630860387.db2.gz OBDQTBKHCFVTKH-KGLIPLIRSA-N 2 2 261.413 3.382 20 30 CGEDLP C#C[C@H](CC)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877513318 635065863 /nfs/dbraw/zinc/06/58/63/635065863.db2.gz RBNHCXCNTUIPBG-AOIWGVFYSA-N 2 2 282.431 3.356 20 30 CGEDLP C#C[C@H](CC)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877513318 635065867 /nfs/dbraw/zinc/06/58/67/635065867.db2.gz RBNHCXCNTUIPBG-AOIWGVFYSA-N 2 2 282.431 3.356 20 30 CGEDLP C[C@@H](CC#N)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130744 806550455 /nfs/dbraw/zinc/55/04/55/806550455.db2.gz JGWRNQLSAGKZGU-OWLYRPNTSA-N 2 2 283.419 3.074 20 30 CGEDLP C[C@@H](CC#N)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255130744 806550449 /nfs/dbraw/zinc/55/04/49/806550449.db2.gz JGWRNQLSAGKZGU-OWLYRPNTSA-N 2 2 283.419 3.074 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000380929507 799369990 /nfs/dbraw/zinc/36/99/90/799369990.db2.gz NUFXVRPJUGMZPM-GFCCVEGCSA-N 2 2 282.790 3.085 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000380929507 799369996 /nfs/dbraw/zinc/36/99/96/799369996.db2.gz NUFXVRPJUGMZPM-GFCCVEGCSA-N 2 2 282.790 3.085 20 30 CGEDLP C=CC[N@H+](Cc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC001256081191 806816937 /nfs/dbraw/zinc/81/69/37/806816937.db2.gz SBAKHDNFCJEJFB-UHFFFAOYSA-N 2 2 270.420 3.301 20 30 CGEDLP C=CC[N@@H+](Cc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC001256081191 806816947 /nfs/dbraw/zinc/81/69/47/806816947.db2.gz SBAKHDNFCJEJFB-UHFFFAOYSA-N 2 2 270.420 3.301 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246036952 804102577 /nfs/dbraw/zinc/10/25/77/804102577.db2.gz VYPPDHSPLHPCBK-OKZBNKHCSA-N 2 2 296.499 3.301 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246036952 804102581 /nfs/dbraw/zinc/10/25/81/804102581.db2.gz VYPPDHSPLHPCBK-OKZBNKHCSA-N 2 2 296.499 3.301 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001246069709 804108723 /nfs/dbraw/zinc/10/87/23/804108723.db2.gz ZDUYDLIYEUEVDQ-MSOLQXFVSA-N 2 2 294.483 3.090 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001246069709 804108725 /nfs/dbraw/zinc/10/87/25/804108725.db2.gz ZDUYDLIYEUEVDQ-MSOLQXFVSA-N 2 2 294.483 3.090 20 30 CGEDLP CCCCCCC[C@H](CC(C)C)[NH2+][C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001246152199 804171067 /nfs/dbraw/zinc/17/10/67/804171067.db2.gz LHSLUTMJRWNRAI-BDXSIMOUSA-N 2 2 296.499 3.481 20 30 CGEDLP CCCCCCCC[C@H](CC)[NH2+][C@H]([NH3+])CCC[NH3+] ZINC001246300391 804265945 /nfs/dbraw/zinc/26/59/45/804265945.db2.gz NOXBJQYFOPLMFV-GJZGRUSLSA-N 3 2 257.466 3.129 20 30 CGEDLP CCCCCCCC[C@H](CC)[NH2+][C@@H]([NH3+])CCC[NH3+] ZINC001246300395 804266887 /nfs/dbraw/zinc/26/68/87/804266887.db2.gz NOXBJQYFOPLMFV-LSDHHAIUSA-N 3 2 257.466 3.129 20 30 CGEDLP CCCCCCC[C@@H](CC)[NH2+][C@H]1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246389100 804318774 /nfs/dbraw/zinc/31/87/74/804318774.db2.gz KIRFYJVZNDTXJI-WCXIOVBPSA-N 2 2 282.472 3.235 20 30 CGEDLP CCCC[N@H+](CCC#N)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246769193 804502639 /nfs/dbraw/zinc/50/26/39/804502639.db2.gz ISOUFRNWGFMFBA-MRXNPFEDSA-N 2 2 277.456 3.457 20 30 CGEDLP CCCC[N@@H+](CCC#N)[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246769193 804502642 /nfs/dbraw/zinc/50/26/42/804502642.db2.gz ISOUFRNWGFMFBA-MRXNPFEDSA-N 2 2 277.456 3.457 20 30 CGEDLP C[C@@H]1C[NH2+]CCC[C@H]1CNc1[nH+]ccc2ccc(C#N)cc21 ZINC001155024357 805524769 /nfs/dbraw/zinc/52/47/69/805524769.db2.gz HGDQZXHWGYIVPZ-CJNGLKHVSA-N 2 2 294.402 3.154 20 30 CGEDLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@](C)(C#N)C(C)C ZINC001258899213 807668806 /nfs/dbraw/zinc/66/88/06/807668806.db2.gz IAVMCMPEKUKCMM-GJZGRUSLSA-N 2 2 253.434 3.025 20 30 CGEDLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C#N)CC(C)C ZINC001258902778 807671522 /nfs/dbraw/zinc/67/15/22/807671522.db2.gz FTACLZZIRYCXCV-HUUCEWRRSA-N 2 2 253.434 3.025 20 30 CGEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001172310792 808223151 /nfs/dbraw/zinc/22/31/51/808223151.db2.gz JETIQLXJVJBSBC-HNNXBMFYSA-N 2 2 294.402 3.023 20 30 CGEDLP CCCCCCCC[C@H](CCC)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001173308472 808604740 /nfs/dbraw/zinc/60/47/40/808604740.db2.gz AKZCOCUDNBVCBK-ARFHVFGLSA-N 2 2 270.461 3.221 20 30 CGEDLP CC(C)[N@H+](C1CCC(CC#N)CC1)C1CC[NH+](C)CC1 ZINC001173341499 808621277 /nfs/dbraw/zinc/62/12/77/808621277.db2.gz XWOTWBHKAWOSMM-UHFFFAOYSA-N 2 2 277.456 3.263 20 30 CGEDLP CC(C)[N@@H+](C1CCC(CC#N)CC1)C1CC[NH+](C)CC1 ZINC001173341499 808621283 /nfs/dbraw/zinc/62/12/83/808621283.db2.gz XWOTWBHKAWOSMM-UHFFFAOYSA-N 2 2 277.456 3.263 20 30 CGEDLP C#CCCC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275975392 808980370 /nfs/dbraw/zinc/98/03/70/808980370.db2.gz AYQYXLMNSSNELC-LJQANCHMSA-N 2 2 299.462 3.106 20 30 CGEDLP C#CCCC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275975392 808980372 /nfs/dbraw/zinc/98/03/72/808980372.db2.gz AYQYXLMNSSNELC-LJQANCHMSA-N 2 2 299.462 3.106 20 30 CGEDLP C#CCCC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275975392 808980374 /nfs/dbraw/zinc/98/03/74/808980374.db2.gz AYQYXLMNSSNELC-LJQANCHMSA-N 2 2 299.462 3.106 20 30 CGEDLP C#CCCC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275975392 808980375 /nfs/dbraw/zinc/98/03/75/808980375.db2.gz AYQYXLMNSSNELC-LJQANCHMSA-N 2 2 299.462 3.106 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C/C=C\c2ccc(F)cc2F)CC1 ZINC001200126190 811640581 /nfs/dbraw/zinc/64/05/81/811640581.db2.gz BZSXTDJESLFLHC-ARJAWSKDSA-N 2 2 292.373 3.218 20 30 CGEDLP CCCCCCCCC[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235927916 819226305 /nfs/dbraw/zinc/22/63/05/819226305.db2.gz OUHBGIFVVHEDDU-UHFFFAOYSA-N 2 2 282.472 3.190 20 30 CGEDLP CCCCCCCCC[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235927916 819226310 /nfs/dbraw/zinc/22/63/10/819226310.db2.gz OUHBGIFVVHEDDU-UHFFFAOYSA-N 2 2 282.472 3.190 20 30 CGEDLP C=CCCC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236388136 819446074 /nfs/dbraw/zinc/44/60/74/819446074.db2.gz IONROXTYISTJEP-QGZVFWFLSA-N 2 2 276.399 3.346 20 30 CGEDLP C=CCCC[N@H+](Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236388136 819446078 /nfs/dbraw/zinc/44/60/78/819446078.db2.gz IONROXTYISTJEP-QGZVFWFLSA-N 2 2 276.399 3.346 20 30 CGEDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238195084 819953259 /nfs/dbraw/zinc/95/32/59/819953259.db2.gz ZTUKKCQZWYACLQ-UHFFFAOYSA-N 2 2 291.826 3.128 20 30 CGEDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238195084 819953263 /nfs/dbraw/zinc/95/32/63/819953263.db2.gz ZTUKKCQZWYACLQ-UHFFFAOYSA-N 2 2 291.826 3.128 20 30 CGEDLP Cc1ccc(C#N)cc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001242542643 823025097 /nfs/dbraw/zinc/02/50/97/823025097.db2.gz NAXQNZJWYAVOFX-QGZVFWFLSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(C#N)cc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001242542643 823025100 /nfs/dbraw/zinc/02/51/00/823025100.db2.gz NAXQNZJWYAVOFX-QGZVFWFLSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1cccn2cc(CC[NH2+]C3CCC(C)(C#N)CC3)[nH+]c12 ZINC000590745869 346870863 /nfs/dbraw/zinc/87/08/63/346870863.db2.gz ALRHHNDQYRBEBR-UHFFFAOYSA-N 2 2 296.418 3.247 20 30 CGEDLP Cc1ccc(CCC[NH+]2CCC(CCC#N)CC2)c[nH+]1 ZINC000592517233 346994512 /nfs/dbraw/zinc/99/45/12/346994512.db2.gz GEOVXZWRIWOPBP-UHFFFAOYSA-N 2 2 271.408 3.338 20 30 CGEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080974158 345693456 /nfs/dbraw/zinc/69/34/56/345693456.db2.gz YULJIZGPYWYBFV-BBRMVZONSA-N 2 2 280.375 3.222 20 30 CGEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080974158 345693457 /nfs/dbraw/zinc/69/34/57/345693457.db2.gz YULJIZGPYWYBFV-BBRMVZONSA-N 2 2 280.375 3.222 20 30 CGEDLP C#CCOc1ccc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000090847380 345796041 /nfs/dbraw/zinc/79/60/41/345796041.db2.gz BABRZLYOQUWRHT-INIZCTEOSA-N 2 2 294.398 3.295 20 30 CGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000594520938 347188899 /nfs/dbraw/zinc/18/88/99/347188899.db2.gz RSHAHONSLUOAOL-GUDVDZBRSA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC000594520938 347188900 /nfs/dbraw/zinc/18/89/00/347188900.db2.gz RSHAHONSLUOAOL-GUDVDZBRSA-N 2 2 295.430 3.152 20 30 CGEDLP C=CCCSCC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000594960238 347241296 /nfs/dbraw/zinc/24/12/96/347241296.db2.gz NRHOCJSYVWJVTI-UHFFFAOYSA-N 2 2 275.421 3.042 20 30 CGEDLP CC(C)CC[N@H+](CCC#N)Cc1ccnn1-c1cc[nH+]cc1 ZINC000596996322 347525688 /nfs/dbraw/zinc/52/56/88/347525688.db2.gz RUJMUXHJIJDUMK-UHFFFAOYSA-N 2 2 297.406 3.029 20 30 CGEDLP CC(C)CC[N@@H+](CCC#N)Cc1ccnn1-c1cc[nH+]cc1 ZINC000596996322 347525693 /nfs/dbraw/zinc/52/56/93/347525693.db2.gz RUJMUXHJIJDUMK-UHFFFAOYSA-N 2 2 297.406 3.029 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000602526911 347975618 /nfs/dbraw/zinc/97/56/18/347975618.db2.gz GUGIULVAOKEEBC-ZDUSSCGKSA-N 2 2 270.380 3.025 20 30 CGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602543366 347978956 /nfs/dbraw/zinc/97/89/56/347978956.db2.gz CBLWLMCXWFOBEY-JVGQSUMCSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602543366 347978960 /nfs/dbraw/zinc/97/89/60/347978960.db2.gz CBLWLMCXWFOBEY-JVGQSUMCSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@@H](CC#N)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000602868526 348038136 /nfs/dbraw/zinc/03/81/36/348038136.db2.gz CDURDDHTNSIVHE-HNNXBMFYSA-N 2 2 271.408 3.064 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@H](C)CC#N ZINC000602870532 348038926 /nfs/dbraw/zinc/03/89/26/348038926.db2.gz MRXKDMHNKRVNCF-CQSZACIVSA-N 2 2 284.407 3.407 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)C2CC2)CC1 ZINC000177905165 189078678 /nfs/dbraw/zinc/07/86/78/189078678.db2.gz TWWZDXZJWHNCQG-LJQANCHMSA-N 2 2 284.447 3.248 20 30 CGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCNc1cccc[nH+]1)CC2 ZINC000353275190 220002802 /nfs/dbraw/zinc/00/28/02/220002802.db2.gz QEWQLYDPKBCNAV-KRWDZBQOSA-N 2 2 292.386 3.032 20 30 CGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000155102010 371905123 /nfs/dbraw/zinc/90/51/23/371905123.db2.gz CIGPFZQJDLPREV-AEFFLSMTSA-N 2 2 299.462 3.426 20 30 CGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000155102010 371905129 /nfs/dbraw/zinc/90/51/29/371905129.db2.gz CIGPFZQJDLPREV-AEFFLSMTSA-N 2 2 299.462 3.426 20 30 CGEDLP C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C[C@@H]1n1cc[nH+]c1 ZINC000159008380 372098634 /nfs/dbraw/zinc/09/86/34/372098634.db2.gz XZBFRKTXTFMZKG-CABCVRRESA-N 2 2 274.412 3.096 20 30 CGEDLP C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@@H]1n1cc[nH+]c1 ZINC000159008380 372098640 /nfs/dbraw/zinc/09/86/40/372098640.db2.gz XZBFRKTXTFMZKG-CABCVRRESA-N 2 2 274.412 3.096 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@@H]2CC)CC1 ZINC000430715414 372392244 /nfs/dbraw/zinc/39/22/44/372392244.db2.gz AEDVHDARQMJYRU-HLLBOEOZSA-N 2 2 264.457 3.441 20 30 CGEDLP C[C@@H](C#N)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000183818243 374460757 /nfs/dbraw/zinc/46/07/57/374460757.db2.gz LSSGAFLUNDINRQ-ZDUSSCGKSA-N 2 2 291.826 3.054 20 30 CGEDLP C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000185684919 374713693 /nfs/dbraw/zinc/71/36/93/374713693.db2.gz HPPVEMDHYQURAB-HNAYVOBHSA-N 2 2 293.414 3.339 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OCC)CC1 ZINC000482638359 375171395 /nfs/dbraw/zinc/17/13/95/375171395.db2.gz ZTJVPMVPTACSMS-HNNXBMFYSA-N 2 2 288.435 3.386 20 30 CGEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCCC#N)C1 ZINC000246466746 377035660 /nfs/dbraw/zinc/03/56/60/377035660.db2.gz ZHOGMAYJSMYYOB-DOTOQJQBSA-N 2 2 271.408 3.105 20 30 CGEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCCC#N)C1 ZINC000246466746 377035666 /nfs/dbraw/zinc/03/56/66/377035666.db2.gz ZHOGMAYJSMYYOB-DOTOQJQBSA-N 2 2 271.408 3.105 20 30 CGEDLP CCC[NH+]1CCC([N@H+](C)Cc2cccc(C#N)c2F)CC1 ZINC000340901048 377310462 /nfs/dbraw/zinc/31/04/62/377310462.db2.gz SGXDRTKSABVQAW-UHFFFAOYSA-N 2 2 289.398 3.004 20 30 CGEDLP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(C#N)c2F)CC1 ZINC000340901048 377310473 /nfs/dbraw/zinc/31/04/73/377310473.db2.gz SGXDRTKSABVQAW-UHFFFAOYSA-N 2 2 289.398 3.004 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)CCCC)CC1 ZINC000565444356 377487243 /nfs/dbraw/zinc/48/72/43/377487243.db2.gz LRIRWRGHEPOHAG-GJZGRUSLSA-N 2 2 252.446 3.441 20 30 CGEDLP N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000574957233 377729685 /nfs/dbraw/zinc/72/96/85/377729685.db2.gz DWLBZNYABLZKID-STQMWFEESA-N 2 2 286.404 3.106 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000273875448 378760356 /nfs/dbraw/zinc/76/03/56/378760356.db2.gz PMEAMMZAEMWWDK-CGTJXYLNSA-N 2 2 285.435 3.321 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000273875448 378760358 /nfs/dbraw/zinc/76/03/58/378760358.db2.gz PMEAMMZAEMWWDK-CGTJXYLNSA-N 2 2 285.435 3.321 20 30 CGEDLP Cc1cc[nH+]cc1CCC[NH2+]CCc1cccc(C#N)c1 ZINC000348376637 378934131 /nfs/dbraw/zinc/93/41/31/378934131.db2.gz XWQLYJKIGIXVLX-UHFFFAOYSA-N 2 2 279.387 3.027 20 30 CGEDLP C=C(C)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000351734149 379742085 /nfs/dbraw/zinc/74/20/85/379742085.db2.gz GVHUKUPVVBQRIX-AWEZNQCLSA-N 2 2 255.365 3.489 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)[C@H]2CC2(C)C)CC1 ZINC000414131938 380191796 /nfs/dbraw/zinc/19/17/96/380191796.db2.gz YPNSJBNCRNPTBK-HUUCEWRRSA-N 2 2 250.430 3.051 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)COC3)CC1 ZINC000268916297 190451253 /nfs/dbraw/zinc/45/12/53/190451253.db2.gz VJFTWPYXTYGBMY-AWEZNQCLSA-N 2 2 286.419 3.018 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCCC(F)(F)F)CC1 ZINC000359643064 381358821 /nfs/dbraw/zinc/35/88/21/381358821.db2.gz UCWFATFIRPZGMD-LBPRGKRZSA-N 2 2 278.362 3.348 20 30 CGEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282170012 392283103 /nfs/dbraw/zinc/28/31/03/392283103.db2.gz UZIZZBBURQQPAU-CYBMUJFWSA-N 2 2 279.815 3.151 20 30 CGEDLP C=C(Cl)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282170012 392283107 /nfs/dbraw/zinc/28/31/07/392283107.db2.gz UZIZZBBURQQPAU-CYBMUJFWSA-N 2 2 279.815 3.151 20 30 CGEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423563848 393673026 /nfs/dbraw/zinc/67/30/26/393673026.db2.gz RNIQMPHLIDMROZ-WMZOPIPTSA-N 2 2 283.419 3.057 20 30 CGEDLP Clc1ccc(C#CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000674249593 543276653 /nfs/dbraw/zinc/27/66/53/543276653.db2.gz BNPGSIOAAUXAJC-KRWDZBQOSA-N 2 2 299.805 3.225 20 30 CGEDLP Clc1ccc(C#CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000674249593 543276657 /nfs/dbraw/zinc/27/66/57/543276657.db2.gz BNPGSIOAAUXAJC-KRWDZBQOSA-N 2 2 299.805 3.225 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2nc(C)sc2C)CC1 ZINC000676490256 543399894 /nfs/dbraw/zinc/39/98/94/543399894.db2.gz PBRYLUJQUWCAKU-NSHDSACASA-N 2 2 279.453 3.061 20 30 CGEDLP C=CCC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCCC1 ZINC000657484292 419290193 /nfs/dbraw/zinc/29/01/93/419290193.db2.gz BLLXSKSXJLNXBH-UHFFFAOYSA-N 2 2 259.397 3.055 20 30 CGEDLP C=CCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000657583360 419309363 /nfs/dbraw/zinc/30/93/63/419309363.db2.gz KBRYONQHCSQAQK-UHFFFAOYSA-N 2 2 278.827 3.470 20 30 CGEDLP C=CCC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000657633306 419317220 /nfs/dbraw/zinc/31/72/20/419317220.db2.gz SYFMZBJQSYYRCO-UHFFFAOYSA-N 2 2 297.402 3.087 20 30 CGEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000657872672 419398301 /nfs/dbraw/zinc/39/83/01/419398301.db2.gz OTAWCPJVADWVTB-SQWLQELKSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000657872672 419398303 /nfs/dbraw/zinc/39/83/03/419398303.db2.gz OTAWCPJVADWVTB-SQWLQELKSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000657845050 419385605 /nfs/dbraw/zinc/38/56/05/419385605.db2.gz PGVQMRPRVAFCHH-HOTGVXAUSA-N 2 2 261.413 3.388 20 30 CGEDLP CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000277670376 263042893 /nfs/dbraw/zinc/04/28/93/263042893.db2.gz JSSLABNIYLKMPD-AWEZNQCLSA-N 2 2 274.412 3.309 20 30 CGEDLP CC(C)(C#N)CCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000277670376 263042894 /nfs/dbraw/zinc/04/28/94/263042894.db2.gz JSSLABNIYLKMPD-AWEZNQCLSA-N 2 2 274.412 3.309 20 30 CGEDLP C=CCOc1ccccc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414848930 263064921 /nfs/dbraw/zinc/06/49/21/263064921.db2.gz WTTXWAKZROBJIB-UHFFFAOYSA-N 2 2 274.408 3.003 20 30 CGEDLP Cc1cccn2c(C[NH2+]CC(C)(C)CCC#N)c[nH+]c12 ZINC000342291797 263413798 /nfs/dbraw/zinc/41/37/98/263413798.db2.gz NUSBMKVKKLCLQB-UHFFFAOYSA-N 2 2 270.380 3.062 20 30 CGEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000414311656 328154493 /nfs/dbraw/zinc/15/44/93/328154493.db2.gz YRTYCLGJROLDAM-WDYCEAGBSA-N 2 2 284.447 3.246 20 30 CGEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000414311656 328154494 /nfs/dbraw/zinc/15/44/94/328154494.db2.gz YRTYCLGJROLDAM-WDYCEAGBSA-N 2 2 284.447 3.246 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC000177905629 329190191 /nfs/dbraw/zinc/19/01/91/329190191.db2.gz LWNJAFBBYMMAJI-GFCCVEGCSA-N 2 2 280.362 3.266 20 30 CGEDLP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000192727012 329435723 /nfs/dbraw/zinc/43/57/23/329435723.db2.gz XAZITHSZGWVUBO-GOEBONIOSA-N 2 2 280.375 3.044 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccncc2Cl)CC1 ZINC000421840279 330093479 /nfs/dbraw/zinc/09/34/79/330093479.db2.gz YNRANPKKYZZKBU-CYBMUJFWSA-N 2 2 293.842 3.426 20 30 CGEDLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1)[NH+](C)C ZINC000442880899 330790316 /nfs/dbraw/zinc/79/03/16/330790316.db2.gz ZPLGOWDNNNRTNP-CUSZFKRNSA-N 2 2 285.435 3.268 20 30 CGEDLP C[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)C[N@@H+]1Cc1ccccc1 ZINC000459730203 331296321 /nfs/dbraw/zinc/29/63/21/331296321.db2.gz LNYAVXIXFIXFEE-RDJZCZTQSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)C[N@H+]1Cc1ccccc1 ZINC000459730203 331296322 /nfs/dbraw/zinc/29/63/22/331296322.db2.gz LNYAVXIXFIXFEE-RDJZCZTQSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)C[N@@H+]1Cc1ccccc1 ZINC000459730200 331296424 /nfs/dbraw/zinc/29/64/24/331296424.db2.gz LNYAVXIXFIXFEE-NVXWUHKLSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)C[N@H+]1Cc1ccccc1 ZINC000459730200 331296425 /nfs/dbraw/zinc/29/64/25/331296425.db2.gz LNYAVXIXFIXFEE-NVXWUHKLSA-N 2 2 285.435 3.179 20 30 CGEDLP C#C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(C)(C)C ZINC000491658333 332269323 /nfs/dbraw/zinc/26/93/23/332269323.db2.gz VYQKUJXJQSHWIM-CYBMUJFWSA-N 2 2 290.373 3.041 20 30 CGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1Cl ZINC000347056561 526872246 /nfs/dbraw/zinc/87/22/46/526872246.db2.gz VLLJMVCDRSYKQP-DOMZBBRYSA-N 2 2 294.826 3.074 20 30 CGEDLP C=CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1Cl ZINC000347056561 526872247 /nfs/dbraw/zinc/87/22/47/526872247.db2.gz VLLJMVCDRSYKQP-DOMZBBRYSA-N 2 2 294.826 3.074 20 30 CGEDLP C=CCCC[C@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000344327315 527296677 /nfs/dbraw/zinc/29/66/77/527296677.db2.gz LIMBNYAFMLCESI-INIZCTEOSA-N 2 2 287.451 3.380 20 30 CGEDLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000902759290 621428760 /nfs/dbraw/zinc/42/87/60/621428760.db2.gz TXFZOLKNLQYENE-KRWDZBQOSA-N 2 2 282.391 3.276 20 30 CGEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903010322 621533259 /nfs/dbraw/zinc/53/32/59/621533259.db2.gz KMFHFAYRIYPCQB-OLMNPRSZSA-N 2 2 297.402 3.257 20 30 CGEDLP C=C(Cl)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000773005178 627840779 /nfs/dbraw/zinc/84/07/79/627840779.db2.gz PRYYKACSUUOLEP-UHFFFAOYSA-N 2 2 256.821 3.126 20 30 CGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000854231495 638029892 /nfs/dbraw/zinc/02/98/92/638029892.db2.gz FJNLDDAUHSMNIC-OLZOCXBDSA-N 2 2 282.815 3.076 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000192746852 640401748 /nfs/dbraw/zinc/40/17/48/640401748.db2.gz VPVOBBOXDPZNOT-CVEARBPZSA-N 2 2 280.375 3.044 20 30 CGEDLP N#CCC1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255136621 806552512 /nfs/dbraw/zinc/55/25/12/806552512.db2.gz MSFBIERIORUXLF-BWTSREIZSA-N 2 2 295.430 3.027 20 30 CGEDLP N#CCC1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255136621 806552522 /nfs/dbraw/zinc/55/25/22/806552522.db2.gz MSFBIERIORUXLF-BWTSREIZSA-N 2 2 295.430 3.027 20 30 CGEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001255164492 806563809 /nfs/dbraw/zinc/56/38/09/806563809.db2.gz KUBWQNMGWLEONE-HOTGVXAUSA-N 2 2 275.440 3.089 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001246015678 804099143 /nfs/dbraw/zinc/09/91/43/804099143.db2.gz WPIGEDJBSOXROD-IRXDYDNUSA-N 2 2 284.488 3.301 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[N@H+]1CCC[C@H]([NH3+])C1 ZINC001246015678 804099153 /nfs/dbraw/zinc/09/91/53/804099153.db2.gz WPIGEDJBSOXROD-IRXDYDNUSA-N 2 2 284.488 3.301 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1C[NH2+]C[C@@H]2C[C@@H]21 ZINC001246017393 804100499 /nfs/dbraw/zinc/10/04/99/804100499.db2.gz YXCRDRUUMDRRBL-XLAORIBOSA-N 2 2 296.499 3.076 20 30 CGEDLP CCCCCCC[C@H](CCC)[NH2+][C@@H]1CCOC12C[NH2+]C2 ZINC001246125860 804154178 /nfs/dbraw/zinc/15/41/78/804154178.db2.gz KBJZKOQCJQANEG-JKSUJKDBSA-N 2 2 282.472 3.236 20 30 CGEDLP CCCCCCC[C@@H](CC)[NH2+]CCC[N@H+](C)CCC[NH3+] ZINC001246282594 804259183 /nfs/dbraw/zinc/25/91/83/804259183.db2.gz DYLLHLWWMFLJJT-QGZVFWFLSA-N 3 2 285.520 3.386 20 30 CGEDLP CCCCCCC[C@@H](CC)[NH2+]CCC[N@@H+](C)CCC[NH3+] ZINC001246282594 804259191 /nfs/dbraw/zinc/25/91/91/804259191.db2.gz DYLLHLWWMFLJJT-QGZVFWFLSA-N 3 2 285.520 3.386 20 30 CGEDLP CCCCCCCCC[C@H](C)[NH2+][C@H](C)[C@H]1C[NH2+]CCO1 ZINC001246296488 804264502 /nfs/dbraw/zinc/26/45/02/804264502.db2.gz RTIMMKVMXHRVGQ-GVDBMIGSSA-N 2 2 284.488 3.482 20 30 CGEDLP CCCCCCC[C@H](CCC)[NH2+][C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001246297578 804264999 /nfs/dbraw/zinc/26/49/99/804264999.db2.gz WDBJFPXSAMSCDT-ULQDDVLXSA-N 2 2 284.488 3.482 20 30 CGEDLP CCCCCCC[C@@H](CC)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246337557 804291101 /nfs/dbraw/zinc/29/11/01/804291101.db2.gz UCOAZVOJYJRNCL-CABCVRRESA-N 2 2 272.502 3.420 20 30 CGEDLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140755953 804506625 /nfs/dbraw/zinc/50/66/25/804506625.db2.gz ZNZSAJZAQHDCOA-UHFFFAOYSA-N 2 2 295.377 3.000 20 30 CGEDLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140755953 804506628 /nfs/dbraw/zinc/50/66/28/804506628.db2.gz ZNZSAJZAQHDCOA-UHFFFAOYSA-N 2 2 295.377 3.000 20 30 CGEDLP C=C(C)C[N@@H+](CC)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244424 804624755 /nfs/dbraw/zinc/62/47/55/804624755.db2.gz NFUZVLBFZKXYPE-UHFFFAOYSA-N 2 2 255.365 3.270 20 30 CGEDLP C=C(C)C[N@H+](CC)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141244424 804624759 /nfs/dbraw/zinc/62/47/59/804624759.db2.gz NFUZVLBFZKXYPE-UHFFFAOYSA-N 2 2 255.365 3.270 20 30 CGEDLP C=CCC[C@@H](C)[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246980031 804627071 /nfs/dbraw/zinc/62/70/71/804627071.db2.gz QDKZLHBPACJRRW-ZBFHGGJFSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@@H](C)[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246980031 804627076 /nfs/dbraw/zinc/62/70/76/804627076.db2.gz QDKZLHBPACJRRW-ZBFHGGJFSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CC[NH+]([C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)(C)C ZINC001172131283 808188164 /nfs/dbraw/zinc/18/81/64/808188164.db2.gz VTOLQEBZUUPTNE-QDMKHBRRSA-N 2 2 250.430 3.288 20 30 CGEDLP C=CC[NH+]([C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC001172131283 808188166 /nfs/dbraw/zinc/18/81/66/808188166.db2.gz VTOLQEBZUUPTNE-QDMKHBRRSA-N 2 2 250.430 3.288 20 30 CGEDLP C=CC[N@@H+]([C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC001172131283 808188167 /nfs/dbraw/zinc/18/81/67/808188167.db2.gz VTOLQEBZUUPTNE-QDMKHBRRSA-N 2 2 250.430 3.288 20 30 CGEDLP C=CC[N@H+]([C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC001172131283 808188168 /nfs/dbraw/zinc/18/81/68/808188168.db2.gz VTOLQEBZUUPTNE-QDMKHBRRSA-N 2 2 250.430 3.288 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001177548990 809808813 /nfs/dbraw/zinc/80/88/13/809808813.db2.gz ZTIQGDWHEXEEMZ-GVDBMIGSSA-N 2 2 264.457 3.441 20 30 CGEDLP Cc1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)ccc1C#N ZINC001242769067 823127863 /nfs/dbraw/zinc/12/78/63/823127863.db2.gz DSNRWOWARAESNZ-IBGZPJMESA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)ccc1C#N ZINC001242769067 823127866 /nfs/dbraw/zinc/12/78/66/823127866.db2.gz DSNRWOWARAESNZ-IBGZPJMESA-N 2 2 291.398 3.067 20 30 CGEDLP CCCCCCC[N@H+](CC)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235663179 819131857 /nfs/dbraw/zinc/13/18/57/819131857.db2.gz VKZLCOSENOTERG-AWEZNQCLSA-N 2 2 256.434 3.003 20 30 CGEDLP CCCCCCC[N@@H+](CC)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235663179 819131861 /nfs/dbraw/zinc/13/18/61/819131861.db2.gz VKZLCOSENOTERG-AWEZNQCLSA-N 2 2 256.434 3.003 20 30 CGEDLP C=CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]1 ZINC001235703402 819146853 /nfs/dbraw/zinc/14/68/53/819146853.db2.gz UQQZDDJULDBTTF-KRWDZBQOSA-N 2 2 258.409 3.207 20 30 CGEDLP C=CCC[N@H+](Cc1ccccc1)C[C@@H]1CCCC[NH2+]1 ZINC001235703402 819146856 /nfs/dbraw/zinc/14/68/56/819146856.db2.gz UQQZDDJULDBTTF-KRWDZBQOSA-N 2 2 258.409 3.207 20 30 CGEDLP C=CCOc1ccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236469680 819491377 /nfs/dbraw/zinc/49/13/77/819491377.db2.gz UXRGZZMOEYCJGJ-QGZVFWFLSA-N 2 2 288.435 3.214 20 30 CGEDLP C=CCOc1ccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236469680 819491383 /nfs/dbraw/zinc/49/13/83/819491383.db2.gz UXRGZZMOEYCJGJ-QGZVFWFLSA-N 2 2 288.435 3.214 20 30 CGEDLP Cc1cc(C#N)ccc1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001242474418 823004840 /nfs/dbraw/zinc/00/48/40/823004840.db2.gz NSWKPTRSAYEGSE-QGZVFWFLSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1cc(C#N)ccc1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001242474418 823004844 /nfs/dbraw/zinc/00/48/44/823004844.db2.gz NSWKPTRSAYEGSE-QGZVFWFLSA-N 2 2 291.398 3.067 20 30 CGEDLP C=C(C)C[N@@H+](Cc1ccccc1)C[C@H]([NH3+])CC(F)F ZINC001574836453 962316804 /nfs/dbraw/zinc/31/68/04/962316804.db2.gz NCVLFFBUNFUOEW-CQSZACIVSA-N 2 2 268.351 3.047 20 30 CGEDLP C=C(C)C[N@H+](Cc1ccccc1)C[C@H]([NH3+])CC(F)F ZINC001574836453 962316823 /nfs/dbraw/zinc/31/68/23/962316823.db2.gz NCVLFFBUNFUOEW-CQSZACIVSA-N 2 2 268.351 3.047 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC(F)F)CC2)C1 ZINC000623089816 349759162 /nfs/dbraw/zinc/75/91/62/349759162.db2.gz ZURYFGIJMDKAGQ-UKRRQHHQSA-N 2 2 286.410 3.298 20 30 CGEDLP N#CC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCCC1 ZINC000594995910 347252334 /nfs/dbraw/zinc/25/23/34/347252334.db2.gz VLJUHWLSYQYSOC-UHFFFAOYSA-N 2 2 294.402 3.436 20 30 CGEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000595054469 347270823 /nfs/dbraw/zinc/27/08/23/347270823.db2.gz PTASMNPNVRJEOA-DOMZBBRYSA-N 2 2 289.398 3.221 20 30 CGEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000595054469 347270825 /nfs/dbraw/zinc/27/08/25/347270825.db2.gz PTASMNPNVRJEOA-DOMZBBRYSA-N 2 2 289.398 3.221 20 30 CGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602617887 347995627 /nfs/dbraw/zinc/99/56/27/347995627.db2.gz PKIUANMNLUNZIY-JVDULTGUSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602617887 347995629 /nfs/dbraw/zinc/99/56/29/347995629.db2.gz PKIUANMNLUNZIY-JVDULTGUSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@@H](C[NH2+]C1CCC(C#N)CC1)[N@H+](C)Cc1ccccc1 ZINC000602551994 347980865 /nfs/dbraw/zinc/98/08/65/347980865.db2.gz QJESMACMPGOMGD-HJOIGYKYSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@@H](C[NH2+]C1CCC(C#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC000602551994 347980867 /nfs/dbraw/zinc/98/08/67/347980867.db2.gz QJESMACMPGOMGD-HJOIGYKYSA-N 2 2 285.435 3.179 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000611390866 348444329 /nfs/dbraw/zinc/44/43/29/348444329.db2.gz IMVBZOVXKLHGRM-GOSISDBHSA-N 2 2 294.402 3.202 20 30 CGEDLP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000111389213 138363860 /nfs/dbraw/zinc/36/38/60/138363860.db2.gz PNTOZPFZCBHUSN-MRXNPFEDSA-N 2 2 293.414 3.168 20 30 CGEDLP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000111389213 138363861 /nfs/dbraw/zinc/36/38/61/138363861.db2.gz PNTOZPFZCBHUSN-MRXNPFEDSA-N 2 2 293.414 3.168 20 30 CGEDLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(C#N)c1 ZINC000181672801 189303629 /nfs/dbraw/zinc/30/36/29/189303629.db2.gz VUXQSSADQKPYPL-OAHLLOKOSA-N 2 2 294.402 3.496 20 30 CGEDLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(C#N)cc1 ZINC000182682964 189331626 /nfs/dbraw/zinc/33/16/26/189331626.db2.gz XHZMZGBUOCCOIS-INIZCTEOSA-N 2 2 293.414 3.168 20 30 CGEDLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(C#N)cc1 ZINC000182682964 189331627 /nfs/dbraw/zinc/33/16/27/189331627.db2.gz XHZMZGBUOCCOIS-INIZCTEOSA-N 2 2 293.414 3.168 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289068349 371751011 /nfs/dbraw/zinc/75/10/11/371751011.db2.gz AYJPASYWPSDETR-RYQLBKOJSA-N 2 2 285.435 3.179 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289068349 371751015 /nfs/dbraw/zinc/75/10/15/371751015.db2.gz AYJPASYWPSDETR-RYQLBKOJSA-N 2 2 285.435 3.179 20 30 CGEDLP C=C(C)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449470954 373755627 /nfs/dbraw/zinc/75/56/27/373755627.db2.gz BUEJZGXKHPAYOY-UHFFFAOYSA-N 2 2 283.419 3.078 20 30 CGEDLP C=C(CC)C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449735914 373862898 /nfs/dbraw/zinc/86/28/98/373862898.db2.gz SKURZGZRJASEMG-WBVHZDCISA-N 2 2 258.409 3.378 20 30 CGEDLP C=C(CC)C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449735914 373862901 /nfs/dbraw/zinc/86/29/01/373862901.db2.gz SKURZGZRJASEMG-WBVHZDCISA-N 2 2 258.409 3.378 20 30 CGEDLP C=CCSCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180456143 374010442 /nfs/dbraw/zinc/01/04/42/374010442.db2.gz LAEWEVRFPVKZLP-AWEZNQCLSA-N 2 2 287.432 3.442 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000493708948 375478659 /nfs/dbraw/zinc/47/86/59/375478659.db2.gz RZQYVIRSWSAJJI-SOUVJXGZSA-N 2 2 250.430 3.336 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000493708948 375478666 /nfs/dbraw/zinc/47/86/66/375478666.db2.gz RZQYVIRSWSAJJI-SOUVJXGZSA-N 2 2 250.430 3.336 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000337993162 376252285 /nfs/dbraw/zinc/25/22/85/376252285.db2.gz RZBUDYGNQTVONC-HOCLYGCPSA-N 2 2 268.420 3.145 20 30 CGEDLP CC[NH+](CC)CCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000338281827 376312388 /nfs/dbraw/zinc/31/23/88/376312388.db2.gz OISRNKYCENGPHJ-UHFFFAOYSA-N 2 2 297.446 3.379 20 30 CGEDLP CC[NH+](CC)CCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000338281827 376312391 /nfs/dbraw/zinc/31/23/91/376312391.db2.gz OISRNKYCENGPHJ-UHFFFAOYSA-N 2 2 297.446 3.379 20 30 CGEDLP C=C(C)C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339659962 376790028 /nfs/dbraw/zinc/79/00/28/376790028.db2.gz FDIWZDMGLXACJO-OAHLLOKOSA-N 2 2 269.392 3.385 20 30 CGEDLP C=C(C)C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339659962 376790034 /nfs/dbraw/zinc/79/00/34/376790034.db2.gz FDIWZDMGLXACJO-OAHLLOKOSA-N 2 2 269.392 3.385 20 30 CGEDLP C=CCC[C@@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000245909842 376932918 /nfs/dbraw/zinc/93/29/18/376932918.db2.gz DDIRONVTWXCNCC-GOEBONIOSA-N 2 2 250.430 3.053 20 30 CGEDLP C=CCC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000245909842 376932927 /nfs/dbraw/zinc/93/29/27/376932927.db2.gz DDIRONVTWXCNCC-GOEBONIOSA-N 2 2 250.430 3.053 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000248762000 377397610 /nfs/dbraw/zinc/39/76/10/377397610.db2.gz GQYANUQUANTYLV-NZSAHSFTSA-N 2 2 297.446 3.495 20 30 CGEDLP C#CCCOc1ccc(C[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000269938166 378284003 /nfs/dbraw/zinc/28/40/03/378284003.db2.gz DWUCEOOTXDMAOX-UHFFFAOYSA-N 2 2 294.398 3.124 20 30 CGEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000271129180 378459019 /nfs/dbraw/zinc/45/90/19/378459019.db2.gz OKORCAQTRHOALE-INIZCTEOSA-N 2 2 297.402 3.354 20 30 CGEDLP C=CCOc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000271129180 378459027 /nfs/dbraw/zinc/45/90/27/378459027.db2.gz OKORCAQTRHOALE-INIZCTEOSA-N 2 2 297.402 3.354 20 30 CGEDLP C=C(Cl)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272919092 378722951 /nfs/dbraw/zinc/72/29/51/378722951.db2.gz RKHXXWOMAUKAGR-HOCLYGCPSA-N 2 2 278.827 3.382 20 30 CGEDLP C=C(Cl)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272919092 378722956 /nfs/dbraw/zinc/72/29/56/378722956.db2.gz RKHXXWOMAUKAGR-HOCLYGCPSA-N 2 2 278.827 3.382 20 30 CGEDLP C=CC[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC000351638177 379734720 /nfs/dbraw/zinc/73/47/20/379734720.db2.gz KFTXOYJHAUMWAW-IBGZPJMESA-N 2 2 297.446 3.421 20 30 CGEDLP C=CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC000351638177 379734731 /nfs/dbraw/zinc/73/47/31/379734731.db2.gz KFTXOYJHAUMWAW-IBGZPJMESA-N 2 2 297.446 3.421 20 30 CGEDLP C=CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(C#N)c1 ZINC000351638177 379734738 /nfs/dbraw/zinc/73/47/38/379734738.db2.gz KFTXOYJHAUMWAW-IBGZPJMESA-N 2 2 297.446 3.421 20 30 CGEDLP C=CC[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(C#N)c1 ZINC000351638177 379734748 /nfs/dbraw/zinc/73/47/48/379734748.db2.gz KFTXOYJHAUMWAW-IBGZPJMESA-N 2 2 297.446 3.421 20 30 CGEDLP C[N@H+](CCC#N)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411312740 380138371 /nfs/dbraw/zinc/13/83/71/380138371.db2.gz VTKOWXCXNWUKJO-UHFFFAOYSA-N 2 2 271.408 3.018 20 30 CGEDLP C[N@@H+](CCC#N)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411312740 380138378 /nfs/dbraw/zinc/13/83/78/380138378.db2.gz VTKOWXCXNWUKJO-UHFFFAOYSA-N 2 2 271.408 3.018 20 30 CGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000353767004 220315341 /nfs/dbraw/zinc/31/53/41/220315341.db2.gz JVBYWLAIPVJTRG-XJKSGUPXSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000353767004 220315344 /nfs/dbraw/zinc/31/53/44/220315344.db2.gz JVBYWLAIPVJTRG-XJKSGUPXSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000353767004 220315347 /nfs/dbraw/zinc/31/53/47/220315347.db2.gz JVBYWLAIPVJTRG-XJKSGUPXSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000353767004 220315350 /nfs/dbraw/zinc/31/53/50/220315350.db2.gz JVBYWLAIPVJTRG-XJKSGUPXSA-N 2 2 289.398 3.002 20 30 CGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341835267 392994685 /nfs/dbraw/zinc/99/46/85/392994685.db2.gz NHNLTOMCOMJIFF-ZNOIYHFQSA-N 2 2 295.430 3.008 20 30 CGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000341835267 392994691 /nfs/dbraw/zinc/99/46/91/392994691.db2.gz NHNLTOMCOMJIFF-ZNOIYHFQSA-N 2 2 295.430 3.008 20 30 CGEDLP C=CC[C@H]1[N@H+](Cc2c[nH+]c(C)n2C)CCCC1(C)C ZINC000668070548 542965207 /nfs/dbraw/zinc/96/52/07/542965207.db2.gz STEHOSFMMOGJCP-OAHLLOKOSA-N 2 2 261.413 3.295 20 30 CGEDLP C=CC[C@H]1[N@@H+](Cc2c[nH+]c(C)n2C)CCCC1(C)C ZINC000668070548 542965210 /nfs/dbraw/zinc/96/52/10/542965210.db2.gz STEHOSFMMOGJCP-OAHLLOKOSA-N 2 2 261.413 3.295 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCC[C@@H](OC)C1)C(C)C ZINC000684369442 543987146 /nfs/dbraw/zinc/98/71/46/543987146.db2.gz OOQMLSGYLBUIHZ-KZNAEPCWSA-N 2 2 294.483 3.232 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849844 419119947 /nfs/dbraw/zinc/11/99/47/419119947.db2.gz ZFZVSQUEPVZLJV-YHUYYLMFSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849844 419119950 /nfs/dbraw/zinc/11/99/50/419119950.db2.gz ZFZVSQUEPVZLJV-YHUYYLMFSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C1CC1 ZINC000658055028 419523612 /nfs/dbraw/zinc/52/36/12/419523612.db2.gz HMBPACBLSQVKOF-GJZGRUSLSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C1CC1 ZINC000658055028 419523617 /nfs/dbraw/zinc/52/36/17/419523617.db2.gz HMBPACBLSQVKOF-GJZGRUSLSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCCC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000448367471 261129696 /nfs/dbraw/zinc/12/96/96/261129696.db2.gz QGYRUBXYXNUJKW-FUHWJXTLSA-N 2 2 272.436 3.453 20 30 CGEDLP C=CCCC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000448367471 261129699 /nfs/dbraw/zinc/12/96/99/261129699.db2.gz QGYRUBXYXNUJKW-FUHWJXTLSA-N 2 2 272.436 3.453 20 30 CGEDLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000339095798 262598435 /nfs/dbraw/zinc/59/84/35/262598435.db2.gz ILPUJXVBMLVEQE-QYZOEREBSA-N 2 2 299.462 3.425 20 30 CGEDLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000339095798 262598437 /nfs/dbraw/zinc/59/84/37/262598437.db2.gz ILPUJXVBMLVEQE-QYZOEREBSA-N 2 2 299.462 3.425 20 30 CGEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1Cl ZINC000414939998 263149137 /nfs/dbraw/zinc/14/91/37/263149137.db2.gz GDHKTURLALOWGZ-WFASDCNBSA-N 2 2 294.826 3.135 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCC)[C@@H]2CC2(C)C)CC1 ZINC000417313697 263795227 /nfs/dbraw/zinc/79/52/27/263795227.db2.gz PZAKZBWINZVULI-HOTGVXAUSA-N 2 2 264.457 3.441 20 30 CGEDLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000571733779 322306414 /nfs/dbraw/zinc/30/64/14/322306414.db2.gz CWVRLPFCMIJUKZ-KXBFYZLASA-N 2 2 297.446 3.257 20 30 CGEDLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000571733779 322306416 /nfs/dbraw/zinc/30/64/16/322306416.db2.gz CWVRLPFCMIJUKZ-KXBFYZLASA-N 2 2 297.446 3.257 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC000177904276 329190162 /nfs/dbraw/zinc/19/01/62/329190162.db2.gz KXLQTDDCLWOSTL-ZDUSSCGKSA-N 2 2 262.372 3.127 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423415304 330197600 /nfs/dbraw/zinc/19/76/00/330197600.db2.gz DKTDVTGSPDNFSJ-ZQIUZPCESA-N 2 2 258.409 3.064 20 30 CGEDLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000577180386 335317790 /nfs/dbraw/zinc/31/77/90/335317790.db2.gz MEVZUYJPBIXFHM-QGZVFWFLSA-N 2 2 282.391 3.276 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000578890282 335686297 /nfs/dbraw/zinc/68/62/97/335686297.db2.gz QGVNDHMUIHVAHI-MRXNPFEDSA-N 2 2 262.441 3.339 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C2CC2)C(C)(C)C)CC1 ZINC000924984247 619475738 /nfs/dbraw/zinc/47/57/38/619475738.db2.gz QDSVOJQTEAPKBT-OAHLLOKOSA-N 2 2 250.430 3.051 20 30 CGEDLP C#CCCCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902879039 621481637 /nfs/dbraw/zinc/48/16/37/621481637.db2.gz RAFVJYBETOSOTP-HNNXBMFYSA-N 2 2 267.376 3.326 20 30 CGEDLP C#CCCCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902879040 621481717 /nfs/dbraw/zinc/48/17/17/621481717.db2.gz RAFVJYBETOSOTP-OAHLLOKOSA-N 2 2 267.376 3.326 20 30 CGEDLP N#CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000903106838 621580828 /nfs/dbraw/zinc/58/08/28/621580828.db2.gz WQCCIAMDIKZFOF-NNZMDNLPSA-N 2 2 295.430 3.075 20 30 CGEDLP N#CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000903106838 621580832 /nfs/dbraw/zinc/58/08/32/621580832.db2.gz WQCCIAMDIKZFOF-NNZMDNLPSA-N 2 2 295.430 3.075 20 30 CGEDLP C#CCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000761312523 627031704 /nfs/dbraw/zinc/03/17/04/627031704.db2.gz YWWYTENKHXRYTP-KRWDZBQOSA-N 2 2 270.420 3.043 20 30 CGEDLP C#CCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000761312523 627031706 /nfs/dbraw/zinc/03/17/06/627031706.db2.gz YWWYTENKHXRYTP-KRWDZBQOSA-N 2 2 270.420 3.043 20 30 CGEDLP C#CCCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000761311869 627031754 /nfs/dbraw/zinc/03/17/54/627031754.db2.gz SVAJZTWAZOJYLT-GOSISDBHSA-N 2 2 284.447 3.433 20 30 CGEDLP C#CCCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000761311869 627031755 /nfs/dbraw/zinc/03/17/55/627031755.db2.gz SVAJZTWAZOJYLT-GOSISDBHSA-N 2 2 284.447 3.433 20 30 CGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H]1CCCSC1)C(C)C ZINC000769006066 627515996 /nfs/dbraw/zinc/51/59/96/627515996.db2.gz YMVPCAZBFDILMW-HOTGVXAUSA-N 2 2 282.497 3.170 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)C(C)(C)CC)CC1 ZINC000872032788 633951844 /nfs/dbraw/zinc/95/18/44/633951844.db2.gz ADNYUUDJWJGAAN-OAHLLOKOSA-N 2 2 252.446 3.441 20 30 CGEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC1(C#N)CCCCC1 ZINC000931719378 639196144 /nfs/dbraw/zinc/19/61/44/639196144.db2.gz QKAJPGAHLLDNHH-JKSUJKDBSA-N 2 2 275.440 3.019 20 30 CGEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC1(C#N)CCCCC1 ZINC000931719378 639196149 /nfs/dbraw/zinc/19/61/49/639196149.db2.gz QKAJPGAHLLDNHH-JKSUJKDBSA-N 2 2 275.440 3.019 20 30 CGEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC1(C#N)CCCCC1 ZINC000931719378 639196153 /nfs/dbraw/zinc/19/61/53/639196153.db2.gz QKAJPGAHLLDNHH-JKSUJKDBSA-N 2 2 275.440 3.019 20 30 CGEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC1(C#N)CCCCC1 ZINC000931719378 639196157 /nfs/dbraw/zinc/19/61/57/639196157.db2.gz QKAJPGAHLLDNHH-JKSUJKDBSA-N 2 2 275.440 3.019 20 30 CGEDLP CCCCCCCC[C@@H](O)C[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001252136680 806023074 /nfs/dbraw/zinc/02/30/74/806023074.db2.gz TVKCQNLGAKJRJS-IAGOWNOFSA-N 2 2 284.488 3.172 20 30 CGEDLP C[C@@H]1C[C@@H]([NH+]2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256536189 806911566 /nfs/dbraw/zinc/91/15/66/806911566.db2.gz FYBDGMJENBQCHJ-APWZRJJASA-N 2 2 297.446 3.275 20 30 CGEDLP C[C@@H]1C[C@@H]([NH+]2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256536189 806911569 /nfs/dbraw/zinc/91/15/69/806911569.db2.gz FYBDGMJENBQCHJ-APWZRJJASA-N 2 2 297.446 3.275 20 30 CGEDLP Cc1c(C#N)cccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001244817224 803535807 /nfs/dbraw/zinc/53/58/07/803535807.db2.gz CAULOIRONAELMN-KRWDZBQOSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1c(C#N)cccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001244817224 803535811 /nfs/dbraw/zinc/53/58/11/803535811.db2.gz CAULOIRONAELMN-KRWDZBQOSA-N 2 2 291.398 3.067 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246032907 804102138 /nfs/dbraw/zinc/10/21/38/804102138.db2.gz MSUPLHFMERCSTK-ZWKOTPCHSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246032907 804102142 /nfs/dbraw/zinc/10/21/42/804102142.db2.gz MSUPLHFMERCSTK-ZWKOTPCHSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCC[C@@H](CC(C)C)[NH2+][C@@H]1COC[C@@H]1[NH3+] ZINC001246120780 804151079 /nfs/dbraw/zinc/15/10/79/804151079.db2.gz JAWOCIDYLGNYEP-HRCADAONSA-N 2 2 270.461 3.077 20 30 CGEDLP CCCCCCCC[C@@H](CC)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246240871 804231500 /nfs/dbraw/zinc/23/15/00/804231500.db2.gz RPRUQMKMQIVCQI-PMPSAXMXSA-N 2 2 270.461 3.092 20 30 CGEDLP CC[C@@H]1C[C@@H]([N@H+](CCC#N)C2CCCC2)C[C@H](CC)[NH2+]1 ZINC001246768678 804502752 /nfs/dbraw/zinc/50/27/52/804502752.db2.gz GDZSWPJFMNPQLZ-SCAQPMJSSA-N 2 2 277.456 3.454 20 30 CGEDLP CC[C@@H]1C[C@@H]([N@@H+](CCC#N)C2CCCC2)C[C@H](CC)[NH2+]1 ZINC001246768678 804502755 /nfs/dbraw/zinc/50/27/55/804502755.db2.gz GDZSWPJFMNPQLZ-SCAQPMJSSA-N 2 2 277.456 3.454 20 30 CGEDLP CCCC[N@H+](CCC#N)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246770945 804502793 /nfs/dbraw/zinc/50/27/93/804502793.db2.gz SZLYKIICXSQMHL-OALUTQOASA-N 2 2 299.462 3.365 20 30 CGEDLP CCCC[N@@H+](CCC#N)[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246770945 804502796 /nfs/dbraw/zinc/50/27/96/804502796.db2.gz SZLYKIICXSQMHL-OALUTQOASA-N 2 2 299.462 3.365 20 30 CGEDLP C[C@H](C[NH+](C)C)[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257009716 807025910 /nfs/dbraw/zinc/02/59/10/807025910.db2.gz OQNYFVZPYRWEEJ-RWBZWWBESA-N 2 2 285.435 3.124 20 30 CGEDLP CCCCCCCCCC[C@@H](C)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001257548251 807195584 /nfs/dbraw/zinc/19/55/84/807195584.db2.gz UTWLUJBEZACYFY-BZUAXINKSA-N 2 2 270.461 3.221 20 30 CGEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001258735929 807581680 /nfs/dbraw/zinc/58/16/80/807581680.db2.gz GCDGDVHWZWYQAK-LSDHHAIUSA-N 2 2 260.381 3.198 20 30 CGEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001258735929 807581685 /nfs/dbraw/zinc/58/16/85/807581685.db2.gz GCDGDVHWZWYQAK-LSDHHAIUSA-N 2 2 260.381 3.198 20 30 CGEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001172299169 808220046 /nfs/dbraw/zinc/22/00/46/808220046.db2.gz JWIWGYQJUGADJE-YJBOKZPZSA-N 2 2 299.462 3.199 20 30 CGEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001172299169 808220051 /nfs/dbraw/zinc/22/00/51/808220051.db2.gz JWIWGYQJUGADJE-YJBOKZPZSA-N 2 2 299.462 3.199 20 30 CGEDLP CC(C)[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC001172312172 808223896 /nfs/dbraw/zinc/22/38/96/808223896.db2.gz FNCPVTIVXREHPO-INIZCTEOSA-N 2 2 299.462 3.294 20 30 CGEDLP CC(C)[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC001172312172 808223899 /nfs/dbraw/zinc/22/38/99/808223899.db2.gz FNCPVTIVXREHPO-INIZCTEOSA-N 2 2 299.462 3.294 20 30 CGEDLP CC[NH+](CC)C1CCC([NH2+][C@H](C#N)CC(C)C)CC1 ZINC001173107945 808512596 /nfs/dbraw/zinc/51/25/96/808512596.db2.gz UHXMNFHSOVGOFE-PCKAHOCUSA-N 2 2 265.445 3.167 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C/C=C/c2ccc(F)cc2F)CC1 ZINC001200126191 811640874 /nfs/dbraw/zinc/64/08/74/811640874.db2.gz BZSXTDJESLFLHC-ONEGZZNKSA-N 2 2 292.373 3.218 20 30 CGEDLP CCCCCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201840196 811969954 /nfs/dbraw/zinc/96/99/54/811969954.db2.gz OSMGGCMHCAOFLO-CVEARBPZSA-N 2 2 252.446 3.373 20 30 CGEDLP CCCCCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201840196 811969961 /nfs/dbraw/zinc/96/99/61/811969961.db2.gz OSMGGCMHCAOFLO-CVEARBPZSA-N 2 2 252.446 3.373 20 30 CGEDLP CCCCCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001201840196 811969965 /nfs/dbraw/zinc/96/99/65/811969965.db2.gz OSMGGCMHCAOFLO-CVEARBPZSA-N 2 2 252.446 3.373 20 30 CGEDLP CCCCCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001201840196 811969970 /nfs/dbraw/zinc/96/99/70/811969970.db2.gz OSMGGCMHCAOFLO-CVEARBPZSA-N 2 2 252.446 3.373 20 30 CGEDLP CCc1cc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)ccc1C#N ZINC001222303628 816402362 /nfs/dbraw/zinc/40/23/62/816402362.db2.gz ORRZJQLTPISKDK-UHFFFAOYSA-N 2 2 297.446 3.229 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001237379386 819737889 /nfs/dbraw/zinc/73/78/89/819737889.db2.gz BCFXXISZUYQEEJ-KURKYZTESA-N 2 2 274.452 3.363 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001237379386 819737892 /nfs/dbraw/zinc/73/78/92/819737892.db2.gz BCFXXISZUYQEEJ-KURKYZTESA-N 2 2 274.452 3.363 20 30 CGEDLP CC(C)[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001461840391 937601186 /nfs/dbraw/zinc/60/11/86/937601186.db2.gz XDVCWYJPQBLKDP-RBUKOAKNSA-N 2 2 297.446 3.157 20 30 CGEDLP C#CCC1([NH2+]CC[NH+]2C[C@@H](C)C[C@H](C)C2)CCCCC1 ZINC001308105272 933050085 /nfs/dbraw/zinc/05/00/85/933050085.db2.gz JMOJGUKJUZWGTA-IRXDYDNUSA-N 2 2 276.468 3.280 20 30 CGEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001333008203 935504028 /nfs/dbraw/zinc/50/40/28/935504028.db2.gz ISDVDGWSLFDNQK-CYBMUJFWSA-N 2 2 265.788 3.019 20 30 CGEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001333008203 935504033 /nfs/dbraw/zinc/50/40/33/935504033.db2.gz ISDVDGWSLFDNQK-CYBMUJFWSA-N 2 2 265.788 3.019 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC001560264444 938250164 /nfs/dbraw/zinc/25/01/64/938250164.db2.gz XIXXOBDVMCHUHR-CVEARBPZSA-N 2 2 250.430 3.197 20 30 CGEDLP C[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000337390989 214048475 /nfs/dbraw/zinc/04/84/75/214048475.db2.gz NONSGZNOXAPEFM-HNAYVOBHSA-N 2 2 297.446 3.301 20 30 CGEDLP C=CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000651681852 398268602 /nfs/dbraw/zinc/26/86/02/398268602.db2.gz BCBDWZIUFAKMCD-LPHOPBHVSA-N 2 2 299.462 3.380 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000651750596 398282103 /nfs/dbraw/zinc/28/21/03/398282103.db2.gz OUOUNRDMXPYVBC-HUUCEWRRSA-N 2 2 269.392 3.211 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000651752440 398282713 /nfs/dbraw/zinc/28/27/13/398282713.db2.gz GGWAXTXVOWRPMS-CABCVRRESA-N 2 2 259.397 3.218 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3scnc32)CC1 ZINC000623889497 349906243 /nfs/dbraw/zinc/90/62/43/349906243.db2.gz OKJBXVAPJDVPIX-AWEZNQCLSA-N 2 2 291.464 3.151 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594498235 347178990 /nfs/dbraw/zinc/17/89/90/347178990.db2.gz HYXKFOIIFRAZND-UHFFFAOYSA-N 2 2 297.446 3.228 20 30 CGEDLP C[C@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000602571164 347984752 /nfs/dbraw/zinc/98/47/52/347984752.db2.gz YMJNVJPXZWBSSD-GSHBMFQSSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000602571164 347984754 /nfs/dbraw/zinc/98/47/54/347984754.db2.gz YMJNVJPXZWBSSD-GSHBMFQSSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](C)CCC#N ZINC000602580602 347987226 /nfs/dbraw/zinc/98/72/26/347987226.db2.gz FPHTXFQZWPNVLF-JKSUJKDBSA-N 2 2 273.424 3.036 20 30 CGEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](C)CCC#N ZINC000602580602 347987229 /nfs/dbraw/zinc/98/72/29/347987229.db2.gz FPHTXFQZWPNVLF-JKSUJKDBSA-N 2 2 273.424 3.036 20 30 CGEDLP C[C@H](C#N)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602607471 347993023 /nfs/dbraw/zinc/99/30/23/347993023.db2.gz LBCGKHVMNNVYRB-HFTRVMKXSA-N 2 2 283.419 3.104 20 30 CGEDLP C[C@H](C#N)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602607471 347993025 /nfs/dbraw/zinc/99/30/25/347993025.db2.gz LBCGKHVMNNVYRB-HFTRVMKXSA-N 2 2 283.419 3.104 20 30 CGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602543365 347979348 /nfs/dbraw/zinc/97/93/48/347979348.db2.gz CBLWLMCXWFOBEY-JVDULTGUSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602543365 347979351 /nfs/dbraw/zinc/97/93/51/347979351.db2.gz CBLWLMCXWFOBEY-JVDULTGUSA-N 2 2 297.446 3.494 20 30 CGEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390138 348444263 /nfs/dbraw/zinc/44/42/63/348444263.db2.gz FNDBFAUDWZJMSD-AEFFLSMTSA-N 2 2 283.419 3.010 20 30 CGEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390138 348444266 /nfs/dbraw/zinc/44/42/66/348444266.db2.gz FNDBFAUDWZJMSD-AEFFLSMTSA-N 2 2 283.419 3.010 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000611390595 348444675 /nfs/dbraw/zinc/44/46/75/348444675.db2.gz KBPPQOGYFXDXMA-GBESFXJTSA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000611390595 348444677 /nfs/dbraw/zinc/44/46/77/348444677.db2.gz KBPPQOGYFXDXMA-GBESFXJTSA-N 2 2 295.430 3.152 20 30 CGEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000118399260 370613934 /nfs/dbraw/zinc/61/39/34/370613934.db2.gz TYVNOGAOWKHSJW-AWEZNQCLSA-N 2 2 280.375 3.153 20 30 CGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000155102111 371905338 /nfs/dbraw/zinc/90/53/38/371905338.db2.gz CIGPFZQJDLPREV-WMZOPIPTSA-N 2 2 299.462 3.426 20 30 CGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000155102111 371905345 /nfs/dbraw/zinc/90/53/45/371905345.db2.gz CIGPFZQJDLPREV-WMZOPIPTSA-N 2 2 299.462 3.426 20 30 CGEDLP C[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccc(C#N)cc1 ZINC000423446301 372064074 /nfs/dbraw/zinc/06/40/74/372064074.db2.gz ZANBYGHACYENRG-IFXJQAMLSA-N 2 2 291.398 3.096 20 30 CGEDLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000344844433 217330406 /nfs/dbraw/zinc/33/04/06/217330406.db2.gz RJNIOHGESVZHCC-YOEHRIQHSA-N 2 2 289.423 3.141 20 30 CGEDLP CC1(C#N)CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000449064137 373659371 /nfs/dbraw/zinc/65/93/71/373659371.db2.gz OOONZJPIHANROF-XBMUEBEBSA-N 2 2 297.446 3.323 20 30 CGEDLP CC1(C#N)CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449064137 373659377 /nfs/dbraw/zinc/65/93/77/373659377.db2.gz OOONZJPIHANROF-XBMUEBEBSA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185686550 374715176 /nfs/dbraw/zinc/71/51/76/374715176.db2.gz IZVNNOXTGUDXMD-KXBFYZLASA-N 2 2 293.414 3.339 20 30 CGEDLP C=CCC[C@@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000245915717 376934368 /nfs/dbraw/zinc/93/43/68/376934368.db2.gz FLZXHDDOSXQBIQ-GDBMZVCRSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCC[C@@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000245915717 376934372 /nfs/dbraw/zinc/93/43/72/376934372.db2.gz FLZXHDDOSXQBIQ-GDBMZVCRSA-N 2 2 250.430 3.195 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2csc(C)n2)CC1 ZINC000269446573 378223764 /nfs/dbraw/zinc/22/37/64/378223764.db2.gz UVNFWILZCDCBDJ-GFCCVEGCSA-N 2 2 279.453 3.143 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347088704 218117951 /nfs/dbraw/zinc/11/79/51/218117951.db2.gz ODYWADLISQAGBM-KBXCAEBGSA-N 2 2 293.370 3.168 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347088704 218117953 /nfs/dbraw/zinc/11/79/53/218117953.db2.gz ODYWADLISQAGBM-KBXCAEBGSA-N 2 2 293.370 3.168 20 30 CGEDLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353582657 380212375 /nfs/dbraw/zinc/21/23/75/380212375.db2.gz SKGHKJXULHLJDJ-SJLPKXTDSA-N 2 2 283.419 3.010 20 30 CGEDLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353582657 380212378 /nfs/dbraw/zinc/21/23/78/380212378.db2.gz SKGHKJXULHLJDJ-SJLPKXTDSA-N 2 2 283.419 3.010 20 30 CGEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360835926 381630957 /nfs/dbraw/zinc/63/09/57/381630957.db2.gz LPXBVVCJUJJQPJ-KBXCAEBGSA-N 2 2 294.402 3.201 20 30 CGEDLP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000361455945 381752727 /nfs/dbraw/zinc/75/27/27/381752727.db2.gz GWIJPSBFASPOEV-HNAYVOBHSA-N 2 2 297.446 3.301 20 30 CGEDLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(C#N)cc1F ZINC000423390925 533437499 /nfs/dbraw/zinc/43/74/99/533437499.db2.gz OVJOBSANLAQIIK-MLGOLLRUSA-N 2 2 289.398 3.126 20 30 CGEDLP C=C(Cl)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282170015 392283182 /nfs/dbraw/zinc/28/31/82/392283182.db2.gz UZIZZBBURQQPAU-ZDUSSCGKSA-N 2 2 279.815 3.151 20 30 CGEDLP C=C(Cl)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282170015 392283189 /nfs/dbraw/zinc/28/31/89/392283189.db2.gz UZIZZBBURQQPAU-ZDUSSCGKSA-N 2 2 279.815 3.151 20 30 CGEDLP C=CC[NH+](CC=C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346225132 393079989 /nfs/dbraw/zinc/07/99/89/393079989.db2.gz VVBYDQPLWYCXHA-UHFFFAOYSA-N 2 2 259.378 3.108 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000278315026 393317685 /nfs/dbraw/zinc/31/76/85/393317685.db2.gz UIWAOHNOEBDYIK-RCCFBDPRSA-N 2 2 283.419 3.226 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000278315026 393317691 /nfs/dbraw/zinc/31/76/91/393317691.db2.gz UIWAOHNOEBDYIK-RCCFBDPRSA-N 2 2 283.419 3.226 20 30 CGEDLP C=CCC[C@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000680465000 543711628 /nfs/dbraw/zinc/71/16/28/543711628.db2.gz GWKKXLCNCQZKOR-AWEZNQCLSA-N 2 2 257.381 3.130 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(F)c(F)c2F)CC1 ZINC000657353543 419257276 /nfs/dbraw/zinc/25/72/76/419257276.db2.gz RIEASAAYFCAHDS-UHFFFAOYSA-N 2 2 298.352 3.234 20 30 CGEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000658007897 419491669 /nfs/dbraw/zinc/49/16/69/419491669.db2.gz YGUWSUQQGZUSRM-GOEBONIOSA-N 2 2 273.424 3.444 20 30 CGEDLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@H+](Cc2ccccc2)C1 ZINC000425346650 264018398 /nfs/dbraw/zinc/01/83/98/264018398.db2.gz BYNIRODQXHVVQD-KANFNMMFSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000425346650 264018400 /nfs/dbraw/zinc/01/84/00/264018400.db2.gz BYNIRODQXHVVQD-KANFNMMFSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000366822127 265015784 /nfs/dbraw/zinc/01/57/84/265015784.db2.gz IZVHXTHRSKLKDV-NVXWUHKLSA-N 2 2 283.419 3.105 20 30 CGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000366822127 265015787 /nfs/dbraw/zinc/01/57/87/265015787.db2.gz IZVHXTHRSKLKDV-NVXWUHKLSA-N 2 2 283.419 3.105 20 30 CGEDLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000418144697 267364771 /nfs/dbraw/zinc/36/47/71/267364771.db2.gz UTOHZKINNOPBPT-RDJZCZTQSA-N 2 2 289.467 3.313 20 30 CGEDLP C=CCCCCC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373277809 267659189 /nfs/dbraw/zinc/65/91/89/267659189.db2.gz IRPYGGGQRVFPSE-HNNXBMFYSA-N 2 2 261.413 3.346 20 30 CGEDLP C=CCCCCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373277809 267659191 /nfs/dbraw/zinc/65/91/91/267659191.db2.gz IRPYGGGQRVFPSE-HNNXBMFYSA-N 2 2 261.413 3.346 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000268885145 275427507 /nfs/dbraw/zinc/42/75/07/275427507.db2.gz NPJCCKBWZXXXGE-KRWDZBQOSA-N 2 2 274.383 3.053 20 30 CGEDLP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449136038 327059930 /nfs/dbraw/zinc/05/99/30/327059930.db2.gz TWQPKAJNUGOGFU-JUVOFCAFSA-N 2 2 277.456 3.311 20 30 CGEDLP CC1(C#N)CCC(Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)CC1 ZINC000560144966 327286888 /nfs/dbraw/zinc/28/68/88/327286888.db2.gz GPIWFMKZTGBBDF-UHFFFAOYSA-N 2 2 295.390 3.211 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)C[C@@H]2CC)CC1 ZINC000246872624 327442614 /nfs/dbraw/zinc/44/26/14/327442614.db2.gz STQBIJXCANKLEP-YQQAZPJKSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CCOc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000271193285 330077955 /nfs/dbraw/zinc/07/79/55/330077955.db2.gz NLEPIZFJXAQPPI-UHFFFAOYSA-N 2 2 297.402 3.354 20 30 CGEDLP C=CC(C)(C)C[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423148964 330172752 /nfs/dbraw/zinc/17/27/52/330172752.db2.gz HAWCWWVALJUZJQ-DLBZAZTESA-N 2 2 288.435 3.290 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1CC ZINC000423500205 330208273 /nfs/dbraw/zinc/20/82/73/330208273.db2.gz KEMKEYCPKCSMRR-ZQIUZPCESA-N 2 2 260.425 3.439 20 30 CGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459735465 331296870 /nfs/dbraw/zinc/29/68/70/331296870.db2.gz SYLMASJVZZJCIK-DOTOQJQBSA-N 2 2 285.435 3.036 20 30 CGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459735465 331296871 /nfs/dbraw/zinc/29/68/71/331296871.db2.gz SYLMASJVZZJCIK-DOTOQJQBSA-N 2 2 285.435 3.036 20 30 CGEDLP C#C[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000491618316 332244676 /nfs/dbraw/zinc/24/46/76/332244676.db2.gz CDMXBGPWJSOTPY-INIZCTEOSA-N 2 2 290.838 3.306 20 30 CGEDLP C#C[C@H]([NH2+]CCCc1c[nH+]ccc1C)c1ccc(F)cc1 ZINC000491662682 332272289 /nfs/dbraw/zinc/27/22/89/332272289.db2.gz OTQWCEBXYLJWOQ-SFHVURJKSA-N 2 2 282.362 3.426 20 30 CGEDLP C#C[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(Cl)cc1 ZINC000491778089 332343415 /nfs/dbraw/zinc/34/34/15/332343415.db2.gz FKVZHXQVUZDBHX-QGZVFWFLSA-N 2 2 290.838 3.477 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000106245985 526604398 /nfs/dbraw/zinc/60/43/98/526604398.db2.gz CNLQYLRMQHQMSN-UHFFFAOYSA-N 2 2 278.827 3.470 20 30 CGEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccco1 ZINC000353533971 527487026 /nfs/dbraw/zinc/48/70/26/527487026.db2.gz YKVNZIPDBIWYRH-KFWWJZLASA-N 2 2 262.397 3.359 20 30 CGEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccco1 ZINC000353533971 527487029 /nfs/dbraw/zinc/48/70/29/527487029.db2.gz YKVNZIPDBIWYRH-KFWWJZLASA-N 2 2 262.397 3.359 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000924984200 619475800 /nfs/dbraw/zinc/47/58/00/619475800.db2.gz PJAQRYAMMXGTSD-VQIMIIECSA-N 2 2 299.462 3.033 20 30 CGEDLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000895376243 619815720 /nfs/dbraw/zinc/81/57/20/619815720.db2.gz GRQWWOQEAIYUKC-XJKSGUPXSA-N 2 2 291.464 3.172 20 30 CGEDLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000895376243 619815723 /nfs/dbraw/zinc/81/57/23/619815723.db2.gz GRQWWOQEAIYUKC-XJKSGUPXSA-N 2 2 291.464 3.172 20 30 CGEDLP CC(C)[NH+](CCC[NH2+]Cc1csc(C#N)c1)C(C)C ZINC000921806961 625883403 /nfs/dbraw/zinc/88/34/03/625883403.db2.gz SPTLRIBBGSUYGY-UHFFFAOYSA-N 2 2 279.453 3.218 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(OCC)c2)CC1 ZINC000765834196 627274265 /nfs/dbraw/zinc/27/42/65/627274265.db2.gz QPCCDOSKTGITPG-OAHLLOKOSA-N 2 2 288.435 3.386 20 30 CGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC3CCC3)CC2)cc1 ZINC000776170844 628175313 /nfs/dbraw/zinc/17/53/13/628175313.db2.gz QJTQVMFTFLKBTJ-UHFFFAOYSA-N 2 2 297.446 3.302 20 30 CGEDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000795798177 629716688 /nfs/dbraw/zinc/71/66/88/629716688.db2.gz ZESLMLVTTWPGQL-BEFAXECRSA-N 2 2 297.446 3.400 20 30 CGEDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000795798177 629716689 /nfs/dbraw/zinc/71/66/89/629716689.db2.gz ZESLMLVTTWPGQL-BEFAXECRSA-N 2 2 297.446 3.400 20 30 CGEDLP CCOc1ccc(/C=[NH+]/C2CCC([NH+](C)C)CC2)c(O)c1 ZINC000817708211 632202500 /nfs/dbraw/zinc/20/25/00/632202500.db2.gz VMLKPEJBMSYMDP-LDADJPATSA-N 2 2 290.407 3.083 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(C)c2)CC1 ZINC000866260435 633048679 /nfs/dbraw/zinc/04/86/79/633048679.db2.gz GZUSPHVUVZYSCD-INIZCTEOSA-N 2 2 272.436 3.166 20 30 CGEDLP C#CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000829810538 633792885 /nfs/dbraw/zinc/79/28/85/633792885.db2.gz QVNJDEIVVVGHPM-QGZVFWFLSA-N 2 2 293.414 3.416 20 30 CGEDLP C#CC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000829810538 633792891 /nfs/dbraw/zinc/79/28/91/633792891.db2.gz QVNJDEIVVVGHPM-QGZVFWFLSA-N 2 2 293.414 3.416 20 30 CGEDLP C=CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000883223500 636595136 /nfs/dbraw/zinc/59/51/36/636595136.db2.gz QHJMWJCRJPKHCQ-IAGOWNOFSA-N 2 2 295.430 3.434 20 30 CGEDLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000886708000 637665841 /nfs/dbraw/zinc/66/58/41/637665841.db2.gz ZSXUPCYOWWPGHS-UHFFFAOYSA-N 2 2 283.419 3.009 20 30 CGEDLP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926316097 638762372 /nfs/dbraw/zinc/76/23/72/638762372.db2.gz MPIYBFGKZWBGRE-GBESFXJTSA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926316097 638762375 /nfs/dbraw/zinc/76/23/75/638762375.db2.gz MPIYBFGKZWBGRE-GBESFXJTSA-N 2 2 295.430 3.152 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC001252979383 806145415 /nfs/dbraw/zinc/14/54/15/806145415.db2.gz BJAMXKZNVLIGME-KRWDZBQOSA-N 2 2 295.471 3.364 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398038979 799525555 /nfs/dbraw/zinc/52/55/55/799525555.db2.gz RAUIRGBXMFZUHX-KBAYOESNSA-N 2 2 285.435 3.179 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398038979 799525559 /nfs/dbraw/zinc/52/55/59/799525559.db2.gz RAUIRGBXMFZUHX-KBAYOESNSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000450750396 799625478 /nfs/dbraw/zinc/62/54/78/799625478.db2.gz AUYZGCAGEAYKFE-WMZOPIPTSA-N 2 2 297.446 3.180 20 30 CGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000450750396 799625479 /nfs/dbraw/zinc/62/54/79/799625479.db2.gz AUYZGCAGEAYKFE-WMZOPIPTSA-N 2 2 297.446 3.180 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@H+](CCC)[C@H]1CC[NH2+]C1 ZINC001246053549 804104757 /nfs/dbraw/zinc/10/47/57/804104757.db2.gz SGDZOAWJLIIHEH-IRXDYDNUSA-N 2 2 284.488 3.172 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@@H+](CCC)[C@H]1CC[NH2+]C1 ZINC001246053549 804104762 /nfs/dbraw/zinc/10/47/62/804104762.db2.gz SGDZOAWJLIIHEH-IRXDYDNUSA-N 2 2 284.488 3.172 20 30 CGEDLP CCCCCCCCC[C@H](C)[NH2+][C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001246296490 804264468 /nfs/dbraw/zinc/26/44/68/804264468.db2.gz RTIMMKVMXHRVGQ-YESZJQIVSA-N 2 2 284.488 3.482 20 30 CGEDLP CCCC[N@H+](CCC#N)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246770944 804503457 /nfs/dbraw/zinc/50/34/57/804503457.db2.gz SZLYKIICXSQMHL-MOPGFXCFSA-N 2 2 299.462 3.365 20 30 CGEDLP CCCC[N@@H+](CCC#N)[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246770944 804503461 /nfs/dbraw/zinc/50/34/61/804503461.db2.gz SZLYKIICXSQMHL-MOPGFXCFSA-N 2 2 299.462 3.365 20 30 CGEDLP C=CCC[C@H](C)N(c1cc[nH+]cc1F)C1CC[NH2+]CC1 ZINC001258736568 807581764 /nfs/dbraw/zinc/58/17/64/807581764.db2.gz WILMURYFXHQPDP-ZDUSSCGKSA-N 2 2 277.387 3.134 20 30 CGEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccc(C#N)cc3)CC1)C2 ZINC001172109243 808178231 /nfs/dbraw/zinc/17/82/31/808178231.db2.gz IXAOKJAXJVGTSS-BCDXTJNWSA-N 2 2 295.430 3.152 20 30 CGEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]C1(c3ccc(C#N)cc3)CC1)C2 ZINC001172109243 808178234 /nfs/dbraw/zinc/17/82/34/808178234.db2.gz IXAOKJAXJVGTSS-BCDXTJNWSA-N 2 2 295.430 3.152 20 30 CGEDLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001204372410 812623267 /nfs/dbraw/zinc/62/32/67/812623267.db2.gz DPWFZSQYXNFSSN-OALUTQOASA-N 2 2 297.446 3.397 20 30 CGEDLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001204372410 812623270 /nfs/dbraw/zinc/62/32/70/812623270.db2.gz DPWFZSQYXNFSSN-OALUTQOASA-N 2 2 297.446 3.397 20 30 CGEDLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001204372410 812623275 /nfs/dbraw/zinc/62/32/75/812623275.db2.gz DPWFZSQYXNFSSN-OALUTQOASA-N 2 2 297.446 3.397 20 30 CGEDLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001204372410 812623279 /nfs/dbraw/zinc/62/32/79/812623279.db2.gz DPWFZSQYXNFSSN-OALUTQOASA-N 2 2 297.446 3.397 20 30 CGEDLP C=CCOc1cccc(C[NH+]2CCC([N@@H+](C)CC)CC2)c1 ZINC001231623927 818139506 /nfs/dbraw/zinc/13/95/06/818139506.db2.gz BNOAPJKMERRZSY-UHFFFAOYSA-N 2 2 288.435 3.168 20 30 CGEDLP C=CCOc1cccc(C[NH+]2CCC([N@H+](C)CC)CC2)c1 ZINC001231623927 818139509 /nfs/dbraw/zinc/13/95/09/818139509.db2.gz BNOAPJKMERRZSY-UHFFFAOYSA-N 2 2 288.435 3.168 20 30 CGEDLP CC(C)[N@H+](Cc1ccccc1CC#N)C1CC[NH+](C)CC1 ZINC001235526701 819116540 /nfs/dbraw/zinc/11/65/40/819116540.db2.gz FRPZAYDPPXVZLX-UHFFFAOYSA-N 2 2 285.435 3.057 20 30 CGEDLP CC(C)[N@@H+](Cc1ccccc1CC#N)C1CC[NH+](C)CC1 ZINC001235526701 819116543 /nfs/dbraw/zinc/11/65/43/819116543.db2.gz FRPZAYDPPXVZLX-UHFFFAOYSA-N 2 2 285.435 3.057 20 30 CGEDLP C#CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236918394 819637234 /nfs/dbraw/zinc/63/72/34/819637234.db2.gz KEBRXMJVMDYLSF-UHFFFAOYSA-N 2 2 299.805 3.371 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)C1 ZINC001461029909 937559916 /nfs/dbraw/zinc/55/99/16/937559916.db2.gz JLDHOXWEUKVASE-XHSDSOJGSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC001473981692 937833619 /nfs/dbraw/zinc/83/36/19/937833619.db2.gz NWFJTDCQVXLYDR-UHFFFAOYSA-N 2 2 288.366 3.312 20 30 CGEDLP C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000651677880 398267910 /nfs/dbraw/zinc/26/79/10/398267910.db2.gz YDCQQSPLEJVJMD-DOTOQJQBSA-N 2 2 285.435 3.385 20 30 CGEDLP C=CC[C@H]1CC[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000651750595 398281980 /nfs/dbraw/zinc/28/19/80/398281980.db2.gz OUOUNRDMXPYVBC-GJZGRUSLSA-N 2 2 269.392 3.211 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)C[N@@H+]1C1CC1 ZINC000594514648 347185006 /nfs/dbraw/zinc/18/50/06/347185006.db2.gz KSZQABLXVUISRF-PBHICJAKSA-N 2 2 295.430 3.152 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)C[N@H+]1C1CC1 ZINC000594514648 347185009 /nfs/dbraw/zinc/18/50/09/347185009.db2.gz KSZQABLXVUISRF-PBHICJAKSA-N 2 2 295.430 3.152 20 30 CGEDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000595094101 347281987 /nfs/dbraw/zinc/28/19/87/347281987.db2.gz CMEJBWRLTQJXRJ-IEBWSBKVSA-N 2 2 297.446 3.400 20 30 CGEDLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000595094101 347281988 /nfs/dbraw/zinc/28/19/88/347281988.db2.gz CMEJBWRLTQJXRJ-IEBWSBKVSA-N 2 2 297.446 3.400 20 30 CGEDLP CC[N@H+](Cc1c[nH+]c(C)n1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000596984953 347524640 /nfs/dbraw/zinc/52/46/40/347524640.db2.gz YPNOEDUBAMDPQP-ZDUSSCGKSA-N 2 2 282.391 3.183 20 30 CGEDLP CC[N@@H+](Cc1c[nH+]c(C)n1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000596984953 347524643 /nfs/dbraw/zinc/52/46/43/347524643.db2.gz YPNOEDUBAMDPQP-ZDUSSCGKSA-N 2 2 282.391 3.183 20 30 CGEDLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C[NH2+]1 ZINC000600711145 347829597 /nfs/dbraw/zinc/82/95/97/347829597.db2.gz RGOCLPVLUKMBNV-SKDZVZGDSA-N 2 2 283.419 3.056 20 30 CGEDLP CCC1([NH+]2CCCC2)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000602731897 348020054 /nfs/dbraw/zinc/02/00/54/348020054.db2.gz CVAKGYNPODVPHP-UHFFFAOYSA-N 2 2 297.446 3.399 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000602548654 347979924 /nfs/dbraw/zinc/97/99/24/347979924.db2.gz USNXWRNQGIPTEZ-WMZOPIPTSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000602548654 347979927 /nfs/dbraw/zinc/97/99/27/347979927.db2.gz USNXWRNQGIPTEZ-WMZOPIPTSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000602548649 347979995 /nfs/dbraw/zinc/97/99/95/347979995.db2.gz USNXWRNQGIPTEZ-AEFFLSMTSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000602548649 347979998 /nfs/dbraw/zinc/97/99/98/347979998.db2.gz USNXWRNQGIPTEZ-AEFFLSMTSA-N 2 2 285.435 3.180 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000611392862 348445223 /nfs/dbraw/zinc/44/52/23/348445223.db2.gz RELLGEIURRZRIJ-MJGOQNOKSA-N 2 2 295.430 3.010 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000611392862 348445224 /nfs/dbraw/zinc/44/52/24/348445224.db2.gz RELLGEIURRZRIJ-MJGOQNOKSA-N 2 2 295.430 3.010 20 30 CGEDLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000618568471 349107545 /nfs/dbraw/zinc/10/75/45/349107545.db2.gz WFLNRPWLOVZDIV-ZWKOTPCHSA-N 2 2 283.419 3.083 20 30 CGEDLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000618568471 349107547 /nfs/dbraw/zinc/10/75/47/349107547.db2.gz WFLNRPWLOVZDIV-ZWKOTPCHSA-N 2 2 283.419 3.083 20 30 CGEDLP C=CCC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000178755631 189143328 /nfs/dbraw/zinc/14/33/28/189143328.db2.gz HOOGMYJPEAMPSU-INIZCTEOSA-N 2 2 255.365 3.180 20 30 CGEDLP C=CCC[C@@H]([NH2+]CCCNc1cccc[nH+]1)C1CC1 ZINC000121578201 370875302 /nfs/dbraw/zinc/87/53/02/370875302.db2.gz FRXTYNCKFQJNTG-OAHLLOKOSA-N 2 2 259.397 3.218 20 30 CGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000129223199 370978820 /nfs/dbraw/zinc/97/88/20/370978820.db2.gz KMSHRZCDJBVRJH-CQSZACIVSA-N 2 2 289.448 3.070 20 30 CGEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000129223199 370978822 /nfs/dbraw/zinc/97/88/22/370978822.db2.gz KMSHRZCDJBVRJH-CQSZACIVSA-N 2 2 289.448 3.070 20 30 CGEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)CCC2 ZINC000331762728 204133831 /nfs/dbraw/zinc/13/38/31/204133831.db2.gz FLJKKIZJENYOCO-PBHICJAKSA-N 2 2 294.402 3.291 20 30 CGEDLP N#Cc1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000344102555 217052133 /nfs/dbraw/zinc/05/21/33/217052133.db2.gz FRNYYNICMUXJED-UHFFFAOYSA-N 2 2 294.383 3.095 20 30 CGEDLP CC(C)(CCC#N)C[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000444016503 373166971 /nfs/dbraw/zinc/16/69/71/373166971.db2.gz ZSXVZGTYQPTDCR-UHFFFAOYSA-N 2 2 265.445 3.028 20 30 CGEDLP CC(C)(CCC#N)C[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000444016503 373166976 /nfs/dbraw/zinc/16/69/76/373166976.db2.gz ZSXVZGTYQPTDCR-UHFFFAOYSA-N 2 2 265.445 3.028 20 30 CGEDLP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+](CC=C)CC1 ZINC000449120044 373664264 /nfs/dbraw/zinc/66/42/64/373664264.db2.gz BVWPJLOIWSHDBU-OAHLLOKOSA-N 2 2 250.430 3.361 20 30 CGEDLP C=C(C)[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000186455174 374855472 /nfs/dbraw/zinc/85/54/72/374855472.db2.gz GHVIMEIEWSAEFC-INIZCTEOSA-N 2 2 280.362 3.266 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000248990148 377440552 /nfs/dbraw/zinc/44/05/52/377440552.db2.gz NDUDZBKMKNTMOJ-YSHGAJCASA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000248990148 377440557 /nfs/dbraw/zinc/44/05/57/377440557.db2.gz NDUDZBKMKNTMOJ-YSHGAJCASA-N 2 2 297.446 3.321 20 30 CGEDLP N#CC1(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000411390966 380141827 /nfs/dbraw/zinc/14/18/27/380141827.db2.gz PEMRMTUPBBXSQK-HNNXBMFYSA-N 2 2 286.423 3.453 20 30 CGEDLP N#CC1(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000411390966 380141835 /nfs/dbraw/zinc/14/18/35/380141835.db2.gz PEMRMTUPBBXSQK-HNNXBMFYSA-N 2 2 286.423 3.453 20 30 CGEDLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(C#N)cc1F ZINC000423266472 533537108 /nfs/dbraw/zinc/53/71/08/533537108.db2.gz SCXRLDMAGYDMOQ-SJKOYZFVSA-N 2 2 289.398 3.256 20 30 CGEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553821 392767266 /nfs/dbraw/zinc/76/72/66/392767266.db2.gz KFRCFUDAHMSAQV-KRWDZBQOSA-N 2 2 286.419 3.016 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2scnc2C2CC2)CC1 ZINC000487290956 542710758 /nfs/dbraw/zinc/71/07/58/542710758.db2.gz UHWDELSXLSUUFX-UHFFFAOYSA-N 2 2 291.464 3.151 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[N@@H+]1C1CC1 ZINC000341710003 392991390 /nfs/dbraw/zinc/99/13/90/392991390.db2.gz TVIFCXCMAYDLBK-ACWOFJMJSA-N 2 2 295.430 3.150 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[N@H+]1C1CC1 ZINC000341710003 392991395 /nfs/dbraw/zinc/99/13/95/392991395.db2.gz TVIFCXCMAYDLBK-ACWOFJMJSA-N 2 2 295.430 3.150 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000677131212 543434736 /nfs/dbraw/zinc/43/47/36/543434736.db2.gz OJLKAIGQLLITOG-QGZVFWFLSA-N 2 2 292.373 3.192 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000192741535 227285636 /nfs/dbraw/zinc/28/56/36/227285636.db2.gz JBMLFHOMCIVVNL-ZIAGYGMSSA-N 2 2 282.391 3.167 20 30 CGEDLP C=CCCC1(C[NH2+]Cc2c[nH+]c(C)n2C)CCCC1 ZINC000657566936 419307472 /nfs/dbraw/zinc/30/74/72/419307472.db2.gz FBJACCVDTPKDMG-UHFFFAOYSA-N 2 2 261.413 3.345 20 30 CGEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000657835689 419379576 /nfs/dbraw/zinc/37/95/76/419379576.db2.gz QJBUMBRQVYJEBN-NVXWUHKLSA-N 2 2 287.451 3.486 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000365043760 262268109 /nfs/dbraw/zinc/26/81/09/262268109.db2.gz LLEUJYYVJFNHES-MRXNPFEDSA-N 2 2 289.398 3.072 20 30 CGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340441815 263150281 /nfs/dbraw/zinc/15/02/81/263150281.db2.gz DPGFBXQSPUEOLD-ATZDWAIDSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000340441815 263150282 /nfs/dbraw/zinc/15/02/82/263150282.db2.gz DPGFBXQSPUEOLD-ATZDWAIDSA-N 2 2 297.446 3.494 20 30 CGEDLP C=CCC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CC1 ZINC000120052272 263281877 /nfs/dbraw/zinc/28/18/77/263281877.db2.gz SJZVHSXSABGYMB-INIZCTEOSA-N 2 2 269.392 3.211 20 30 CGEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423563841 294948357 /nfs/dbraw/zinc/94/83/57/294948357.db2.gz RNIQMPHLIDMROZ-AEFFLSMTSA-N 2 2 283.419 3.057 20 30 CGEDLP C=CCCCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000571511040 328129408 /nfs/dbraw/zinc/12/94/08/328129408.db2.gz LTTMMZUIXLXDMZ-MRXNPFEDSA-N 2 2 250.430 3.293 20 30 CGEDLP C=CCCCC[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000571511040 328129410 /nfs/dbraw/zinc/12/94/10/328129410.db2.gz LTTMMZUIXLXDMZ-MRXNPFEDSA-N 2 2 250.430 3.293 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000093944802 328516094 /nfs/dbraw/zinc/51/60/94/328516094.db2.gz YOYRSLBXCVYNSX-OAHLLOKOSA-N 2 2 287.451 3.054 20 30 CGEDLP C[C@@H](C#N)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000560116509 327284789 /nfs/dbraw/zinc/28/47/89/327284789.db2.gz IRWJVPRRRLYVKW-AWEZNQCLSA-N 2 2 279.472 3.415 20 30 CGEDLP C=CC(C)(C)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000527923231 330296011 /nfs/dbraw/zinc/29/60/11/330296011.db2.gz CUAJSGISDRCBQU-UHFFFAOYSA-N 2 2 273.424 3.242 20 30 CGEDLP C=CCC[C@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000120181755 330386092 /nfs/dbraw/zinc/38/60/92/330386092.db2.gz DDIRONVTWXCNCC-ZBFHGGJFSA-N 2 2 250.430 3.053 20 30 CGEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000120181755 330386093 /nfs/dbraw/zinc/38/60/93/330386093.db2.gz DDIRONVTWXCNCC-ZBFHGGJFSA-N 2 2 250.430 3.053 20 30 CGEDLP C=CCC[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)C1CC1 ZINC000453402814 331128949 /nfs/dbraw/zinc/12/89/49/331128949.db2.gz PVQVEFNYYAWQJN-OAHLLOKOSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCC[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C1CC1 ZINC000453402814 331128950 /nfs/dbraw/zinc/12/89/50/331128950.db2.gz PVQVEFNYYAWQJN-OAHLLOKOSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000474710778 331595493 /nfs/dbraw/zinc/59/54/93/331595493.db2.gz QLLBYGKLOQDULX-NVXWUHKLSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000353546177 526452112 /nfs/dbraw/zinc/45/21/12/526452112.db2.gz OKUXDIXWARWSOR-QGZVFWFLSA-N 2 2 291.414 3.158 20 30 CGEDLP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000192746813 619121559 /nfs/dbraw/zinc/12/15/59/619121559.db2.gz VPVOBBOXDPZNOT-JKSUJKDBSA-N 2 2 280.375 3.044 20 30 CGEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000922235106 625988115 /nfs/dbraw/zinc/98/81/15/625988115.db2.gz RPPBFOGGFNFVJK-MRXNPFEDSA-N 2 2 285.435 3.138 20 30 CGEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000922235106 625988117 /nfs/dbraw/zinc/98/81/17/625988117.db2.gz RPPBFOGGFNFVJK-MRXNPFEDSA-N 2 2 285.435 3.138 20 30 CGEDLP C=CC[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000878403147 635491163 /nfs/dbraw/zinc/49/11/63/635491163.db2.gz VRYDXTPVOCUJDJ-OAHLLOKOSA-N 2 2 261.413 3.340 20 30 CGEDLP CCOc1ccc(/C=[NH+]\CCCC[N@H+](C)C2CC2)c(O)c1 ZINC000840708410 635037978 /nfs/dbraw/zinc/03/79/78/635037978.db2.gz APYLQZRKPNEBFP-AQTBWJFISA-N 2 2 290.407 3.084 20 30 CGEDLP CCOc1ccc(/C=[NH+]\CCCC[N@@H+](C)C2CC2)c(O)c1 ZINC000840708410 635037980 /nfs/dbraw/zinc/03/79/80/635037980.db2.gz APYLQZRKPNEBFP-AQTBWJFISA-N 2 2 290.407 3.084 20 30 CGEDLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1(C#N)CCCCC1 ZINC000880142622 635924647 /nfs/dbraw/zinc/92/46/47/635924647.db2.gz RFLJBFKTPRKDKA-JKSUJKDBSA-N 2 2 275.440 3.019 20 30 CGEDLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1(C#N)CCCCC1 ZINC000880142622 635924651 /nfs/dbraw/zinc/92/46/51/635924651.db2.gz RFLJBFKTPRKDKA-JKSUJKDBSA-N 2 2 275.440 3.019 20 30 CGEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1(C#N)CCCCC1 ZINC000880142622 635924654 /nfs/dbraw/zinc/92/46/54/635924654.db2.gz RFLJBFKTPRKDKA-JKSUJKDBSA-N 2 2 275.440 3.019 20 30 CGEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1(C#N)CCCCC1 ZINC000880142622 635924659 /nfs/dbraw/zinc/92/46/59/635924659.db2.gz RFLJBFKTPRKDKA-JKSUJKDBSA-N 2 2 275.440 3.019 20 30 CGEDLP CCCCCCC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880208651 635938561 /nfs/dbraw/zinc/93/85/61/635938561.db2.gz ULVIIXIAURUSDL-KRWDZBQOSA-N 2 2 282.472 3.190 20 30 CGEDLP CCCCCCC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880208651 635938563 /nfs/dbraw/zinc/93/85/63/635938563.db2.gz ULVIIXIAURUSDL-KRWDZBQOSA-N 2 2 282.472 3.190 20 30 CGEDLP C[NH+](C)[C@H]1C[C@@H](C/[NH+]=C/c2c(O)ccc3ccccc32)C1 ZINC000846757164 636231163 /nfs/dbraw/zinc/23/11/63/636231163.db2.gz ULKWVXFKAPABOU-CGBMNCEASA-N 2 2 282.387 3.305 20 30 CGEDLP C=CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000883218363 636592915 /nfs/dbraw/zinc/59/29/15/636592915.db2.gz YXRGMKFRBKZAJA-MSOLQXFVSA-N 2 2 295.430 3.365 20 30 CGEDLP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000192746823 640402496 /nfs/dbraw/zinc/40/24/96/640402496.db2.gz VPVOBBOXDPZNOT-HOTGVXAUSA-N 2 2 280.375 3.044 20 30 CGEDLP N#CCC1([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC001256604716 806924169 /nfs/dbraw/zinc/92/41/69/806924169.db2.gz QEUKYVJDIIUNSM-UHFFFAOYSA-N 2 2 297.446 3.467 20 30 CGEDLP Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1C#N ZINC001244494557 803402507 /nfs/dbraw/zinc/40/25/07/803402507.db2.gz ZLVMWAFYZDGRMN-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1C#N ZINC001244494557 803402512 /nfs/dbraw/zinc/40/25/12/803402512.db2.gz ZLVMWAFYZDGRMN-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP C=C(C)COc1ccccc1C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001138665614 803997818 /nfs/dbraw/zinc/99/78/18/803997818.db2.gz AJUXKDMJHWHUOE-UHFFFAOYSA-N 2 2 299.418 3.360 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246032915 804102956 /nfs/dbraw/zinc/10/29/56/804102956.db2.gz MVEDLOSTMAIJHQ-MSOLQXFVSA-N 2 2 294.483 3.092 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246032915 804102964 /nfs/dbraw/zinc/10/29/64/804102964.db2.gz MVEDLOSTMAIJHQ-MSOLQXFVSA-N 2 2 294.483 3.092 20 30 CGEDLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001140028410 804354247 /nfs/dbraw/zinc/35/42/47/804354247.db2.gz VIRGMZHVNUHYFF-MRXNPFEDSA-N 2 2 294.402 3.306 20 30 CGEDLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001140028410 804354256 /nfs/dbraw/zinc/35/42/56/804354256.db2.gz VIRGMZHVNUHYFF-MRXNPFEDSA-N 2 2 294.402 3.306 20 30 CGEDLP CCCCCCC[C@@H](CC)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246549539 804399233 /nfs/dbraw/zinc/39/92/33/804399233.db2.gz MKCBOJWUMRJSNH-HZPDHXFCSA-N 2 2 270.461 3.046 20 30 CGEDLP CCCCCCC[C@@H](CC)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246549539 804399242 /nfs/dbraw/zinc/39/92/42/804399242.db2.gz MKCBOJWUMRJSNH-HZPDHXFCSA-N 2 2 270.461 3.046 20 30 CGEDLP CC[C@@H]1CC([N@H+](CCC#N)C2CCCC2)C[C@@H](CC)[NH2+]1 ZINC001246768676 804503288 /nfs/dbraw/zinc/50/32/88/804503288.db2.gz GDZSWPJFMNPQLZ-HUUCEWRRSA-N 2 2 277.456 3.454 20 30 CGEDLP CC[C@@H]1CC([N@@H+](CCC#N)C2CCCC2)C[C@@H](CC)[NH2+]1 ZINC001246768676 804503294 /nfs/dbraw/zinc/50/32/94/804503294.db2.gz GDZSWPJFMNPQLZ-HUUCEWRRSA-N 2 2 277.456 3.454 20 30 CGEDLP C[C@H]1C[NH2+]CCC[C@H]1CNc1[nH+]ccc2ccc(C#N)cc21 ZINC001155024354 805524935 /nfs/dbraw/zinc/52/49/35/805524935.db2.gz HGDQZXHWGYIVPZ-BBRMVZONSA-N 2 2 294.402 3.154 20 30 CGEDLP CCCCCCCCCC[C@H](C)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001257548250 807195630 /nfs/dbraw/zinc/19/56/30/807195630.db2.gz UTWLUJBEZACYFY-ARFHVFGLSA-N 2 2 270.461 3.221 20 30 CGEDLP C[C@@H]1CC([NH+]2CC(CC#N)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168041278 807303381 /nfs/dbraw/zinc/30/33/81/807303381.db2.gz RKUMPFNQWJDWJK-HZPDHXFCSA-N 2 2 297.446 3.273 20 30 CGEDLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@](C)(C#N)CC(C)C ZINC001258908398 807672259 /nfs/dbraw/zinc/67/22/59/807672259.db2.gz YYDIWXLQZUDVJR-CVEARBPZSA-N 2 2 267.461 3.415 20 30 CGEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001172300988 808220794 /nfs/dbraw/zinc/22/07/94/808220794.db2.gz JEDKRCGYQWIKII-IAGOWNOFSA-N 2 2 299.462 3.199 20 30 CGEDLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001204372422 812623372 /nfs/dbraw/zinc/62/33/72/812623372.db2.gz DPWFZSQYXNFSSN-RBUKOAKNSA-N 2 2 297.446 3.397 20 30 CGEDLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccccc1C#N ZINC001204372422 812623378 /nfs/dbraw/zinc/62/33/78/812623378.db2.gz DPWFZSQYXNFSSN-RBUKOAKNSA-N 2 2 297.446 3.397 20 30 CGEDLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC001204372422 812623380 /nfs/dbraw/zinc/62/33/80/812623380.db2.gz DPWFZSQYXNFSSN-RBUKOAKNSA-N 2 2 297.446 3.397 20 30 CGEDLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccccc1C#N ZINC001204372422 812623384 /nfs/dbraw/zinc/62/33/84/812623384.db2.gz DPWFZSQYXNFSSN-RBUKOAKNSA-N 2 2 297.446 3.397 20 30 CGEDLP C#CCCCCCC[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC001206629637 813380200 /nfs/dbraw/zinc/38/02/00/813380200.db2.gz WYEDIXNVNXDNKT-OAHLLOKOSA-N 2 2 250.430 3.033 20 30 CGEDLP C#CCCCCCC[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC001206629637 813380209 /nfs/dbraw/zinc/38/02/09/813380209.db2.gz WYEDIXNVNXDNKT-OAHLLOKOSA-N 2 2 250.430 3.033 20 30 CGEDLP C#Cc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001231663172 818153714 /nfs/dbraw/zinc/15/37/14/818153714.db2.gz KVPLMVGJXBTWDJ-SFHVURJKSA-N 2 2 292.382 3.025 20 30 CGEDLP C#Cc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001231663172 818153718 /nfs/dbraw/zinc/15/37/18/818153718.db2.gz KVPLMVGJXBTWDJ-SFHVURJKSA-N 2 2 292.382 3.025 20 30 CGEDLP CCCC[N@H+](CCC#N)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146849 818264474 /nfs/dbraw/zinc/26/44/74/818264474.db2.gz IOLFIKFPBGBPSQ-UHFFFAOYSA-N 2 2 291.414 3.403 20 30 CGEDLP CCCC[N@@H+](CCC#N)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146849 818264481 /nfs/dbraw/zinc/26/44/81/818264481.db2.gz IOLFIKFPBGBPSQ-UHFFFAOYSA-N 2 2 291.414 3.403 20 30 CGEDLP C[C@H](c1ccccc1)[N@@H+](Cc1ccc(C#N)cc1)C[C@H](C)[NH3+] ZINC001236142918 819344409 /nfs/dbraw/zinc/34/44/09/819344409.db2.gz DRBFDQJXVYZYCH-JKSUJKDBSA-N 2 2 293.414 3.469 20 30 CGEDLP C[C@H](c1ccccc1)[N@H+](Cc1ccc(C#N)cc1)C[C@H](C)[NH3+] ZINC001236142918 819344415 /nfs/dbraw/zinc/34/44/15/819344415.db2.gz DRBFDQJXVYZYCH-JKSUJKDBSA-N 2 2 293.414 3.469 20 30 CGEDLP C=CCCCCCC[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216458 819380012 /nfs/dbraw/zinc/38/00/12/819380012.db2.gz MKCKQOUHOKGRJU-INIZCTEOSA-N 2 2 250.430 3.339 20 30 CGEDLP C=CCCCCCC[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216458 819380015 /nfs/dbraw/zinc/38/00/15/819380015.db2.gz MKCKQOUHOKGRJU-INIZCTEOSA-N 2 2 250.430 3.339 20 30 CGEDLP C=CCCCCCCCC[N@@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001236334469 819427993 /nfs/dbraw/zinc/42/79/93/819427993.db2.gz QEDSQWQFYOTBQF-QGZVFWFLSA-N 2 2 282.472 3.213 20 30 CGEDLP C=CCCCCCCCC[N@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001236334469 819427998 /nfs/dbraw/zinc/42/79/98/819427998.db2.gz QEDSQWQFYOTBQF-QGZVFWFLSA-N 2 2 282.472 3.213 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CC)C1 ZINC001473998992 937834450 /nfs/dbraw/zinc/83/44/50/937834450.db2.gz HLFWNTHQCLZZEM-OWCLPIDISA-N 2 2 250.430 3.195 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001473998992 937834452 /nfs/dbraw/zinc/83/44/52/937834452.db2.gz HLFWNTHQCLZZEM-OWCLPIDISA-N 2 2 250.430 3.195 20 30 CGEDLP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593692307 347103925 /nfs/dbraw/zinc/10/39/25/347103925.db2.gz APKSBQPXRBFORO-DNVCBOLYSA-N 2 2 297.446 3.301 20 30 CGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C3CCCCC3)CC2)c1 ZINC000593687183 347103970 /nfs/dbraw/zinc/10/39/70/347103970.db2.gz DPPAVTHPOBGDSV-UHFFFAOYSA-N 2 2 297.446 3.445 20 30 CGEDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595057214 347272709 /nfs/dbraw/zinc/27/27/09/347272709.db2.gz VGPXNYAIWGFCHT-FUHWJXTLSA-N 2 2 297.446 3.398 20 30 CGEDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595057214 347272712 /nfs/dbraw/zinc/27/27/12/347272712.db2.gz VGPXNYAIWGFCHT-FUHWJXTLSA-N 2 2 297.446 3.398 20 30 CGEDLP C[C@]1(C#N)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000595841376 347365696 /nfs/dbraw/zinc/36/56/96/347365696.db2.gz LEOFHUQKVUZQFC-LJQANCHMSA-N 2 2 297.446 3.408 20 30 CGEDLP C[C@]1(C#N)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000595841376 347365700 /nfs/dbraw/zinc/36/57/00/347365700.db2.gz LEOFHUQKVUZQFC-LJQANCHMSA-N 2 2 297.446 3.408 20 30 CGEDLP CCc1ccc([C@H](C[NH2+]C[C@@H](C)CCC#N)[NH+](C)C)cc1 ZINC000602505187 347972387 /nfs/dbraw/zinc/97/23/87/347972387.db2.gz SZKLGWWOMWZUPR-YJBOKZPZSA-N 2 2 287.451 3.381 20 30 CGEDLP C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000602746454 348023335 /nfs/dbraw/zinc/02/33/35/348023335.db2.gz DSEHOMXBTIOFAH-SFHVURJKSA-N 2 2 297.446 3.014 20 30 CGEDLP C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000602746454 348023338 /nfs/dbraw/zinc/02/33/38/348023338.db2.gz DSEHOMXBTIOFAH-SFHVURJKSA-N 2 2 297.446 3.014 20 30 CGEDLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390927 348444647 /nfs/dbraw/zinc/44/46/47/348444647.db2.gz LLGYSDGQZRJFIV-SJLPKXTDSA-N 2 2 283.419 3.010 20 30 CGEDLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390927 348444648 /nfs/dbraw/zinc/44/46/48/348444648.db2.gz LLGYSDGQZRJFIV-SJLPKXTDSA-N 2 2 283.419 3.010 20 30 CGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000611438878 348452453 /nfs/dbraw/zinc/45/24/53/348452453.db2.gz ZKOSVYFVNJJHRS-OAHLLOKOSA-N 2 2 297.446 3.301 20 30 CGEDLP C=CC[C@H](C)[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000122174625 187019512 /nfs/dbraw/zinc/01/95/12/187019512.db2.gz FDBOZJJOWAIWSU-ZDUSSCGKSA-N 2 2 255.365 3.235 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000177909451 189078260 /nfs/dbraw/zinc/07/82/60/189078260.db2.gz YEWRHBPFNSINIQ-LBPRGKRZSA-N 2 2 280.362 3.266 20 30 CGEDLP C=CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cccs1 ZINC000163406957 372467629 /nfs/dbraw/zinc/46/76/29/372467629.db2.gz GZAHSMIYMOUZEK-AWEZNQCLSA-N 2 2 264.438 3.220 20 30 CGEDLP C=CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cccs1 ZINC000163406957 372467636 /nfs/dbraw/zinc/46/76/36/372467636.db2.gz GZAHSMIYMOUZEK-AWEZNQCLSA-N 2 2 264.438 3.220 20 30 CGEDLP C=CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccs1 ZINC000163406957 372467640 /nfs/dbraw/zinc/46/76/40/372467640.db2.gz GZAHSMIYMOUZEK-AWEZNQCLSA-N 2 2 264.438 3.220 20 30 CGEDLP C=CC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccs1 ZINC000163406957 372467649 /nfs/dbraw/zinc/46/76/49/372467649.db2.gz GZAHSMIYMOUZEK-AWEZNQCLSA-N 2 2 264.438 3.220 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000439077797 372973189 /nfs/dbraw/zinc/97/31/89/372973189.db2.gz NTMNURSJWTWKMM-ZOBUZTSGSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000439077797 372973195 /nfs/dbraw/zinc/97/31/95/372973195.db2.gz NTMNURSJWTWKMM-ZOBUZTSGSA-N 2 2 264.457 3.441 20 30 CGEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000442657871 373061735 /nfs/dbraw/zinc/06/17/35/373061735.db2.gz WBARFZYCHDBRJU-KBAYOESNSA-N 2 2 283.419 3.105 20 30 CGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1Cl ZINC000516082853 375817747 /nfs/dbraw/zinc/81/77/47/375817747.db2.gz FKFSCKDYJDHVOW-GXTWGEPZSA-N 2 2 294.826 3.216 20 30 CGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1Cl ZINC000516082853 375817752 /nfs/dbraw/zinc/81/77/52/375817752.db2.gz FKFSCKDYJDHVOW-GXTWGEPZSA-N 2 2 294.826 3.216 20 30 CGEDLP C=C(C)C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339659961 376790908 /nfs/dbraw/zinc/79/09/08/376790908.db2.gz FDIWZDMGLXACJO-HNNXBMFYSA-N 2 2 269.392 3.385 20 30 CGEDLP C=C(C)C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339659961 376790911 /nfs/dbraw/zinc/79/09/11/376790911.db2.gz FDIWZDMGLXACJO-HNNXBMFYSA-N 2 2 269.392 3.385 20 30 CGEDLP C=CCOc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1Cl ZINC000261701053 377841216 /nfs/dbraw/zinc/84/12/16/377841216.db2.gz IDBPMZDTKAPMOS-MRXNPFEDSA-N 2 2 294.826 3.076 20 30 CGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1Cl ZINC000261701053 377841222 /nfs/dbraw/zinc/84/12/22/377841222.db2.gz IDBPMZDTKAPMOS-MRXNPFEDSA-N 2 2 294.826 3.076 20 30 CGEDLP CC(C)C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC000343317068 377952025 /nfs/dbraw/zinc/95/20/25/377952025.db2.gz BUCMHDNGZYIXHD-UHFFFAOYSA-N 2 2 296.418 3.303 20 30 CGEDLP CC(C)C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC000343317068 377952029 /nfs/dbraw/zinc/95/20/29/377952029.db2.gz BUCMHDNGZYIXHD-UHFFFAOYSA-N 2 2 296.418 3.303 20 30 CGEDLP C=C(CC)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389813690 379902400 /nfs/dbraw/zinc/90/24/00/379902400.db2.gz HNIOKVWHVVWVQV-NVXWUHKLSA-N 2 2 258.409 3.063 20 30 CGEDLP C=C(CC)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389813690 379902402 /nfs/dbraw/zinc/90/24/02/379902402.db2.gz HNIOKVWHVVWVQV-NVXWUHKLSA-N 2 2 258.409 3.063 20 30 CGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000354204565 380362320 /nfs/dbraw/zinc/36/23/20/380362320.db2.gz FPJLZPRTKJRDSC-XJKSGUPXSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000354204565 380362325 /nfs/dbraw/zinc/36/23/25/380362325.db2.gz FPJLZPRTKJRDSC-XJKSGUPXSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000354204565 380362327 /nfs/dbraw/zinc/36/23/27/380362327.db2.gz FPJLZPRTKJRDSC-XJKSGUPXSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000354204565 380362332 /nfs/dbraw/zinc/36/23/32/380362332.db2.gz FPJLZPRTKJRDSC-XJKSGUPXSA-N 2 2 289.398 3.002 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC(C)C)c2ccncc2)CC1 ZINC000647288136 392638456 /nfs/dbraw/zinc/63/84/56/392638456.db2.gz NUTGQLSCOCFZNO-GOSISDBHSA-N 2 2 287.451 3.409 20 30 CGEDLP C=CCC[C@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364115 392708696 /nfs/dbraw/zinc/70/86/96/392708696.db2.gz SACVOHSWXBQYSM-ZDUSSCGKSA-N 2 2 257.381 3.130 20 30 CGEDLP C[NH+](C)[C@@H](C[NH2+]CC(C)(C)CCC#N)Cc1ccccc1 ZINC000343101073 393017975 /nfs/dbraw/zinc/01/79/75/393017975.db2.gz MRUCHUXNXNSRLP-QGZVFWFLSA-N 2 2 287.451 3.079 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000278715039 393323863 /nfs/dbraw/zinc/32/38/63/393323863.db2.gz LYCDFFFWPYMULM-XCRHUMRWSA-N 2 2 283.419 3.224 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000278715039 393323866 /nfs/dbraw/zinc/32/38/66/393323866.db2.gz LYCDFFFWPYMULM-XCRHUMRWSA-N 2 2 283.419 3.224 20 30 CGEDLP N#C[C@H]1CCC[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000192741521 227286418 /nfs/dbraw/zinc/28/64/18/227286418.db2.gz JBMLFHOMCIVVNL-KBPBESRZSA-N 2 2 282.391 3.167 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000106246165 260095379 /nfs/dbraw/zinc/09/53/79/260095379.db2.gz WCCQJHZRVOYWJA-UHFFFAOYSA-N 2 2 280.362 3.095 20 30 CGEDLP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000185797868 262071749 /nfs/dbraw/zinc/07/17/49/262071749.db2.gz GFHQTAHPFNLXGO-DZGCQCFKSA-N 2 2 298.365 3.183 20 30 CGEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000365043759 262268042 /nfs/dbraw/zinc/26/80/42/262268042.db2.gz LLEUJYYVJFNHES-INIZCTEOSA-N 2 2 289.398 3.072 20 30 CGEDLP N#Cc1cccc(C2([NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)CC2)c1 ZINC000572868807 322359161 /nfs/dbraw/zinc/35/91/61/322359161.db2.gz HTMWMFJNGHUXKR-ZWKOTPCHSA-N 2 2 289.382 3.282 20 30 CGEDLP C=CCOc1ccccc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422910907 330160199 /nfs/dbraw/zinc/16/01/99/330160199.db2.gz RUWZQCBPGPKIIV-MSOLQXFVSA-N 2 2 294.398 3.486 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nc(CCC)cs2)CC1 ZINC000494069168 332462490 /nfs/dbraw/zinc/46/24/90/332462490.db2.gz MXZINHPISOHIIF-UHFFFAOYSA-N 2 2 293.480 3.226 20 30 CGEDLP C[N@H+](CC[NH2+]CC(C)(C)CCC#N)Cc1ccccc1 ZINC000174299151 335152137 /nfs/dbraw/zinc/15/21/37/335152137.db2.gz RKFLUNBHMPSLGP-UHFFFAOYSA-N 2 2 273.424 3.038 20 30 CGEDLP C[N@@H+](CC[NH2+]CC(C)(C)CCC#N)Cc1ccccc1 ZINC000174299151 335152138 /nfs/dbraw/zinc/15/21/38/335152138.db2.gz RKFLUNBHMPSLGP-UHFFFAOYSA-N 2 2 273.424 3.038 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cn3ccccc3n2)CC1 ZINC000548056385 334137235 /nfs/dbraw/zinc/13/72/35/334137235.db2.gz GEASOUMDRXHIPC-HNNXBMFYSA-N 2 2 298.434 3.025 20 30 CGEDLP N#Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)s1 ZINC000176956727 335344838 /nfs/dbraw/zinc/34/48/38/335344838.db2.gz KOQHFYDKJDUZPO-UHFFFAOYSA-N 2 2 294.383 3.095 20 30 CGEDLP C#CCOc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000765257627 627243736 /nfs/dbraw/zinc/24/37/36/627243736.db2.gz JIVNMCJMMLGNEU-INIZCTEOSA-N 2 2 297.402 3.026 20 30 CGEDLP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC000773030523 627844491 /nfs/dbraw/zinc/84/44/91/627844491.db2.gz RWRYCFFINMINAV-UHFFFAOYSA-N 2 2 289.398 3.050 20 30 CGEDLP N#CCCC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925674503 638564994 /nfs/dbraw/zinc/56/49/94/638564994.db2.gz AXKGMLOSZLJYQM-DLBZAZTESA-N 2 2 283.419 3.296 20 30 CGEDLP N#Cc1cccc(C2([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000925926214 638655628 /nfs/dbraw/zinc/65/56/28/638655628.db2.gz MQWUZRMDMJLYAH-ZWKOTPCHSA-N 2 2 295.430 3.154 20 30 CGEDLP N#Cc1cccc(C2([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000925926214 638655633 /nfs/dbraw/zinc/65/56/33/638655633.db2.gz MQWUZRMDMJLYAH-ZWKOTPCHSA-N 2 2 295.430 3.154 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000926295663 638760678 /nfs/dbraw/zinc/76/06/78/638760678.db2.gz PVEOLERIFUOQQS-AWEZNQCLSA-N 2 2 265.445 3.026 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000926295663 638760682 /nfs/dbraw/zinc/76/06/82/638760682.db2.gz PVEOLERIFUOQQS-AWEZNQCLSA-N 2 2 265.445 3.026 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000926323909 638763119 /nfs/dbraw/zinc/76/31/19/638763119.db2.gz PCCITGPOZLGRHI-KBPBESRZSA-N 2 2 265.445 3.025 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000926323909 638763120 /nfs/dbraw/zinc/76/31/20/638763120.db2.gz PCCITGPOZLGRHI-KBPBESRZSA-N 2 2 265.445 3.025 20 30 CGEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCC1(C#N)CCC1 ZINC000929811502 638953394 /nfs/dbraw/zinc/95/33/94/638953394.db2.gz BGDPQTYSTCDVEA-SJORKVTESA-N 2 2 289.467 3.409 20 30 CGEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCC1(C#N)CCC1 ZINC000929811502 638953397 /nfs/dbraw/zinc/95/33/97/638953397.db2.gz BGDPQTYSTCDVEA-SJORKVTESA-N 2 2 289.467 3.409 20 30 CGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC1(C#N)CCC1 ZINC000929811502 638953400 /nfs/dbraw/zinc/95/34/00/638953400.db2.gz BGDPQTYSTCDVEA-SJORKVTESA-N 2 2 289.467 3.409 20 30 CGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCC1(C#N)CCC1 ZINC000929811502 638953403 /nfs/dbraw/zinc/95/34/03/638953403.db2.gz BGDPQTYSTCDVEA-SJORKVTESA-N 2 2 289.467 3.409 20 30 CGEDLP C=CCCCCC[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721643589 800299514 /nfs/dbraw/zinc/29/95/14/800299514.db2.gz TXQUEPDKJAWNCZ-KRWDZBQOSA-N 2 2 258.409 3.118 20 30 CGEDLP C=CCCCCC[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721643589 800299516 /nfs/dbraw/zinc/29/95/16/800299516.db2.gz TXQUEPDKJAWNCZ-KRWDZBQOSA-N 2 2 258.409 3.118 20 30 CGEDLP C=CCCCCCC[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206337268 813293562 /nfs/dbraw/zinc/29/35/62/813293562.db2.gz RLGNPGHQSBVRSH-HNNXBMFYSA-N 2 2 256.409 3.276 20 30 CGEDLP C=CCCCCCC[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206337268 813293568 /nfs/dbraw/zinc/29/35/68/813293568.db2.gz RLGNPGHQSBVRSH-HNNXBMFYSA-N 2 2 256.409 3.276 20 30 CGEDLP CCCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246088558 804120905 /nfs/dbraw/zinc/12/09/05/804120905.db2.gz KZYGVPLMAXYGRL-SJORKVTESA-N 2 2 284.488 3.484 20 30 CGEDLP CCCCCCCCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246090762 804121917 /nfs/dbraw/zinc/12/19/17/804121917.db2.gz ZAGXLWSFOQWIHW-IRXDYDNUSA-N 2 2 284.488 3.484 20 30 CGEDLP CCCCCCCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1O ZINC001246089061 804122739 /nfs/dbraw/zinc/12/27/39/804122739.db2.gz YFXJZBWKCXVKPP-GVDBMIGSSA-N 2 2 284.488 3.218 20 30 CGEDLP CCCC[C@H]1C[C@H]([N@@H+]2CCc3ccc(C#N)cc3C2)CC[NH2+]1 ZINC001246594807 804435577 /nfs/dbraw/zinc/43/55/77/804435577.db2.gz RUNUBWGHPWPSMK-RBUKOAKNSA-N 2 2 297.446 3.227 20 30 CGEDLP CCCC[C@H]1C[C@H]([N@H+]2CCc3ccc(C#N)cc3C2)CC[NH2+]1 ZINC001246594807 804435582 /nfs/dbraw/zinc/43/55/82/804435582.db2.gz RUNUBWGHPWPSMK-RBUKOAKNSA-N 2 2 297.446 3.227 20 30 CGEDLP CCCC[N@H+](CCC#N)C1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246768729 804502989 /nfs/dbraw/zinc/50/29/89/804502989.db2.gz GXLIRNOYOAHLEB-GJZGRUSLSA-N 2 2 265.445 3.311 20 30 CGEDLP CCCC[N@@H+](CCC#N)C1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246768729 804502994 /nfs/dbraw/zinc/50/29/94/804502994.db2.gz GXLIRNOYOAHLEB-GJZGRUSLSA-N 2 2 265.445 3.311 20 30 CGEDLP N#Cc1ccc(C2CCC([NH2+]CC[NH+]3CCCC3)CC2)cc1 ZINC001257007887 807025104 /nfs/dbraw/zinc/02/51/04/807025104.db2.gz FXQSLTOTOIFRAA-UHFFFAOYSA-N 2 2 297.446 3.270 20 30 CGEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257011470 807026862 /nfs/dbraw/zinc/02/68/62/807026862.db2.gz OZDXQQQNXKQDIO-ACBHZAAOSA-N 2 2 297.446 3.268 20 30 CGEDLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257011470 807026871 /nfs/dbraw/zinc/02/68/71/807026871.db2.gz OZDXQQQNXKQDIO-ACBHZAAOSA-N 2 2 297.446 3.268 20 30 CGEDLP C#Cc1cc(Nc2ccc(C3CC[NH+](C)CC3)cc2)cc[nH+]1 ZINC001212687991 815103491 /nfs/dbraw/zinc/10/34/91/815103491.db2.gz YVJFFNRTNMPUKE-UHFFFAOYSA-N 2 2 291.398 3.038 20 30 CGEDLP CCCCCCC[C@@H](CC(C)C)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001258715646 807566765 /nfs/dbraw/zinc/56/67/65/807566765.db2.gz JAWOCIDYLGNYEP-ARFHVFGLSA-N 2 2 270.461 3.077 20 30 CGEDLP C=CCC[C@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258721686 807570149 /nfs/dbraw/zinc/57/01/49/807570149.db2.gz CPFRMYDKFDFPEV-HNNXBMFYSA-N 2 2 273.424 3.242 20 30 CGEDLP CC[NH+]1CCC([NH+]2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001169245150 807612133 /nfs/dbraw/zinc/61/21/33/807612133.db2.gz AJFTUOMLPMLARC-UHFFFAOYSA-N 2 2 297.446 3.028 20 30 CGEDLP C[C@H](CCCC#N)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001172484537 808346481 /nfs/dbraw/zinc/34/64/81/808346481.db2.gz FXVOARZUNXJIQP-MJGOQNOKSA-N 2 2 299.462 3.365 20 30 CGEDLP CC[NH+](CC)C1CCC([N@@H+]2CCCC[C@H]2C#N)CC1 ZINC001173114865 808514765 /nfs/dbraw/zinc/51/47/65/808514765.db2.gz UVFBPJOQUABCCX-GPANFISMSA-N 2 2 263.429 3.017 20 30 CGEDLP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@H]2C#N)CC1 ZINC001173114865 808514768 /nfs/dbraw/zinc/51/47/68/808514768.db2.gz UVFBPJOQUABCCX-GPANFISMSA-N 2 2 263.429 3.017 20 30 CGEDLP CCCCCCCC[C@@H](CCC)[NH2+]C1(C[NH3+])COC1 ZINC001173310678 808606645 /nfs/dbraw/zinc/60/66/45/808606645.db2.gz XUSNVIHJUFPLGE-OAHLLOKOSA-N 2 2 270.461 3.223 20 30 CGEDLP C=CCCCCCCCC[N@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235927722 819226747 /nfs/dbraw/zinc/22/67/47/819226747.db2.gz KVRMTTHEMFBUCV-UHFFFAOYSA-N 2 2 294.483 3.356 20 30 CGEDLP C=CCCCCCCCC[N@@H+](C1COC1)C1CC[NH2+]CC1 ZINC001235927722 819226752 /nfs/dbraw/zinc/22/67/52/819226752.db2.gz KVRMTTHEMFBUCV-UHFFFAOYSA-N 2 2 294.483 3.356 20 30 CGEDLP C[C@@H]([NH3+])C[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001236142909 819343655 /nfs/dbraw/zinc/34/36/55/819343655.db2.gz DRBFDQJXVYZYCH-CVEARBPZSA-N 2 2 293.414 3.469 20 30 CGEDLP C[C@@H]([NH3+])C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ccccc1 ZINC001236142909 819343662 /nfs/dbraw/zinc/34/36/62/819343662.db2.gz DRBFDQJXVYZYCH-CVEARBPZSA-N 2 2 293.414 3.469 20 30 CGEDLP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001320878087 934115571 /nfs/dbraw/zinc/11/55/71/934115571.db2.gz ZGSILNYEXVXTKU-QGLXBCBXSA-N 2 2 297.446 3.073 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000651676242 398267429 /nfs/dbraw/zinc/26/74/29/398267429.db2.gz TUJUKUTXVHHPGG-HUUCEWRRSA-N 2 2 273.424 3.096 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000651681854 398268404 /nfs/dbraw/zinc/26/84/04/398268404.db2.gz BCBDWZIUFAKMCD-VQIMIIECSA-N 2 2 299.462 3.380 20 30 CGEDLP C=CC[C@H]1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000651797315 398289952 /nfs/dbraw/zinc/28/99/52/398289952.db2.gz JYBXLHLWHMHCCF-UONOGXRCSA-N 2 2 259.397 3.054 20 30 CGEDLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423237333 529611479 /nfs/dbraw/zinc/61/14/79/529611479.db2.gz IHMAVFRVUOBFBR-MSOLQXFVSA-N 2 2 279.387 3.299 20 30 CGEDLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(C#N)cc1 ZINC000367439845 529634887 /nfs/dbraw/zinc/63/48/87/529634887.db2.gz XOUSGICRLBEXOF-KRWDZBQOSA-N 2 2 294.402 3.332 20 30 CGEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000624077765 349965375 /nfs/dbraw/zinc/96/53/75/349965375.db2.gz AMQAAIFGNBDHSK-HOCLYGCPSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000624077765 349965377 /nfs/dbraw/zinc/96/53/77/349965377.db2.gz AMQAAIFGNBDHSK-HOCLYGCPSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000358333347 346543836 /nfs/dbraw/zinc/54/38/36/346543836.db2.gz WRQHNXXLWWLKNP-PVAVHDDUSA-N 2 2 258.409 3.234 20 30 CGEDLP C=CCC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000358333347 346543838 /nfs/dbraw/zinc/54/38/38/346543838.db2.gz WRQHNXXLWWLKNP-PVAVHDDUSA-N 2 2 258.409 3.234 20 30 CGEDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000595054471 347270895 /nfs/dbraw/zinc/27/08/95/347270895.db2.gz PTASMNPNVRJEOA-SWLSCSKDSA-N 2 2 289.398 3.221 20 30 CGEDLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000595054471 347270897 /nfs/dbraw/zinc/27/08/97/347270897.db2.gz PTASMNPNVRJEOA-SWLSCSKDSA-N 2 2 289.398 3.221 20 30 CGEDLP CC(C)(C)[NH+]1CCC([NH2+]CC2(C#N)CCCCC2)CC1 ZINC000595092225 347281174 /nfs/dbraw/zinc/28/11/74/347281174.db2.gz ZPYCJJJPTXUQSF-UHFFFAOYSA-N 2 2 277.456 3.313 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623557 347329607 /nfs/dbraw/zinc/32/96/07/347329607.db2.gz TZWSIBSTHFOKAI-INIZCTEOSA-N 2 2 294.402 3.306 20 30 CGEDLP N#CC[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000597178248 347545260 /nfs/dbraw/zinc/54/52/60/347545260.db2.gz WPMZSHPFGDPONC-ZDUSSCGKSA-N 2 2 286.404 3.059 20 30 CGEDLP N#CC[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000597178248 347545263 /nfs/dbraw/zinc/54/52/63/347545263.db2.gz WPMZSHPFGDPONC-ZDUSSCGKSA-N 2 2 286.404 3.059 20 30 CGEDLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C[NH2+]1 ZINC000600711141 347829242 /nfs/dbraw/zinc/82/92/42/347829242.db2.gz RGOCLPVLUKMBNV-RPVQJOFSSA-N 2 2 283.419 3.056 20 30 CGEDLP C[C@H](CCC#N)C[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000602456591 347961021 /nfs/dbraw/zinc/96/10/21/347961021.db2.gz ZTYAICKUTVMVOA-VQHPVUNQSA-N 2 2 277.456 3.263 20 30 CGEDLP C[C@H](CCC#N)C[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000602456591 347961024 /nfs/dbraw/zinc/96/10/24/347961024.db2.gz ZTYAICKUTVMVOA-VQHPVUNQSA-N 2 2 277.456 3.263 20 30 CGEDLP N#CC1CCC([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000602505872 347972030 /nfs/dbraw/zinc/97/20/30/347972030.db2.gz WKCAZOJQGGRZJL-NKELODKYSA-N 2 2 297.446 3.495 20 30 CGEDLP CC(C)[C@H](C[NH2+]C[C@@H](C)CCC#N)[NH+]1CCCCCC1 ZINC000602513041 347973326 /nfs/dbraw/zinc/97/33/26/347973326.db2.gz YVSCWMIRKVUFAI-IRXDYDNUSA-N 2 2 279.472 3.416 20 30 CGEDLP CC(C)[C@@H](C[NH2+]C[C@@H](C)CCC#N)[NH+]1CCCCCC1 ZINC000602513037 347973760 /nfs/dbraw/zinc/97/37/60/347973760.db2.gz YVSCWMIRKVUFAI-DLBZAZTESA-N 2 2 279.472 3.416 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000602549563 347980074 /nfs/dbraw/zinc/98/00/74/347980074.db2.gz DSSUFOMDINYXAC-CVEARBPZSA-N 2 2 273.424 3.036 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000602549563 347980077 /nfs/dbraw/zinc/98/00/77/347980077.db2.gz DSSUFOMDINYXAC-CVEARBPZSA-N 2 2 273.424 3.036 20 30 CGEDLP C=CC[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000628406870 350529310 /nfs/dbraw/zinc/52/93/10/350529310.db2.gz SPEYROGKPKOFEJ-CYBMUJFWSA-N 2 2 273.405 3.332 20 30 CGEDLP C=CC[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000628406870 350529312 /nfs/dbraw/zinc/52/93/12/350529312.db2.gz SPEYROGKPKOFEJ-CYBMUJFWSA-N 2 2 273.405 3.332 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccccc2OC)CC1 ZINC000152982215 188057004 /nfs/dbraw/zinc/05/70/04/188057004.db2.gz USEYOTBJKIHZRI-OAHLLOKOSA-N 2 2 288.435 3.386 20 30 CGEDLP C[C@H](C[NH2+]Cc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000111389208 138364033 /nfs/dbraw/zinc/36/40/33/138364033.db2.gz XBKZWHHVHCVZNW-MRXNPFEDSA-N 2 2 293.414 3.168 20 30 CGEDLP C[C@H](C[NH2+]Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000111389208 138364034 /nfs/dbraw/zinc/36/40/34/138364034.db2.gz XBKZWHHVHCVZNW-MRXNPFEDSA-N 2 2 293.414 3.168 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000177908462 189078244 /nfs/dbraw/zinc/07/82/44/189078244.db2.gz HDVRKCHKESUTEC-LLVKDONJSA-N 2 2 298.352 3.405 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3ccc(C)cc32)CC1 ZINC000177910662 189078736 /nfs/dbraw/zinc/07/87/36/189078736.db2.gz JGKUZWDBZBCJIQ-SFHVURJKSA-N 2 2 270.420 3.222 20 30 CGEDLP C=CCOc1ccccc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000125235757 370934114 /nfs/dbraw/zinc/93/41/14/370934114.db2.gz YTWSPSXHJYUTRW-UHFFFAOYSA-N 2 2 288.435 3.168 20 30 CGEDLP C=CCOc1ccccc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000125235757 370934116 /nfs/dbraw/zinc/93/41/16/370934116.db2.gz YTWSPSXHJYUTRW-UHFFFAOYSA-N 2 2 288.435 3.168 20 30 CGEDLP C[C@]1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000442849474 373103415 /nfs/dbraw/zinc/10/34/15/373103415.db2.gz HJASTLJCFRTTHQ-IPMKNSEASA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@]1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCC[N@H+]1Cc1ccccc1 ZINC000442849474 373103418 /nfs/dbraw/zinc/10/34/18/373103418.db2.gz HJASTLJCFRTTHQ-IPMKNSEASA-N 2 2 297.446 3.323 20 30 CGEDLP C=CC[N@H+](CCCn1cc[nH+]c1)CC1CCCCC1 ZINC000182779489 374326453 /nfs/dbraw/zinc/32/64/53/374326453.db2.gz MSVIOHOKIYUAKZ-UHFFFAOYSA-N 2 2 261.413 3.342 20 30 CGEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)CC1CCCCC1 ZINC000182779489 374326457 /nfs/dbraw/zinc/32/64/57/374326457.db2.gz MSVIOHOKIYUAKZ-UHFFFAOYSA-N 2 2 261.413 3.342 20 30 CGEDLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185886177 374760853 /nfs/dbraw/zinc/76/08/53/374760853.db2.gz ZXLADAXQYCEQRO-CABCVRRESA-N 2 2 296.418 3.178 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H](C)C1CC1)C(C)C ZINC000480754902 375160377 /nfs/dbraw/zinc/16/03/77/375160377.db2.gz FIXRINDCBAFESP-GDBMZVCRSA-N 2 2 250.430 3.073 20 30 CGEDLP CC(C)=CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000188444424 375215651 /nfs/dbraw/zinc/21/56/51/375215651.db2.gz OYIOEBYXQTVPGZ-UHFFFAOYSA-N 2 2 283.419 3.078 20 30 CGEDLP CC(C)[N@H+](CCC#N)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543395246 376634615 /nfs/dbraw/zinc/63/46/15/376634615.db2.gz WJZKDWJOJQVERM-UHFFFAOYSA-N 2 2 274.393 3.058 20 30 CGEDLP CC(C)[N@@H+](CCC#N)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000543395246 376634621 /nfs/dbraw/zinc/63/46/21/376634621.db2.gz WJZKDWJOJQVERM-UHFFFAOYSA-N 2 2 274.393 3.058 20 30 CGEDLP C=CC[N@H+](Cc1ccc(Cl)s1)C[C@]1(C)CC[NH2+]C1 ZINC000261758192 377849864 /nfs/dbraw/zinc/84/98/64/377849864.db2.gz KZWUPUZOEVJLMK-CQSZACIVSA-N 2 2 284.856 3.389 20 30 CGEDLP C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@]1(C)CC[NH2+]C1 ZINC000261758192 377849870 /nfs/dbraw/zinc/84/98/70/377849870.db2.gz KZWUPUZOEVJLMK-CQSZACIVSA-N 2 2 284.856 3.389 20 30 CGEDLP C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CCC[NH2+]C1 ZINC000346845421 378694314 /nfs/dbraw/zinc/69/43/14/378694314.db2.gz AVFOKTJWEDLCRU-GFCCVEGCSA-N 2 2 284.856 3.389 20 30 CGEDLP C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CCC[NH2+]C1 ZINC000346845421 378694323 /nfs/dbraw/zinc/69/43/23/378694323.db2.gz AVFOKTJWEDLCRU-GFCCVEGCSA-N 2 2 284.856 3.389 20 30 CGEDLP C=CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000370814344 379072149 /nfs/dbraw/zinc/07/21/49/379072149.db2.gz JVKYGHDPAFNWMF-MRXNPFEDSA-N 2 2 282.391 3.102 20 30 CGEDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccc(C#N)cc1 ZINC000278319456 379344947 /nfs/dbraw/zinc/34/49/47/379344947.db2.gz UWKSQYISONPMHS-IAGOWNOFSA-N 2 2 271.408 3.083 20 30 CGEDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccc(C#N)cc1 ZINC000278319456 379344957 /nfs/dbraw/zinc/34/49/57/379344957.db2.gz UWKSQYISONPMHS-IAGOWNOFSA-N 2 2 271.408 3.083 20 30 CGEDLP C[C@H](CC#N)[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411315945 380140976 /nfs/dbraw/zinc/14/09/76/380140976.db2.gz KCZASXOQHQOYTN-MRXNPFEDSA-N 2 2 285.435 3.406 20 30 CGEDLP C[C@H](CC#N)[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411315945 380140984 /nfs/dbraw/zinc/14/09/84/380140984.db2.gz KCZASXOQHQOYTN-MRXNPFEDSA-N 2 2 285.435 3.406 20 30 CGEDLP C[C@@H](CCC#N)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000411500083 380148667 /nfs/dbraw/zinc/14/86/67/380148667.db2.gz FDTOCRBKKLPUEM-HNNXBMFYSA-N 2 2 274.412 3.068 20 30 CGEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000354204562 380362570 /nfs/dbraw/zinc/36/25/70/380362570.db2.gz FPJLZPRTKJRDSC-CJNGLKHVSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000354204562 380362575 /nfs/dbraw/zinc/36/25/75/380362575.db2.gz FPJLZPRTKJRDSC-CJNGLKHVSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000354204562 380362581 /nfs/dbraw/zinc/36/25/81/380362581.db2.gz FPJLZPRTKJRDSC-CJNGLKHVSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000354204562 380362590 /nfs/dbraw/zinc/36/25/90/380362590.db2.gz FPJLZPRTKJRDSC-CJNGLKHVSA-N 2 2 289.398 3.002 20 30 CGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H](CCC#N)c1ccccc1 ZINC000358337020 381306231 /nfs/dbraw/zinc/30/62/31/381306231.db2.gz DWKPNLCRQDCVNC-ZTFGCOKTSA-N 2 2 283.419 3.104 20 30 CGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H](CCC#N)c1ccccc1 ZINC000358337020 381306240 /nfs/dbraw/zinc/30/62/40/381306240.db2.gz DWKPNLCRQDCVNC-ZTFGCOKTSA-N 2 2 283.419 3.104 20 30 CGEDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360828766 381628055 /nfs/dbraw/zinc/62/80/55/381628055.db2.gz AINDDMNXSXMFDX-FUHWJXTLSA-N 2 2 283.419 3.010 20 30 CGEDLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360828766 381628060 /nfs/dbraw/zinc/62/80/60/381628060.db2.gz AINDDMNXSXMFDX-FUHWJXTLSA-N 2 2 283.419 3.010 20 30 CGEDLP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000361455946 381753077 /nfs/dbraw/zinc/75/30/77/381753077.db2.gz GWIJPSBFASPOEV-KXBFYZLASA-N 2 2 297.446 3.301 20 30 CGEDLP C=CCCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282231050 392285928 /nfs/dbraw/zinc/28/59/28/392285928.db2.gz ZJITYZKROPORKE-HNNXBMFYSA-N 2 2 273.424 3.365 20 30 CGEDLP C=CCCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282231050 392285932 /nfs/dbraw/zinc/28/59/32/392285932.db2.gz ZJITYZKROPORKE-HNNXBMFYSA-N 2 2 273.424 3.365 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)c(C)o2)CC1 ZINC000282439455 392290724 /nfs/dbraw/zinc/29/07/24/392290724.db2.gz ZIWBONOSLMJUTH-CYBMUJFWSA-N 2 2 262.397 3.197 20 30 CGEDLP C=CCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccco1 ZINC000285528603 392325259 /nfs/dbraw/zinc/32/52/59/392325259.db2.gz FJIXEOOFHKAJQD-OAHLLOKOSA-N 2 2 262.397 3.361 20 30 CGEDLP C=CCOc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647554380 392768902 /nfs/dbraw/zinc/76/89/02/392768902.db2.gz YFMCFQAQYZUELR-KRWDZBQOSA-N 2 2 286.419 3.016 20 30 CGEDLP C[C@@H]1C[C@@H]([NH+](C)CC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000343314848 393024996 /nfs/dbraw/zinc/02/49/96/393024996.db2.gz OOBNGVGYBVCLBL-AEFFLSMTSA-N 2 2 297.446 3.275 20 30 CGEDLP C[C@@H]1C[C@@H]([NH+](C)CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000343314848 393025000 /nfs/dbraw/zinc/02/50/00/393025000.db2.gz OOBNGVGYBVCLBL-AEFFLSMTSA-N 2 2 297.446 3.275 20 30 CGEDLP C[C@@H]1C[C@@H]([N@H+](C)CC2(C#N)CC2)CC[NH+]1Cc1ccccc1 ZINC000343314848 393025006 /nfs/dbraw/zinc/02/50/06/393025006.db2.gz OOBNGVGYBVCLBL-AEFFLSMTSA-N 2 2 297.446 3.275 20 30 CGEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC2(C#N)CC2)CC[NH+]1Cc1ccccc1 ZINC000343314848 393025011 /nfs/dbraw/zinc/02/50/11/393025011.db2.gz OOBNGVGYBVCLBL-AEFFLSMTSA-N 2 2 297.446 3.275 20 30 CGEDLP C=C[C@@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806769 543466439 /nfs/dbraw/zinc/46/64/39/543466439.db2.gz NFOCSBWGIOLNEK-ZBFHGGJFSA-N 2 2 258.409 3.204 20 30 CGEDLP C=C[C@@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806769 543466441 /nfs/dbraw/zinc/46/64/41/543466441.db2.gz NFOCSBWGIOLNEK-ZBFHGGJFSA-N 2 2 258.409 3.204 20 30 CGEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc(C#N)cc1 ZINC000285484108 196300236 /nfs/dbraw/zinc/30/02/36/196300236.db2.gz BRPGLTHFDCHVAI-UHFFFAOYSA-N 2 2 297.402 3.105 20 30 CGEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc(C#N)cc1 ZINC000285484108 196300238 /nfs/dbraw/zinc/30/02/38/196300238.db2.gz BRPGLTHFDCHVAI-UHFFFAOYSA-N 2 2 297.402 3.105 20 30 CGEDLP C[NH+](CCC[N@H+](C)Cc1ccc(C#N)cc1)Cc1ccco1 ZINC000285484108 196300240 /nfs/dbraw/zinc/30/02/40/196300240.db2.gz BRPGLTHFDCHVAI-UHFFFAOYSA-N 2 2 297.402 3.105 20 30 CGEDLP C[NH+](CCC[N@@H+](C)Cc1ccc(C#N)cc1)Cc1ccco1 ZINC000285484108 196300242 /nfs/dbraw/zinc/30/02/42/196300242.db2.gz BRPGLTHFDCHVAI-UHFFFAOYSA-N 2 2 297.402 3.105 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849843 419119855 /nfs/dbraw/zinc/11/98/55/419119855.db2.gz ZFZVSQUEPVZLJV-VGWMRTNUSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849843 419119858 /nfs/dbraw/zinc/11/98/58/419119858.db2.gz ZFZVSQUEPVZLJV-VGWMRTNUSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)[C@H](C)COC ZINC000661240131 419243388 /nfs/dbraw/zinc/24/33/88/419243388.db2.gz MBLGVXWXDYQHPJ-MRXNPFEDSA-N 2 2 299.418 3.204 20 30 CGEDLP C=CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)[C@H](C)COC ZINC000661240131 419243390 /nfs/dbraw/zinc/24/33/90/419243390.db2.gz MBLGVXWXDYQHPJ-MRXNPFEDSA-N 2 2 299.418 3.204 20 30 CGEDLP C=CCOCC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660857193 419203826 /nfs/dbraw/zinc/20/38/26/419203826.db2.gz HSHFUUUGXQCWSN-UHFFFAOYSA-N 2 2 299.418 3.020 20 30 CGEDLP C=CCCC1(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)CCCC1 ZINC000657567710 419307922 /nfs/dbraw/zinc/30/79/22/419307922.db2.gz WAASNVAZCLDCAQ-UHFFFAOYSA-N 2 2 290.455 3.102 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000657902810 419429414 /nfs/dbraw/zinc/42/94/14/419429414.db2.gz AFPOVGRMVJPEND-HDEZJCGLSA-N 2 2 262.441 3.194 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000657902810 419429427 /nfs/dbraw/zinc/42/94/27/419429427.db2.gz AFPOVGRMVJPEND-HDEZJCGLSA-N 2 2 262.441 3.194 20 30 CGEDLP C=C(C)COCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090451024 260359400 /nfs/dbraw/zinc/35/94/00/260359400.db2.gz SGFIHSRWEXHOBO-OAHLLOKOSA-N 2 2 285.391 3.116 20 30 CGEDLP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000185797891 262071401 /nfs/dbraw/zinc/07/14/01/262071401.db2.gz GFHQTAHPFNLXGO-ZFWWWQNUSA-N 2 2 298.365 3.183 20 30 CGEDLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000289403128 263109967 /nfs/dbraw/zinc/10/99/67/263109967.db2.gz OIPYGKYAXXSCJP-UHFFFAOYSA-N 2 2 287.407 3.173 20 30 CGEDLP C=CCC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000120121219 267383546 /nfs/dbraw/zinc/38/35/46/267383546.db2.gz HBODPVYWCKREKA-MRXNPFEDSA-N 2 2 273.424 3.096 20 30 CGEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000414311655 328154507 /nfs/dbraw/zinc/15/45/07/328154507.db2.gz YRTYCLGJROLDAM-SZVBFZGTSA-N 2 2 284.447 3.246 20 30 CGEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000414311655 328154508 /nfs/dbraw/zinc/15/45/08/328154508.db2.gz YRTYCLGJROLDAM-SZVBFZGTSA-N 2 2 284.447 3.246 20 30 CGEDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000565044707 322056365 /nfs/dbraw/zinc/05/63/65/322056365.db2.gz SAAYYQVTYWNPOF-LJQANCHMSA-N 2 2 293.414 3.471 20 30 CGEDLP C=CCCOCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090883675 327101702 /nfs/dbraw/zinc/10/17/02/327101702.db2.gz DXUPWEKFMPZQFJ-HNNXBMFYSA-N 2 2 285.391 3.116 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000177906930 329189892 /nfs/dbraw/zinc/18/98/92/329189892.db2.gz GCFREINSKPNTOC-OAHLLOKOSA-N 2 2 287.451 3.054 20 30 CGEDLP C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000430746415 330572543 /nfs/dbraw/zinc/57/25/43/330572543.db2.gz QMWGHIMVKMZELQ-AWEZNQCLSA-N 2 2 280.375 3.217 20 30 CGEDLP C=CC(C)(C)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449485380 330929917 /nfs/dbraw/zinc/92/99/17/330929917.db2.gz MKEGGCYSJZJTRJ-UHFFFAOYSA-N 2 2 261.394 3.236 20 30 CGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]C[C@@H]1CCSC1)C(C)C ZINC000486940308 331950593 /nfs/dbraw/zinc/95/05/93/331950593.db2.gz KOUUNEKLJDMDLD-HOTGVXAUSA-N 2 2 282.497 3.028 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)C(C)C ZINC000185775659 333148549 /nfs/dbraw/zinc/14/85/49/333148549.db2.gz BLCPYSRJJVQVSI-RCCFBDPRSA-N 2 2 289.467 3.357 20 30 CGEDLP N#CCc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000342716159 335186268 /nfs/dbraw/zinc/18/62/68/335186268.db2.gz UWFPNFKKQLPECB-UHFFFAOYSA-N 2 2 297.446 3.203 20 30 CGEDLP N#Cc1csc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000177689866 335379038 /nfs/dbraw/zinc/37/90/38/335379038.db2.gz GRCDYSAZOJBVBK-UHFFFAOYSA-N 2 2 294.383 3.095 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OCCCC)C2(C)C)CC1 ZINC000181716847 335780200 /nfs/dbraw/zinc/78/02/00/335780200.db2.gz WSUFJDVZPFKUKO-DLBZAZTESA-N 2 2 294.483 3.210 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)C[C@@H]2C)CC1 ZINC000193132255 526453408 /nfs/dbraw/zinc/45/34/08/526453408.db2.gz IPBADEACSDVZSD-DZGCQCFKSA-N 2 2 250.430 3.051 20 30 CGEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1Cl ZINC000347203853 526865708 /nfs/dbraw/zinc/86/57/08/526865708.db2.gz KWINBYRVWJZJHP-AWEZNQCLSA-N 2 2 294.826 3.076 20 30 CGEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1Cl ZINC000347203853 526865711 /nfs/dbraw/zinc/86/57/11/526865711.db2.gz KWINBYRVWJZJHP-AWEZNQCLSA-N 2 2 294.826 3.076 20 30 CGEDLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358561267 528204298 /nfs/dbraw/zinc/20/42/98/528204298.db2.gz GEDDYNDWDBSFKV-ZDUSSCGKSA-N 2 2 289.398 3.222 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000924983595 619475449 /nfs/dbraw/zinc/47/54/49/619475449.db2.gz GYWIUHXXWCQFRZ-HZPDHXFCSA-N 2 2 264.457 3.441 20 30 CGEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903025688 621542526 /nfs/dbraw/zinc/54/25/26/621542526.db2.gz HAJPYEQNTBASPQ-ZVZYQTTQSA-N 2 2 297.402 3.114 20 30 CGEDLP CC(C)(C#N)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000903099980 621573048 /nfs/dbraw/zinc/57/30/48/621573048.db2.gz DYNMZNRTCJAKFN-BCDXTJNWSA-N 2 2 297.446 3.321 20 30 CGEDLP CC(C)(C#N)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000903099980 621573055 /nfs/dbraw/zinc/57/30/55/621573055.db2.gz DYNMZNRTCJAKFN-BCDXTJNWSA-N 2 2 297.446 3.321 20 30 CGEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000903220907 621634029 /nfs/dbraw/zinc/63/40/29/621634029.db2.gz RCIJESXPRIZPLP-ZFWWWQNUSA-N 2 2 293.480 3.429 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc3c(F)cccc3c2)CC1 ZINC000865453724 630131755 /nfs/dbraw/zinc/13/17/55/630131755.db2.gz IXPSGVJZLIVDGS-UHFFFAOYSA-N 2 2 299.393 3.114 20 30 CGEDLP C=CCCCCC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000850553938 637118492 /nfs/dbraw/zinc/11/84/92/637118492.db2.gz BCGNMTLQKXCRQG-FUHWJXTLSA-N 2 2 294.483 3.354 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccco1 ZINC000925779321 638610063 /nfs/dbraw/zinc/61/00/63/638610063.db2.gz WYOQDHWDWRQFHZ-STQMWFEESA-N 2 2 284.350 3.121 20 30 CGEDLP C[N@@H+]1CCC[C@@H](CCNc2[nH+]ccc3ccc(C#N)cc32)C1 ZINC001156378930 805679980 /nfs/dbraw/zinc/67/99/80/805679980.db2.gz RFRIPMBNEWKJEL-AWEZNQCLSA-N 2 2 294.402 3.250 20 30 CGEDLP C[N@H+]1CCC[C@@H](CCNc2[nH+]ccc3ccc(C#N)cc32)C1 ZINC001156378930 805679982 /nfs/dbraw/zinc/67/99/82/805679982.db2.gz RFRIPMBNEWKJEL-AWEZNQCLSA-N 2 2 294.402 3.250 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@H+](CC)CCn1cc[nH+]c1 ZINC001253241812 806192409 /nfs/dbraw/zinc/19/24/09/806192409.db2.gz DPFJSCJHXHXGPZ-QGZVFWFLSA-N 2 2 293.455 3.093 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001253241812 806192412 /nfs/dbraw/zinc/19/24/12/806192412.db2.gz DPFJSCJHXHXGPZ-QGZVFWFLSA-N 2 2 293.455 3.093 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001246062827 804104837 /nfs/dbraw/zinc/10/48/37/804104837.db2.gz JISPFGWZXILILD-ZWKOTPCHSA-N 2 2 294.483 3.090 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001246062827 804104842 /nfs/dbraw/zinc/10/48/42/804104842.db2.gz JISPFGWZXILILD-ZWKOTPCHSA-N 2 2 294.483 3.090 20 30 CGEDLP CCCCCCC[C@@H](CC(C)C)[NH2+][C@H]1CCOC12C[NH2+]C2 ZINC001246124989 804152518 /nfs/dbraw/zinc/15/25/18/804152518.db2.gz IDVZBYSUCMMXIC-IRXDYDNUSA-N 2 2 296.499 3.482 20 30 CGEDLP CCCCCCC[C@@H](CC)[NH2+][C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001246148519 804169658 /nfs/dbraw/zinc/16/96/58/804169658.db2.gz FANCDGRINRSIDL-LTIDMASMSA-N 2 2 282.472 3.235 20 30 CGEDLP CCCC[N@H+](CCC#N)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246769190 804503265 /nfs/dbraw/zinc/50/32/65/804503265.db2.gz ISOUFRNWGFMFBA-INIZCTEOSA-N 2 2 277.456 3.457 20 30 CGEDLP CCCC[N@@H+](CCC#N)[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246769190 804503273 /nfs/dbraw/zinc/50/32/73/804503273.db2.gz ISOUFRNWGFMFBA-INIZCTEOSA-N 2 2 277.456 3.457 20 30 CGEDLP C=C[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001257214165 807061769 /nfs/dbraw/zinc/06/17/69/807061769.db2.gz ZIVVNFMANDFTMV-QGZVFWFLSA-N 2 2 258.409 3.376 20 30 CGEDLP CCC[C@](C)(C#N)[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258905056 807671491 /nfs/dbraw/zinc/67/14/91/807671491.db2.gz ONPLHOGGSJYPCA-HUUCEWRRSA-N 2 2 253.434 3.169 20 30 CGEDLP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001171222920 808011993 /nfs/dbraw/zinc/01/19/93/808011993.db2.gz JKSJNTPTZHNPTM-OAHLLOKOSA-N 2 2 294.402 3.023 20 30 CGEDLP C[C@@H](CC#N)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976831 808163483 /nfs/dbraw/zinc/16/34/83/808163483.db2.gz ULGWQPGFBIYBAL-RDJZCZTQSA-N 2 2 285.435 3.321 20 30 CGEDLP C[C@@H](CC#N)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976831 808163491 /nfs/dbraw/zinc/16/34/91/808163491.db2.gz ULGWQPGFBIYBAL-RDJZCZTQSA-N 2 2 285.435 3.321 20 30 CGEDLP CCCCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001222696828 816502724 /nfs/dbraw/zinc/50/27/24/816502724.db2.gz LLMOJTDOMXPMHY-IRXDYDNUSA-N 2 2 282.472 3.190 20 30 CGEDLP CCCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001222696828 816502728 /nfs/dbraw/zinc/50/27/28/816502728.db2.gz LLMOJTDOMXPMHY-IRXDYDNUSA-N 2 2 282.472 3.190 20 30 CGEDLP C#Cc1cccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC001231661906 818151601 /nfs/dbraw/zinc/15/16/01/818151601.db2.gz ZXEASJSVLRTKAG-UHFFFAOYSA-N 2 2 282.431 3.118 20 30 CGEDLP CCCCCCCCCC[N@H+](C)CC1=CS[C@H]([NH3+])N1 ZINC001236422262 819469527 /nfs/dbraw/zinc/46/95/27/819469527.db2.gz DWBYUINWYGHBQH-OAHLLOKOSA-N 2 2 285.501 3.479 20 30 CGEDLP CCCCCCCCCC[N@@H+](C)CC1=CS[C@H]([NH3+])N1 ZINC001236422262 819469531 /nfs/dbraw/zinc/46/95/31/819469531.db2.gz DWBYUINWYGHBQH-OAHLLOKOSA-N 2 2 285.501 3.479 20 30 CGEDLP Cc1ccc(C#N)cc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242542479 823025383 /nfs/dbraw/zinc/02/53/83/823025383.db2.gz JEVYTMWRASWBLG-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(C#N)cc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242542479 823025385 /nfs/dbraw/zinc/02/53/85/823025385.db2.gz JEVYTMWRASWBLG-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP C#CCC1([NH2+]CC[NH+]2C[C@H](C)C[C@@H](C)C2)CCCCC1 ZINC001308105271 933050502 /nfs/dbraw/zinc/05/05/02/933050502.db2.gz JMOJGUKJUZWGTA-IAGOWNOFSA-N 2 2 276.468 3.280 20 30 CGEDLP C#CCCCCCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001332992418 935503068 /nfs/dbraw/zinc/50/30/68/935503068.db2.gz HBYDVCFSZKILBQ-QGZVFWFLSA-N 2 2 287.451 3.258 20 30 CGEDLP C#CCCCCCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001332992418 935503072 /nfs/dbraw/zinc/50/30/72/935503072.db2.gz HBYDVCFSZKILBQ-QGZVFWFLSA-N 2 2 287.451 3.258 20 30 CGEDLP C#CC[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCCc2ccccc21 ZINC001560172032 938245890 /nfs/dbraw/zinc/24/58/90/938245890.db2.gz MIEWMGOLLCVAGM-LJQANCHMSA-N 2 2 293.414 3.286 20 30 CGEDLP C#CC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCCc2ccccc21 ZINC001560172032 938245891 /nfs/dbraw/zinc/24/58/91/938245891.db2.gz MIEWMGOLLCVAGM-LJQANCHMSA-N 2 2 293.414 3.286 20 30 CGEDLP C=CC[C@H]1CC[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000651750597 398282040 /nfs/dbraw/zinc/28/20/40/398282040.db2.gz OUOUNRDMXPYVBC-LSDHHAIUSA-N 2 2 269.392 3.211 20 30 CGEDLP CC1(C)CC[C@@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593723814 347108373 /nfs/dbraw/zinc/10/83/73/347108373.db2.gz ZYYWCPWUELRNCV-SFHVURJKSA-N 2 2 297.446 3.301 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000598894859 347698376 /nfs/dbraw/zinc/69/83/76/347698376.db2.gz FKOJTEQXWGEIJK-HLLBOEOZSA-N 2 2 273.424 3.207 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C1CCC(C#N)CC1 ZINC000602503292 347971351 /nfs/dbraw/zinc/97/13/51/347971351.db2.gz LKPJVSWQYDDYLW-UHFFFAOYSA-N 2 2 296.418 3.407 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000602519778 347974818 /nfs/dbraw/zinc/97/48/18/347974818.db2.gz AASJKHMKTDAECS-ZDUSSCGKSA-N 2 2 286.354 3.041 20 30 CGEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602607473 347993009 /nfs/dbraw/zinc/99/30/09/347993009.db2.gz LBCGKHVMNNVYRB-QGPMSJSTSA-N 2 2 283.419 3.104 20 30 CGEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602607473 347993012 /nfs/dbraw/zinc/99/30/12/347993012.db2.gz LBCGKHVMNNVYRB-QGPMSJSTSA-N 2 2 283.419 3.104 20 30 CGEDLP CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000618280001 349064787 /nfs/dbraw/zinc/06/47/87/349064787.db2.gz QJRJTSSCKSVUAR-HNNXBMFYSA-N 2 2 274.412 3.240 20 30 CGEDLP CC(C)(C#N)CCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000618280001 349064790 /nfs/dbraw/zinc/06/47/90/349064790.db2.gz QJRJTSSCKSVUAR-HNNXBMFYSA-N 2 2 274.412 3.240 20 30 CGEDLP C=CCC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000178677660 189136553 /nfs/dbraw/zinc/13/65/53/189136553.db2.gz QFUHOCBMNHCMGI-IBGZPJMESA-N 2 2 299.462 3.380 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC000439007776 372973121 /nfs/dbraw/zinc/97/31/21/372973121.db2.gz ZKVSFEWJFJGQGT-CVEARBPZSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC000439007776 372973125 /nfs/dbraw/zinc/97/31/25/372973125.db2.gz ZKVSFEWJFJGQGT-CVEARBPZSA-N 2 2 250.430 3.195 20 30 CGEDLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000442853292 373105425 /nfs/dbraw/zinc/10/54/25/373105425.db2.gz MKKRCRIDENGZRR-BHIYHBOVSA-N 2 2 297.446 3.179 20 30 CGEDLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000442853292 373105435 /nfs/dbraw/zinc/10/54/35/373105435.db2.gz MKKRCRIDENGZRR-BHIYHBOVSA-N 2 2 297.446 3.179 20 30 CGEDLP Cc1ccc(CCC[NH2+]CC2CCC(C#N)CC2)c[nH+]1 ZINC000443060236 373146945 /nfs/dbraw/zinc/14/69/45/373146945.db2.gz FGSDKEUDTVURNP-UHFFFAOYSA-N 2 2 271.408 3.242 20 30 CGEDLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449737940 373865329 /nfs/dbraw/zinc/86/53/29/373865329.db2.gz WEWWPHKHQVLHCY-UHFFFAOYSA-N 2 2 283.350 3.123 20 30 CGEDLP C[C@H]([NH2+]CCCCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000180657194 374032462 /nfs/dbraw/zinc/03/24/62/374032462.db2.gz WNJZJLVNOCXLHZ-AWEZNQCLSA-N 2 2 268.364 3.217 20 30 CGEDLP N#C[C@H]1CCC[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000185754637 374730203 /nfs/dbraw/zinc/73/02/03/374730203.db2.gz GQYANUQUANTYLV-QXAKKESOSA-N 2 2 297.446 3.495 20 30 CGEDLP N#Cc1csc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000507509460 375710210 /nfs/dbraw/zinc/71/02/10/375710210.db2.gz LYPQEZVJKPKYHI-UHFFFAOYSA-N 2 2 294.383 3.095 20 30 CGEDLP C=CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1Cl ZINC000516082854 375817761 /nfs/dbraw/zinc/81/77/61/375817761.db2.gz FKFSCKDYJDHVOW-JSGCOSHPSA-N 2 2 294.826 3.216 20 30 CGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1Cl ZINC000516082854 375817765 /nfs/dbraw/zinc/81/77/65/375817765.db2.gz FKFSCKDYJDHVOW-JSGCOSHPSA-N 2 2 294.826 3.216 20 30 CGEDLP C=CCCCCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000193456501 375879355 /nfs/dbraw/zinc/87/93/55/375879355.db2.gz ZVPKHSCFSJVWCY-INIZCTEOSA-N 2 2 275.440 3.421 20 30 CGEDLP C=CCCCCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000193456501 375879362 /nfs/dbraw/zinc/87/93/62/375879362.db2.gz ZVPKHSCFSJVWCY-INIZCTEOSA-N 2 2 275.440 3.421 20 30 CGEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000565155302 377483498 /nfs/dbraw/zinc/48/34/98/377483498.db2.gz DABOPCQFCUSQPG-OAHLLOKOSA-N 2 2 286.423 3.074 20 30 CGEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000565155302 377483502 /nfs/dbraw/zinc/48/35/02/377483502.db2.gz DABOPCQFCUSQPG-OAHLLOKOSA-N 2 2 286.423 3.074 20 30 CGEDLP C#CCC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280135580 379616126 /nfs/dbraw/zinc/61/61/26/379616126.db2.gz BISSUHLJODRIPD-UHFFFAOYSA-N 2 2 267.376 3.005 20 30 CGEDLP CCC1([NH+]2CCCC2)CC[NH+](CC#Cc2ccccc2)CC1 ZINC000639986781 379676268 /nfs/dbraw/zinc/67/62/68/379676268.db2.gz RQSGPRIZXLVFAM-UHFFFAOYSA-N 2 2 296.458 3.379 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)C1CC1 ZINC000372186978 392591249 /nfs/dbraw/zinc/59/12/49/392591249.db2.gz UEVBSYMAZCNOBB-CVEARBPZSA-N 2 2 273.424 3.403 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCO[C@@H](CC)C1)C(C)C ZINC000648417392 393007308 /nfs/dbraw/zinc/00/73/08/393007308.db2.gz DECMQSZKYYZCJU-OKZBNKHCSA-N 2 2 294.483 3.232 20 30 CGEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848780 419118604 /nfs/dbraw/zinc/11/86/04/419118604.db2.gz KIYFBRCBWFYXBS-ARFHVFGLSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848780 419118605 /nfs/dbraw/zinc/11/86/05/419118605.db2.gz KIYFBRCBWFYXBS-ARFHVFGLSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCOc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1Cl ZINC000656782634 419218508 /nfs/dbraw/zinc/21/85/08/419218508.db2.gz HXRFPPPXBNTWIK-UHFFFAOYSA-N 2 2 282.815 3.074 20 30 CGEDLP C=CCOc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1Cl ZINC000656782634 419218512 /nfs/dbraw/zinc/21/85/12/419218512.db2.gz HXRFPPPXBNTWIK-UHFFFAOYSA-N 2 2 282.815 3.074 20 30 CGEDLP C=CCOc1ccccc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000353107334 262441425 /nfs/dbraw/zinc/44/14/25/262441425.db2.gz FHHPTINSJPXAHN-UHFFFAOYSA-N 2 2 288.435 3.214 20 30 CGEDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000528010831 270151054 /nfs/dbraw/zinc/15/10/54/270151054.db2.gz KBPXNILNRIQHMY-KBXCAEBGSA-N 2 2 283.419 3.226 20 30 CGEDLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000528010831 270151055 /nfs/dbraw/zinc/15/10/55/270151055.db2.gz KBPXNILNRIQHMY-KBXCAEBGSA-N 2 2 283.419 3.226 20 30 CGEDLP CC[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(C#N)cc1 ZINC000423404248 280190392 /nfs/dbraw/zinc/19/03/92/280190392.db2.gz ZOLZBPAEKFUJNZ-IAGOWNOFSA-N 2 2 285.435 3.377 20 30 CGEDLP N#Cc1cccc(C2([NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)CC2)c1 ZINC000572868805 322359093 /nfs/dbraw/zinc/35/90/93/322359093.db2.gz HTMWMFJNGHUXKR-QZTJIDSGSA-N 2 2 289.382 3.282 20 30 CGEDLP C=CCC(C)(C)C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000559308768 327157291 /nfs/dbraw/zinc/15/72/91/327157291.db2.gz YDCHRKCTENHPHG-UHFFFAOYSA-N 2 2 257.381 3.335 20 30 CGEDLP CC[C@H](CC#N)[NH2+]Cc1cccc(C[NH2+][C@@H](CC)CC#N)c1 ZINC000569706500 327538765 /nfs/dbraw/zinc/53/87/65/327538765.db2.gz PBKNPOLMNUORJW-HDICACEKSA-N 2 2 298.434 3.250 20 30 CGEDLP C=CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000377758532 329028246 /nfs/dbraw/zinc/02/82/46/329028246.db2.gz XGZFWJLITJUXMM-OCCSQVGLSA-N 2 2 271.364 3.157 20 30 CGEDLP C=CCC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000377758532 329028248 /nfs/dbraw/zinc/02/82/48/329028248.db2.gz XGZFWJLITJUXMM-OCCSQVGLSA-N 2 2 271.364 3.157 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2sc(C)nc2C)CC1 ZINC000177909546 329190330 /nfs/dbraw/zinc/19/03/30/329190330.db2.gz LNMBCFSLEBNCIN-GFCCVEGCSA-N 2 2 279.453 3.061 20 30 CGEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000424285353 330334100 /nfs/dbraw/zinc/33/41/00/330334100.db2.gz DPQGNINBSYDDMS-ZVZYQTTQSA-N 2 2 297.402 3.114 20 30 CGEDLP C[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000450714679 330995298 /nfs/dbraw/zinc/99/52/98/330995298.db2.gz VNXZTIJQDSJRSZ-CQSZACIVSA-N 2 2 280.375 3.217 20 30 CGEDLP C=CCC[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)C1CC1 ZINC000453402812 331128862 /nfs/dbraw/zinc/12/88/62/331128862.db2.gz PVQVEFNYYAWQJN-HNNXBMFYSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C1CC1 ZINC000453402812 331128863 /nfs/dbraw/zinc/12/88/63/331128863.db2.gz PVQVEFNYYAWQJN-HNNXBMFYSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCCC[C@H](C)[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000538148196 333576618 /nfs/dbraw/zinc/57/66/18/333576618.db2.gz RPNSIAMBAMFUPZ-INIZCTEOSA-N 2 2 273.424 3.257 20 30 CGEDLP C=CCC[C@@H](C)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000381066014 336047819 /nfs/dbraw/zinc/04/78/19/336047819.db2.gz NCKXKMQJVNUOKO-HZPDHXFCSA-N 2 2 260.425 3.451 20 30 CGEDLP C=CCC[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000381066014 336047820 /nfs/dbraw/zinc/04/78/20/336047820.db2.gz NCKXKMQJVNUOKO-HZPDHXFCSA-N 2 2 260.425 3.451 20 30 CGEDLP C=CCOc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000352854264 526865974 /nfs/dbraw/zinc/86/59/74/526865974.db2.gz RWANFASXNQOCII-UHFFFAOYSA-N 2 2 297.402 3.354 20 30 CGEDLP CC(C)CC[NH+]1CCC([NH2+]CC2(C#N)CCCC2)CC1 ZINC000926880779 618964795 /nfs/dbraw/zinc/96/47/95/618964795.db2.gz PPTSMLQQEBYXSQ-UHFFFAOYSA-N 2 2 277.456 3.170 20 30 CGEDLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1csc(C#N)c1 ZINC000895507840 619838599 /nfs/dbraw/zinc/83/85/99/619838599.db2.gz ABQZZHJAZZSQEC-BBRMVZONSA-N 2 2 291.464 3.172 20 30 CGEDLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1csc(C#N)c1 ZINC000895507840 619838600 /nfs/dbraw/zinc/83/86/00/619838600.db2.gz ABQZZHJAZZSQEC-BBRMVZONSA-N 2 2 291.464 3.172 20 30 CGEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903010324 621532800 /nfs/dbraw/zinc/53/28/00/621532800.db2.gz KMFHFAYRIYPCQB-QGTPRVQTSA-N 2 2 297.402 3.257 20 30 CGEDLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000903047550 621554753 /nfs/dbraw/zinc/55/47/53/621554753.db2.gz PQTVFYJLHNUMLW-IAGOWNOFSA-N 2 2 285.435 3.472 20 30 CGEDLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000903047550 621554755 /nfs/dbraw/zinc/55/47/55/621554755.db2.gz PQTVFYJLHNUMLW-IAGOWNOFSA-N 2 2 285.435 3.472 20 30 CGEDLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000774207052 627963336 /nfs/dbraw/zinc/96/33/36/627963336.db2.gz FQMNHLUADMHLSI-YOEHRIQHSA-N 2 2 271.408 3.083 20 30 CGEDLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000774207052 627963338 /nfs/dbraw/zinc/96/33/38/627963338.db2.gz FQMNHLUADMHLSI-YOEHRIQHSA-N 2 2 271.408 3.083 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccccn2)C(C)C)CC1 ZINC000866260726 633048852 /nfs/dbraw/zinc/04/88/52/633048852.db2.gz JRLVEYPAGWWTMC-KRWDZBQOSA-N 2 2 273.424 3.019 20 30 CGEDLP CCC1([NH+]2CCCCC2)CC[NH+](CC2(CC#N)CC2)CC1 ZINC000880254543 635957939 /nfs/dbraw/zinc/95/79/39/635957939.db2.gz GFKASHFJMGYHTH-UHFFFAOYSA-N 2 2 289.467 3.411 20 30 CGEDLP C=C(Cl)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000130915313 636528402 /nfs/dbraw/zinc/52/84/02/636528402.db2.gz IXHXGMGILDVLLG-GFCCVEGCSA-N 2 2 261.756 3.275 20 30 CGEDLP C[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)[NH+]1CCC(C)CC1 ZINC000924849673 638412999 /nfs/dbraw/zinc/41/29/99/638412999.db2.gz IAGUMRFOLXUZPI-LSDHHAIUSA-N 2 2 265.445 3.025 20 30 CGEDLP C=C(Br)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213241 639110663 /nfs/dbraw/zinc/11/06/63/639110663.db2.gz FEUDWOKXVIUYHT-UHFFFAOYSA-N 2 2 297.240 3.089 20 30 CGEDLP C=C(Br)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213241 639110670 /nfs/dbraw/zinc/11/06/70/639110670.db2.gz FEUDWOKXVIUYHT-UHFFFAOYSA-N 2 2 297.240 3.089 20 30 CGEDLP CC[C@@H](CC#N)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716624554 800176866 /nfs/dbraw/zinc/17/68/66/800176866.db2.gz IHLVLWWNHDNZAM-OKYOBFRVSA-N 2 2 297.446 3.321 20 30 CGEDLP CC[C@@H](CC#N)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624554 800176870 /nfs/dbraw/zinc/17/68/70/800176870.db2.gz IHLVLWWNHDNZAM-OKYOBFRVSA-N 2 2 297.446 3.321 20 30 CGEDLP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1C#N ZINC001244494495 803402920 /nfs/dbraw/zinc/40/29/20/803402920.db2.gz XMEIOESKDOKAJO-IBGZPJMESA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1C#N ZINC001244494495 803402926 /nfs/dbraw/zinc/40/29/26/803402926.db2.gz XMEIOESKDOKAJO-IBGZPJMESA-N 2 2 291.398 3.067 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[NH2+]CC[NH2+]CC ZINC001245991903 804095732 /nfs/dbraw/zinc/09/57/32/804095732.db2.gz IEEVGLBBGROVIJ-MRXNPFEDSA-N 2 2 272.477 3.077 20 30 CGEDLP CCCCCCCC[C@@H](O)C[NH2+][C@@H]1C[NH2+]CCC1(C)C ZINC001246004336 804097921 /nfs/dbraw/zinc/09/79/21/804097921.db2.gz OSVQMVULCHDDNG-HZPDHXFCSA-N 2 2 284.488 3.076 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246025022 804099992 /nfs/dbraw/zinc/09/99/92/804099992.db2.gz KBVPMFOHNLZDQU-ROUUACIJSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]2)C1 ZINC001246025022 804100007 /nfs/dbraw/zinc/10/00/07/804100007.db2.gz KBVPMFOHNLZDQU-ROUUACIJSA-N 2 2 296.499 3.316 20 30 CGEDLP CC(C)[N@H+](Cc1cc(F)cc(C#N)c1)C1CC[NH+](C)CC1 ZINC001139878890 804307379 /nfs/dbraw/zinc/30/73/79/804307379.db2.gz YYQAWCGKVCYLEM-UHFFFAOYSA-N 2 2 289.398 3.002 20 30 CGEDLP CC(C)[N@@H+](Cc1cc(F)cc(C#N)c1)C1CC[NH+](C)CC1 ZINC001139878890 804307388 /nfs/dbraw/zinc/30/73/88/804307388.db2.gz YYQAWCGKVCYLEM-UHFFFAOYSA-N 2 2 289.398 3.002 20 30 CGEDLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(CC#N)CC1 ZINC001140028152 804355987 /nfs/dbraw/zinc/35/59/87/804355987.db2.gz MXUWLDVRACWGMV-UHFFFAOYSA-N 2 2 294.402 3.306 20 30 CGEDLP C=C1C[C@@H]2CC([NH+]3C[C@H]4CCC[N@@H+](C)[C@@H]4C3)C[C@H](C1)C2 ZINC001257894353 807244021 /nfs/dbraw/zinc/24/40/21/807244021.db2.gz QMCWDRPXQMFYGN-YUGHNKOSSA-N 2 2 274.452 3.147 20 30 CGEDLP C=C1C[C@@H]2CC([NH+]3C[C@H]4CCC[N@H+](C)[C@@H]4C3)C[C@H](C1)C2 ZINC001257894353 807244027 /nfs/dbraw/zinc/24/40/27/807244027.db2.gz QMCWDRPXQMFYGN-YUGHNKOSSA-N 2 2 274.452 3.147 20 30 CGEDLP C=C1C[C@@H]2CC([N@@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)C[C@H](C1)C2 ZINC001257894353 807244034 /nfs/dbraw/zinc/24/40/34/807244034.db2.gz QMCWDRPXQMFYGN-YUGHNKOSSA-N 2 2 274.452 3.147 20 30 CGEDLP C=C1C[C@@H]2CC([N@H+]3C[C@H]4CCC[NH+](C)[C@@H]4C3)C[C@H](C1)C2 ZINC001257894353 807244037 /nfs/dbraw/zinc/24/40/37/807244037.db2.gz QMCWDRPXQMFYGN-YUGHNKOSSA-N 2 2 274.452 3.147 20 30 CGEDLP C[C@@H]1C[C@@H]([NH+]2CC(CC#N)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168041273 807303074 /nfs/dbraw/zinc/30/30/74/807303074.db2.gz RKUMPFNQWJDWJK-HGKCTWBKSA-N 2 2 297.446 3.273 20 30 CGEDLP C[C@@H]1C[C@@H]([NH+]2CC(CC#N)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041273 807303080 /nfs/dbraw/zinc/30/30/80/807303080.db2.gz RKUMPFNQWJDWJK-HGKCTWBKSA-N 2 2 297.446 3.273 20 30 CGEDLP CCCCCCC[C@H](CC(C)C)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001258715647 807566303 /nfs/dbraw/zinc/56/63/03/807566303.db2.gz JAWOCIDYLGNYEP-BZUAXINKSA-N 2 2 270.461 3.077 20 30 CGEDLP Cc1c[nH+]cc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c1C ZINC001213523227 815297355 /nfs/dbraw/zinc/29/73/55/815297355.db2.gz NSCQUVRTOLMNGQ-UHFFFAOYSA-N 2 2 298.415 3.363 20 30 CGEDLP Cc1c[nH+]cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1C ZINC001213523227 815297358 /nfs/dbraw/zinc/29/73/58/815297358.db2.gz NSCQUVRTOLMNGQ-UHFFFAOYSA-N 2 2 298.415 3.363 20 30 CGEDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC(CC#N)CC1 ZINC001173330894 928228848 /nfs/dbraw/zinc/22/88/48/928228848.db2.gz WRPQLAXDOWGPLW-GTPINHCMSA-N 2 2 277.456 3.169 20 30 CGEDLP C=CC[C@H]1CC[C@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000651716074 398274404 /nfs/dbraw/zinc/27/44/04/398274404.db2.gz KFXWJQOTFXTLBP-HOTGVXAUSA-N 2 2 294.483 3.210 20 30 CGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1C[C@H]1C ZINC000593691922 347103517 /nfs/dbraw/zinc/10/35/17/347103517.db2.gz VJRKURRFLYWSFA-ZRGWGRIASA-N 2 2 297.446 3.157 20 30 CGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@H]1C[C@H]1C ZINC000593691919 347103575 /nfs/dbraw/zinc/10/35/75/347103575.db2.gz VJRKURRFLYWSFA-CLCXKQKWSA-N 2 2 297.446 3.157 20 30 CGEDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000594723577 347213166 /nfs/dbraw/zinc/21/31/66/347213166.db2.gz LHXOHJAJTCMSJD-XJKSGUPXSA-N 2 2 271.408 3.082 20 30 CGEDLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000594723577 347213170 /nfs/dbraw/zinc/21/31/70/347213170.db2.gz LHXOHJAJTCMSJD-XJKSGUPXSA-N 2 2 271.408 3.082 20 30 CGEDLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(C#N)CCCCC1 ZINC000594740613 347216037 /nfs/dbraw/zinc/21/60/37/347216037.db2.gz ZWHGANLOIOCBKN-HOTGVXAUSA-N 2 2 277.456 3.361 20 30 CGEDLP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000595051906 347270053 /nfs/dbraw/zinc/27/00/53/347270053.db2.gz XCBQGNDMPVJLJX-IAGOWNOFSA-N 2 2 285.435 3.472 20 30 CGEDLP CC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000595051906 347270055 /nfs/dbraw/zinc/27/00/55/347270055.db2.gz XCBQGNDMPVJLJX-IAGOWNOFSA-N 2 2 285.435 3.472 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000602564466 347982578 /nfs/dbraw/zinc/98/25/78/347982578.db2.gz GRPSMHQLBXPKET-DOTOQJQBSA-N 2 2 296.418 3.233 20 30 CGEDLP CC[C@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)[NH+]1CCCC1 ZINC000611390583 348444553 /nfs/dbraw/zinc/44/45/53/348444553.db2.gz JFWZPSGUKUCRIA-MJGOQNOKSA-N 2 2 297.446 3.400 20 30 CGEDLP C=CCC[C@H](CC)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000624188928 349996361 /nfs/dbraw/zinc/99/63/61/349996361.db2.gz MGCFYVOUXXIIBM-GOEBONIOSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@H](CC)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000624188928 349996362 /nfs/dbraw/zinc/99/63/62/349996362.db2.gz MGCFYVOUXXIIBM-GOEBONIOSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)s2)CC1 ZINC000177904570 189078479 /nfs/dbraw/zinc/07/84/79/189078479.db2.gz OVODCEUOTKYMDG-ZDUSSCGKSA-N 2 2 264.438 3.358 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccsc2)CC1 ZINC000177912573 189079056 /nfs/dbraw/zinc/07/90/56/189079056.db2.gz GYLAVEUCXMHLEL-LBPRGKRZSA-N 2 2 250.411 3.049 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccsc2)CC1 ZINC000177912587 189079119 /nfs/dbraw/zinc/07/91/19/189079119.db2.gz GYLAVEUCXMHLEL-GFCCVEGCSA-N 2 2 250.411 3.049 20 30 CGEDLP CC(C)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181392337 189295680 /nfs/dbraw/zinc/29/56/80/189295680.db2.gz SMXHTNKRHRGWAK-UHFFFAOYSA-N 2 2 285.435 3.158 20 30 CGEDLP CC(C)(CCC#N)C[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000092785915 370100669 /nfs/dbraw/zinc/10/06/69/370100669.db2.gz PHEHGCFBMHLFLO-INIZCTEOSA-N 2 2 277.456 3.267 20 30 CGEDLP CC(C)(CCC#N)C[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000092785915 370100675 /nfs/dbraw/zinc/10/06/75/370100675.db2.gz PHEHGCFBMHLFLO-INIZCTEOSA-N 2 2 277.456 3.267 20 30 CGEDLP C=CC[C@@H]1[N@H+](Cc2c[nH+]c(N(C)C)n2C)CCCC1(C)C ZINC000425337726 372121847 /nfs/dbraw/zinc/12/18/47/372121847.db2.gz NRBANSYHPWOOCJ-HNNXBMFYSA-N 2 2 290.455 3.053 20 30 CGEDLP C=CC[C@@H]1[N@@H+](Cc2c[nH+]c(N(C)C)n2C)CCCC1(C)C ZINC000425337726 372121854 /nfs/dbraw/zinc/12/18/54/372121854.db2.gz NRBANSYHPWOOCJ-HNNXBMFYSA-N 2 2 290.455 3.053 20 30 CGEDLP C=CCC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)C1CC1 ZINC000439004660 372971903 /nfs/dbraw/zinc/97/19/03/372971903.db2.gz RGVLPUSTDIBBPQ-QGZVFWFLSA-N 2 2 294.483 3.210 20 30 CGEDLP N#Cc1ccccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172576747 372990905 /nfs/dbraw/zinc/99/09/05/372990905.db2.gz CKDUXDUEIWOMCV-SFHVURJKSA-N 2 2 283.419 3.009 20 30 CGEDLP N#Cc1ccccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172576747 372990915 /nfs/dbraw/zinc/99/09/15/372990915.db2.gz CKDUXDUEIWOMCV-SFHVURJKSA-N 2 2 283.419 3.009 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(C#N)cc2)CC1 ZINC000447525580 373443769 /nfs/dbraw/zinc/44/37/69/373443769.db2.gz ATOZCOQTEQADSA-SFHVURJKSA-N 2 2 283.419 3.249 20 30 CGEDLP C=CCCC[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309850782 374199629 /nfs/dbraw/zinc/19/96/29/374199629.db2.gz AIEOIFOFBDWLSF-RDJZCZTQSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CCCC[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309850782 374199636 /nfs/dbraw/zinc/19/96/36/374199636.db2.gz AIEOIFOFBDWLSF-RDJZCZTQSA-N 2 2 258.409 3.205 20 30 CGEDLP Clc1cccc(C#CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000269612511 378243255 /nfs/dbraw/zinc/24/32/55/378243255.db2.gz FRQJBWOSSOBMTQ-OAHLLOKOSA-N 2 2 299.805 3.294 20 30 CGEDLP Clc1cccc(C#CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000269612511 378243260 /nfs/dbraw/zinc/24/32/60/378243260.db2.gz FRQJBWOSSOBMTQ-OAHLLOKOSA-N 2 2 299.805 3.294 20 30 CGEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271095858 378452434 /nfs/dbraw/zinc/45/24/34/378452434.db2.gz YSXNKLWVHCTGNR-JLAWEPINSA-N 2 2 297.446 3.074 20 30 CGEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271095858 378452440 /nfs/dbraw/zinc/45/24/40/378452440.db2.gz YSXNKLWVHCTGNR-JLAWEPINSA-N 2 2 297.446 3.074 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C)CC2)CC1 ZINC000641719074 380060826 /nfs/dbraw/zinc/06/08/26/380060826.db2.gz KYJYPKOYQWINSW-LSDHHAIUSA-N 2 2 250.430 3.195 20 30 CGEDLP N#CC1(CC[NH+]2CCC([NH+]3CCCC3)CC2)CCCCC1 ZINC000411178807 380132275 /nfs/dbraw/zinc/13/22/75/380132275.db2.gz YRJIPMORDRWDAY-UHFFFAOYSA-N 2 2 289.467 3.411 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414110628 380191745 /nfs/dbraw/zinc/19/17/45/380191745.db2.gz IHAPKLSCDZHUHG-HZPDHXFCSA-N 2 2 294.483 3.209 20 30 CGEDLP CC[C@H](C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000421388526 380934223 /nfs/dbraw/zinc/93/42/23/380934223.db2.gz UFIHLHCBWLDXNJ-HNNXBMFYSA-N 2 2 285.435 3.158 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)c3ccccc32)CC1 ZINC000289102644 392413697 /nfs/dbraw/zinc/41/36/97/392413697.db2.gz CGPTUJVZGHIPRC-RDTXWAMCSA-N 2 2 270.420 3.475 20 30 CGEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553822 392767743 /nfs/dbraw/zinc/76/77/43/392767743.db2.gz KFRCFUDAHMSAQV-QGZVFWFLSA-N 2 2 286.419 3.016 20 30 CGEDLP C=C(CC)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337439398 392886790 /nfs/dbraw/zinc/88/67/90/392886790.db2.gz LHYXSMBEKQYBMK-OAHLLOKOSA-N 2 2 273.424 3.365 20 30 CGEDLP C=C(CC)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337439398 392886797 /nfs/dbraw/zinc/88/67/97/392886797.db2.gz LHYXSMBEKQYBMK-OAHLLOKOSA-N 2 2 273.424 3.365 20 30 CGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000349377542 393146631 /nfs/dbraw/zinc/14/66/31/393146631.db2.gz JKZJCILCUIJNQO-AHCXZYCDSA-N 2 2 283.419 3.104 20 30 CGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000349377542 393146638 /nfs/dbraw/zinc/14/66/38/393146638.db2.gz JKZJCILCUIJNQO-AHCXZYCDSA-N 2 2 283.419 3.104 20 30 CGEDLP C=CC[C@H]1[N@@H+](Cc2c[nH+]c3n2CCC3)CCCC1(C)C ZINC000668069956 542965279 /nfs/dbraw/zinc/96/52/79/542965279.db2.gz FHIUKJJFFYMBGI-OAHLLOKOSA-N 2 2 273.424 3.396 20 30 CGEDLP C=CC[C@H]1[N@H+](Cc2c[nH+]c3n2CCC3)CCCC1(C)C ZINC000668069956 542965282 /nfs/dbraw/zinc/96/52/82/542965282.db2.gz FHIUKJJFFYMBGI-OAHLLOKOSA-N 2 2 273.424 3.396 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(COC)cs2)CC1 ZINC000657353568 419257791 /nfs/dbraw/zinc/25/77/91/419257791.db2.gz RVOMZAGZVPGPSG-UHFFFAOYSA-N 2 2 294.464 3.025 20 30 CGEDLP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c(C(C)C)n2)CC1 ZINC000110586328 262257897 /nfs/dbraw/zinc/25/78/97/262257897.db2.gz ABGFQLHIETYVMS-UHFFFAOYSA-N 2 2 274.412 3.052 20 30 CGEDLP C=CCOc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000370261570 267305329 /nfs/dbraw/zinc/30/53/29/267305329.db2.gz NCJJDYMQTHQKEP-UHFFFAOYSA-N 2 2 297.402 3.074 20 30 CGEDLP C=CCCCCC[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000536360561 327231643 /nfs/dbraw/zinc/23/16/43/327231643.db2.gz HQWHGNMPKORRLB-UHFFFAOYSA-N 2 2 273.424 3.258 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453105286 331089622 /nfs/dbraw/zinc/08/96/22/331089622.db2.gz WLFVAFUFHDBSNE-UHFFFAOYSA-N 2 2 284.447 3.174 20 30 CGEDLP C[C@@H](C[NH2+]CC(C)(C)CCC#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000174270137 335151688 /nfs/dbraw/zinc/15/16/88/335151688.db2.gz MJKZQIQAEOAQLB-CABCVRRESA-N 2 2 265.445 3.026 20 30 CGEDLP C[C@@H](C[NH2+]CC(C)(C)CCC#N)[N@H+]1CCC[C@@H](C)C1 ZINC000174270137 335151690 /nfs/dbraw/zinc/15/16/90/335151690.db2.gz MJKZQIQAEOAQLB-CABCVRRESA-N 2 2 265.445 3.026 20 30 CGEDLP CC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(C#N)c1 ZINC000902836146 621467638 /nfs/dbraw/zinc/46/76/38/621467638.db2.gz SXRQTPZSIWPPQQ-QGZVFWFLSA-N 2 2 294.402 3.496 20 30 CGEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccccc1Cl ZINC000776182642 628177234 /nfs/dbraw/zinc/17/72/34/628177234.db2.gz CCOCGEDJTIGVHP-UHFFFAOYSA-N 2 2 274.755 3.247 20 30 CGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000817941874 632240520 /nfs/dbraw/zinc/24/05/20/632240520.db2.gz STCOWUGESNEQTG-DZGCQCFKSA-N 2 2 294.826 3.221 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2ccccn2)C(C)C)CC1 ZINC000866261753 633050144 /nfs/dbraw/zinc/05/01/44/633050144.db2.gz ZDQNEPHLKFFKPA-GOSISDBHSA-N 2 2 287.451 3.409 20 30 CGEDLP CC1([NH+]2CCCCC2)CC[NH+](CC2(CC#N)CC2)CC1 ZINC000879951742 635886502 /nfs/dbraw/zinc/88/65/02/635886502.db2.gz PHRNEEQIGUXMMJ-UHFFFAOYSA-N 2 2 275.440 3.021 20 30 CGEDLP C=CCCCCC[C@@H](C)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925751436 638596935 /nfs/dbraw/zinc/59/69/35/638596935.db2.gz LYIPDEJZAYQIIT-CYBMUJFWSA-N 2 2 293.480 3.485 20 30 CGEDLP C=CCCCCC[C@@H](C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925751436 638596943 /nfs/dbraw/zinc/59/69/43/638596943.db2.gz LYIPDEJZAYQIIT-CYBMUJFWSA-N 2 2 293.480 3.485 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000926746772 638806647 /nfs/dbraw/zinc/80/66/47/638806647.db2.gz UOTWNZNLLAXWOY-GDBMZVCRSA-N 2 2 277.456 3.311 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000926746772 638806649 /nfs/dbraw/zinc/80/66/49/638806649.db2.gz UOTWNZNLLAXWOY-GDBMZVCRSA-N 2 2 277.456 3.311 20 30 CGEDLP CCCC[N@H+](CCC#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033819 639101230 /nfs/dbraw/zinc/10/12/30/639101230.db2.gz UWLZVQSVDFFXPC-UHFFFAOYSA-N 2 2 265.445 3.311 20 30 CGEDLP CCCC[N@@H+](CCC#N)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033819 639101231 /nfs/dbraw/zinc/10/12/31/639101231.db2.gz UWLZVQSVDFFXPC-UHFFFAOYSA-N 2 2 265.445 3.311 20 30 CGEDLP CCCCCCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC000717569289 800204419 /nfs/dbraw/zinc/20/44/19/800204419.db2.gz QUIHVRJHWNUKLI-QGZVFWFLSA-N 2 2 282.472 3.191 20 30 CGEDLP CCCCCCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC000717569289 800204426 /nfs/dbraw/zinc/20/44/26/800204426.db2.gz QUIHVRJHWNUKLI-QGZVFWFLSA-N 2 2 282.472 3.191 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246022572 804100684 /nfs/dbraw/zinc/10/06/84/804100684.db2.gz KZJRZZXGUQPPJC-ZWKOTPCHSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246022572 804100686 /nfs/dbraw/zinc/10/06/86/804100686.db2.gz KZJRZZXGUQPPJC-ZWKOTPCHSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246028161 804103117 /nfs/dbraw/zinc/10/31/17/804103117.db2.gz ZWXVHUMBGFNKJM-ROUUACIJSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246028161 804103123 /nfs/dbraw/zinc/10/31/23/804103123.db2.gz ZWXVHUMBGFNKJM-ROUUACIJSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCC[C@H](CC(C)C)[NH2+][C@@H]1COC[C@@H]1[NH3+] ZINC001246120782 804151436 /nfs/dbraw/zinc/15/14/36/804151436.db2.gz JAWOCIDYLGNYEP-OWCLPIDISA-N 2 2 270.461 3.077 20 30 CGEDLP CCCCCCC[C@H](CC(C)C)[NH2+][C@H]1CCOC12C[NH2+]C2 ZINC001246124990 804152811 /nfs/dbraw/zinc/15/28/11/804152811.db2.gz IDVZBYSUCMMXIC-SJORKVTESA-N 2 2 296.499 3.482 20 30 CGEDLP C=C1C[C@@H]2CC([NH2+]C[C@@H]([NH3+])c3ccccc3)C[C@H](C1)C2 ZINC001246278415 804254848 /nfs/dbraw/zinc/25/48/48/804254848.db2.gz GNKPDZHRXNUJAK-HLVPYZJISA-N 2 2 270.420 3.411 20 30 CGEDLP CCCC[N@H+](CCC#N)[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246768732 804502757 /nfs/dbraw/zinc/50/27/57/804502757.db2.gz GXLIRNOYOAHLEB-ZSHCYNCHSA-N 2 2 265.445 3.311 20 30 CGEDLP CCCC[N@@H+](CCC#N)[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246768732 804502759 /nfs/dbraw/zinc/50/27/59/804502759.db2.gz GXLIRNOYOAHLEB-ZSHCYNCHSA-N 2 2 265.445 3.311 20 30 CGEDLP CCCC[C@H]1C[C@H]([N@H+](CCC#N)C2CCCC2)CC[NH2+]1 ZINC001246771314 804505198 /nfs/dbraw/zinc/50/51/98/804505198.db2.gz YJUZIUQUSXJUPR-DOTOQJQBSA-N 2 2 277.456 3.455 20 30 CGEDLP CCCC[C@H]1C[C@H]([N@@H+](CCC#N)C2CCCC2)CC[NH2+]1 ZINC001246771314 804505205 /nfs/dbraw/zinc/50/52/05/804505205.db2.gz YJUZIUQUSXJUPR-DOTOQJQBSA-N 2 2 277.456 3.455 20 30 CGEDLP C=C1C[C@@H]2CC([N@H+](CC)CCn3cc[nH+]c3)C[C@H](C1)C2 ZINC001257894199 807243962 /nfs/dbraw/zinc/24/39/62/807243962.db2.gz NFYWSAVQJQWWCH-SJPCQFCGSA-N 2 2 273.424 3.340 20 30 CGEDLP C=C1C[C@@H]2CC([N@@H+](CC)CCn3cc[nH+]c3)C[C@H](C1)C2 ZINC001257894199 807243967 /nfs/dbraw/zinc/24/39/67/807243967.db2.gz NFYWSAVQJQWWCH-SJPCQFCGSA-N 2 2 273.424 3.340 20 30 CGEDLP C[NH+]1C(C)(C)CC([NH2+]CC#Cc2ccccc2)CC1(C)C ZINC001171623599 808106947 /nfs/dbraw/zinc/10/69/47/808106947.db2.gz DBSTWWZRKPMDGB-UHFFFAOYSA-N 2 2 284.447 3.279 20 30 CGEDLP C[C@]1(C[NH3+])CCCC[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001206556816 813352297 /nfs/dbraw/zinc/35/22/97/813352297.db2.gz XPAZUZGTGJATHP-MRXNPFEDSA-N 2 2 291.826 3.163 20 30 CGEDLP C[C@]1(C[NH3+])CCCC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001206556816 813352305 /nfs/dbraw/zinc/35/23/05/813352305.db2.gz XPAZUZGTGJATHP-MRXNPFEDSA-N 2 2 291.826 3.163 20 30 CGEDLP C#CCCCCCC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001207058559 813477136 /nfs/dbraw/zinc/47/71/36/813477136.db2.gz OXDVRKBTVBOHJO-KRWDZBQOSA-N 2 2 262.441 3.177 20 30 CGEDLP C#CCCCCCC[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001207058559 813477144 /nfs/dbraw/zinc/47/71/44/813477144.db2.gz OXDVRKBTVBOHJO-KRWDZBQOSA-N 2 2 262.441 3.177 20 30 CGEDLP C=CC[N@H+]1CCC[C@H]1c1ccc(-c2c[nH+]cn2C)cc1 ZINC001243072666 823235807 /nfs/dbraw/zinc/23/58/07/823235807.db2.gz UMNZVMJGOSHHPP-INIZCTEOSA-N 2 2 267.376 3.410 20 30 CGEDLP C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2c[nH+]cn2C)cc1 ZINC001243072666 823235810 /nfs/dbraw/zinc/23/58/10/823235810.db2.gz UMNZVMJGOSHHPP-INIZCTEOSA-N 2 2 267.376 3.410 20 30 CGEDLP CCc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235178097 819026432 /nfs/dbraw/zinc/02/64/32/819026432.db2.gz UYRNKCDKMACZJV-IBGZPJMESA-N 2 2 297.446 3.229 20 30 CGEDLP CCc1cc(C#N)ccc1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235178097 819026434 /nfs/dbraw/zinc/02/64/34/819026434.db2.gz UYRNKCDKMACZJV-IBGZPJMESA-N 2 2 297.446 3.229 20 30 CGEDLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC001327793714 935084638 /nfs/dbraw/zinc/08/46/38/935084638.db2.gz VINLNGVLGBSVIW-MUYFXNHWSA-N 2 2 297.446 3.073 20 30 CGEDLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC001327793714 935084644 /nfs/dbraw/zinc/08/46/44/935084644.db2.gz VINLNGVLGBSVIW-MUYFXNHWSA-N 2 2 297.446 3.073 20 30 CGEDLP C#CCCCCCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001332992416 935503185 /nfs/dbraw/zinc/50/31/85/935503185.db2.gz HBYDVCFSZKILBQ-KRWDZBQOSA-N 2 2 287.451 3.258 20 30 CGEDLP C#CCCCCCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001332992416 935503189 /nfs/dbraw/zinc/50/31/89/935503189.db2.gz HBYDVCFSZKILBQ-KRWDZBQOSA-N 2 2 287.451 3.258 20 30 CGEDLP C=C[C@H](CC)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001333305936 935523864 /nfs/dbraw/zinc/52/38/64/935523864.db2.gz KPELUWXSOTUYTR-CYBMUJFWSA-N 2 2 284.363 3.117 20 30 CGEDLP C=CC[C@@H]1CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC001473865514 937826277 /nfs/dbraw/zinc/82/62/77/937826277.db2.gz VFXAWZRDSOEMRQ-MRXNPFEDSA-N 2 2 267.376 3.331 20 30 CGEDLP C=CC[C@@H]1CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC001473865514 937826278 /nfs/dbraw/zinc/82/62/78/937826278.db2.gz VFXAWZRDSOEMRQ-MRXNPFEDSA-N 2 2 267.376 3.331 20 30 CGEDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000593031756 347029465 /nfs/dbraw/zinc/02/94/65/347029465.db2.gz MWDYPSVQXBCXLI-IAGOWNOFSA-N 2 2 271.408 3.105 20 30 CGEDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000593031756 347029467 /nfs/dbraw/zinc/02/94/67/347029467.db2.gz MWDYPSVQXBCXLI-IAGOWNOFSA-N 2 2 271.408 3.105 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2C(C)(C)C2(C)C)CC1 ZINC000354328143 260232863 /nfs/dbraw/zinc/23/28/63/260232863.db2.gz IPIAFFGDXSHXKD-ZDUSSCGKSA-N 2 2 264.457 3.297 20 30 CGEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1Cl ZINC000237081341 346344237 /nfs/dbraw/zinc/34/42/37/346344237.db2.gz KRQGOCKQZRCGJL-CQSZACIVSA-N 2 2 294.826 3.089 20 30 CGEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1Cl ZINC000237081341 346344239 /nfs/dbraw/zinc/34/42/39/346344239.db2.gz KRQGOCKQZRCGJL-CQSZACIVSA-N 2 2 294.826 3.089 20 30 CGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)[C@@H]1C[C@H]1C ZINC000593691920 347103695 /nfs/dbraw/zinc/10/36/95/347103695.db2.gz VJRKURRFLYWSFA-SPYBWZPUSA-N 2 2 297.446 3.157 20 30 CGEDLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000594519767 347188242 /nfs/dbraw/zinc/18/82/42/347188242.db2.gz LIXUSJAEVQDWJS-BMGDILEWSA-N 2 2 283.419 3.226 20 30 CGEDLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000594519767 347188245 /nfs/dbraw/zinc/18/82/45/347188245.db2.gz LIXUSJAEVQDWJS-BMGDILEWSA-N 2 2 283.419 3.226 20 30 CGEDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000594723573 347213649 /nfs/dbraw/zinc/21/36/49/347213649.db2.gz LHXOHJAJTCMSJD-BBRMVZONSA-N 2 2 271.408 3.082 20 30 CGEDLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000594723573 347213653 /nfs/dbraw/zinc/21/36/53/347213653.db2.gz LHXOHJAJTCMSJD-BBRMVZONSA-N 2 2 271.408 3.082 20 30 CGEDLP C[C@H]1[C@@H]([NH2+]C2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000602664707 348004144 /nfs/dbraw/zinc/00/41/44/348004144.db2.gz QFNKBNFRTSPGLQ-GSHBMFQSSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@H]1[C@@H]([NH2+]C2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000602664707 348004145 /nfs/dbraw/zinc/00/41/45/348004145.db2.gz QFNKBNFRTSPGLQ-GSHBMFQSSA-N 2 2 297.446 3.321 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(C)o2)CC1 ZINC000153044081 188061298 /nfs/dbraw/zinc/06/12/98/188061298.db2.gz ZNWMGAHTIYWRHV-CQSZACIVSA-N 2 2 262.397 3.279 20 30 CGEDLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(C#N)cc1F ZINC000423266471 236014608 /nfs/dbraw/zinc/01/46/08/236014608.db2.gz SCXRLDMAGYDMOQ-SJCJKPOMSA-N 2 2 289.398 3.256 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2F)CC1 ZINC000177905415 189078611 /nfs/dbraw/zinc/07/86/11/189078611.db2.gz SHMVMWJYZVYFKS-ZDUSSCGKSA-N 2 2 292.398 3.135 20 30 CGEDLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cccc(C#N)c1 ZINC000182683207 189331236 /nfs/dbraw/zinc/33/12/36/189331236.db2.gz KQCMKRXRGOBKQS-INIZCTEOSA-N 2 2 293.414 3.168 20 30 CGEDLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cccc(C#N)c1 ZINC000182683207 189331237 /nfs/dbraw/zinc/33/12/37/189331237.db2.gz KQCMKRXRGOBKQS-INIZCTEOSA-N 2 2 293.414 3.168 20 30 CGEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2Cl)CC[N@@H+]1C ZINC000335677964 212398337 /nfs/dbraw/zinc/39/83/37/212398337.db2.gz WYHGDTJNFQOGTP-DOMZBBRYSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C#N)cc2Cl)CC[N@H+]1C ZINC000335677964 212398339 /nfs/dbraw/zinc/39/83/39/212398339.db2.gz WYHGDTJNFQOGTP-DOMZBBRYSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2Cl)CC[NH+]1C ZINC000335677964 212398341 /nfs/dbraw/zinc/39/83/41/212398341.db2.gz WYHGDTJNFQOGTP-DOMZBBRYSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2Cl)CC[NH+]1C ZINC000335677964 212398342 /nfs/dbraw/zinc/39/83/42/212398342.db2.gz WYHGDTJNFQOGTP-DOMZBBRYSA-N 2 2 291.826 3.126 20 30 CGEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(C#N)c(C)c1)CCC2 ZINC000331829266 204213163 /nfs/dbraw/zinc/21/31/63/204213163.db2.gz XKYBIWSXRDWKMK-KRWDZBQOSA-N 2 2 294.402 3.039 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(O)c2Cl)CC1 ZINC000293464110 372388175 /nfs/dbraw/zinc/38/81/75/372388175.db2.gz DIROJUPKPLRQDT-UHFFFAOYSA-N 2 2 294.826 3.176 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@H]2CC)CC1 ZINC000430715413 372392538 /nfs/dbraw/zinc/39/25/38/372392538.db2.gz AEDVHDARQMJYRU-BFYDXBDKSA-N 2 2 264.457 3.441 20 30 CGEDLP C[C@H]([NH2+]Cc1ccccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183102649 374371343 /nfs/dbraw/zinc/37/13/43/374371343.db2.gz YEHYCNOAPFMGHD-YJBOKZPZSA-N 2 2 297.446 3.301 20 30 CGEDLP C[C@H]([NH2+]Cc1ccccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102649 374371349 /nfs/dbraw/zinc/37/13/49/374371349.db2.gz YEHYCNOAPFMGHD-YJBOKZPZSA-N 2 2 297.446 3.301 20 30 CGEDLP C[C@@H]([NH2+]Cc1ccccc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183102875 374373833 /nfs/dbraw/zinc/37/38/33/374373833.db2.gz YEHYCNOAPFMGHD-QAPCUYQASA-N 2 2 297.446 3.301 20 30 CGEDLP C[C@@H]([NH2+]Cc1ccccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102875 374373841 /nfs/dbraw/zinc/37/38/41/374373841.db2.gz YEHYCNOAPFMGHD-QAPCUYQASA-N 2 2 297.446 3.301 20 30 CGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C#N)c2F)C[C@H]1C ZINC000340921711 377322022 /nfs/dbraw/zinc/32/20/22/377322022.db2.gz WLRRNBDZDMSZMP-CZUORRHYSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C#N)c2F)C[C@H]1C ZINC000340921711 377322028 /nfs/dbraw/zinc/32/20/28/377322028.db2.gz WLRRNBDZDMSZMP-CZUORRHYSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C#N)c2F)C[C@H]1C ZINC000340921711 377322033 /nfs/dbraw/zinc/32/20/33/377322033.db2.gz WLRRNBDZDMSZMP-CZUORRHYSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2F)C[C@H]1C ZINC000340921711 377322037 /nfs/dbraw/zinc/32/20/37/377322037.db2.gz WLRRNBDZDMSZMP-CZUORRHYSA-N 2 2 289.398 3.002 20 30 CGEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000248736669 377391068 /nfs/dbraw/zinc/39/10/68/377391068.db2.gz DQMCTKJMFKHNFA-KBAYOESNSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000248736669 377391079 /nfs/dbraw/zinc/39/10/79/377391079.db2.gz DQMCTKJMFKHNFA-KBAYOESNSA-N 2 2 285.435 3.179 20 30 CGEDLP C=C(C)C[NH+]1CCC(Nc2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000265318826 190174402 /nfs/dbraw/zinc/17/44/02/190174402.db2.gz DMBARXWIXUDKGM-UHFFFAOYSA-N 2 2 286.423 3.115 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000278715035 194118373 /nfs/dbraw/zinc/11/83/73/194118373.db2.gz LYCDFFFWPYMULM-QBIMZIAESA-N 2 2 283.419 3.224 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000278715035 194118375 /nfs/dbraw/zinc/11/83/75/194118375.db2.gz LYCDFFFWPYMULM-QBIMZIAESA-N 2 2 283.419 3.224 20 30 CGEDLP C=CC[C@@H](CC)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000281498432 379836540 /nfs/dbraw/zinc/83/65/40/379836540.db2.gz WNMHFXFKXRLLPZ-OAHLLOKOSA-N 2 2 255.365 3.317 20 30 CGEDLP C[C@@H](CC#N)[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411315944 380139146 /nfs/dbraw/zinc/13/91/46/380139146.db2.gz KCZASXOQHQOYTN-INIZCTEOSA-N 2 2 285.435 3.406 20 30 CGEDLP C[C@@H](CC#N)[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411315944 380139152 /nfs/dbraw/zinc/13/91/52/380139152.db2.gz KCZASXOQHQOYTN-INIZCTEOSA-N 2 2 285.435 3.406 20 30 CGEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000354204560 380362483 /nfs/dbraw/zinc/36/24/83/380362483.db2.gz FPJLZPRTKJRDSC-BBRMVZONSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000354204560 380362489 /nfs/dbraw/zinc/36/24/89/380362489.db2.gz FPJLZPRTKJRDSC-BBRMVZONSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000354204560 380362492 /nfs/dbraw/zinc/36/24/92/380362492.db2.gz FPJLZPRTKJRDSC-BBRMVZONSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000354204560 380362496 /nfs/dbraw/zinc/36/24/96/380362496.db2.gz FPJLZPRTKJRDSC-BBRMVZONSA-N 2 2 289.398 3.002 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC(C)C)c2ccncc2)CC1 ZINC000647288137 392639140 /nfs/dbraw/zinc/63/91/40/392639140.db2.gz NUTGQLSCOCFZNO-SFHVURJKSA-N 2 2 287.451 3.409 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCO[C@H](CC)C1)C(C)C ZINC000648417393 393007364 /nfs/dbraw/zinc/00/73/64/393007364.db2.gz DECMQSZKYYZCJU-RCCFBDPRSA-N 2 2 294.483 3.232 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000648445549 393020643 /nfs/dbraw/zinc/02/06/43/393020643.db2.gz WMUJVDPBBLQFLC-LJQANCHMSA-N 2 2 284.447 3.174 20 30 CGEDLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]CC(C)(C)CCC#N ZINC000344217071 393040125 /nfs/dbraw/zinc/04/01/25/393040125.db2.gz JJFVSPNPKXQRGA-GASCZTMLSA-N 2 2 265.445 3.169 20 30 CGEDLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]CC(C)(C)CCC#N ZINC000344217071 393040130 /nfs/dbraw/zinc/04/01/30/393040130.db2.gz JJFVSPNPKXQRGA-GASCZTMLSA-N 2 2 265.445 3.169 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CCC)[C@H]2CC2(C)C)CC1 ZINC000417313698 393347562 /nfs/dbraw/zinc/34/75/62/393347562.db2.gz PZAKZBWINZVULI-HZPDHXFCSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678235332 543498389 /nfs/dbraw/zinc/49/83/89/543498389.db2.gz QZFQELUOJBJARH-KRWDZBQOSA-N 2 2 297.402 3.285 20 30 CGEDLP C=CCOc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678235332 543498390 /nfs/dbraw/zinc/49/83/90/543498390.db2.gz QZFQELUOJBJARH-KRWDZBQOSA-N 2 2 297.402 3.285 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000657872669 419399009 /nfs/dbraw/zinc/39/90/09/419399009.db2.gz OTAWCPJVADWVTB-LZWOXQAQSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000657872669 419399013 /nfs/dbraw/zinc/39/90/13/419399013.db2.gz OTAWCPJVADWVTB-LZWOXQAQSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000130515694 260396906 /nfs/dbraw/zinc/39/69/06/260396906.db2.gz WVDMKEFHXUXYCR-DOTOQJQBSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000130515694 260396908 /nfs/dbraw/zinc/39/69/08/260396908.db2.gz WVDMKEFHXUXYCR-DOTOQJQBSA-N 2 2 258.409 3.205 20 30 CGEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000287377788 263101830 /nfs/dbraw/zinc/10/18/30/263101830.db2.gz PFUDBZYFGSQXRU-NXWXRZEISA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000287377788 263101831 /nfs/dbraw/zinc/10/18/31/263101831.db2.gz PFUDBZYFGSQXRU-NXWXRZEISA-N 2 2 297.446 3.321 20 30 CGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)CC2 ZINC000527997683 270149327 /nfs/dbraw/zinc/14/93/27/270149327.db2.gz AGKFACBHNAFSQZ-IEBWSBKVSA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)CC2 ZINC000527997683 270149328 /nfs/dbraw/zinc/14/93/28/270149328.db2.gz AGKFACBHNAFSQZ-IEBWSBKVSA-N 2 2 295.430 3.152 20 30 CGEDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccc(C#N)cc1 ZINC000278319453 280189410 /nfs/dbraw/zinc/18/94/10/280189410.db2.gz UWKSQYISONPMHS-DLBZAZTESA-N 2 2 271.408 3.083 20 30 CGEDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccc(C#N)cc1 ZINC000278319453 280189413 /nfs/dbraw/zinc/18/94/13/280189413.db2.gz UWKSQYISONPMHS-DLBZAZTESA-N 2 2 271.408 3.083 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)C[C@H]2CC)CC1 ZINC000246872600 327442670 /nfs/dbraw/zinc/44/26/70/327442670.db2.gz STQBIJXCANKLEP-BFYDXBDKSA-N 2 2 264.457 3.441 20 30 CGEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424192642 330323849 /nfs/dbraw/zinc/32/38/49/330323849.db2.gz JKZJCILCUIJNQO-ONIAQPFYSA-N 2 2 283.419 3.104 20 30 CGEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424192642 330323850 /nfs/dbraw/zinc/32/38/50/330323850.db2.gz JKZJCILCUIJNQO-ONIAQPFYSA-N 2 2 283.419 3.104 20 30 CGEDLP C=C(C)CC[NH+]1CC[N@@H+](CCC(=C)C)CC(C)C1 ZINC000451895116 331046531 /nfs/dbraw/zinc/04/65/31/331046531.db2.gz XECMQKASFMOWCR-UHFFFAOYSA-N 2 2 250.430 3.173 20 30 CGEDLP C=C(C)CC[NH+]1CC[N@H+](CCC(=C)C)CC(C)C1 ZINC000451895116 331046532 /nfs/dbraw/zinc/04/65/32/331046532.db2.gz XECMQKASFMOWCR-UHFFFAOYSA-N 2 2 250.430 3.173 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000482633948 331841473 /nfs/dbraw/zinc/84/14/73/331841473.db2.gz YHUJIVVOUMHTNI-SCLBCKFNSA-N 2 2 288.410 3.299 20 30 CGEDLP C#CC[N@@H+](Cc1c[nH+]cn1C(C)C)C1CCCCC1 ZINC000491453426 332214428 /nfs/dbraw/zinc/21/44/28/332214428.db2.gz RDQPFTATKUDVJD-UHFFFAOYSA-N 2 2 259.397 3.232 20 30 CGEDLP C#CC[N@H+](Cc1c[nH+]cn1C(C)C)C1CCCCC1 ZINC000491453426 332214429 /nfs/dbraw/zinc/21/44/29/332214429.db2.gz RDQPFTATKUDVJD-UHFFFAOYSA-N 2 2 259.397 3.232 20 30 CGEDLP C#C[C@H](CC)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000491816373 332367173 /nfs/dbraw/zinc/36/71/73/332367173.db2.gz WHRCBQIUDRXWER-OAHLLOKOSA-N 2 2 290.838 3.306 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000248712537 334314341 /nfs/dbraw/zinc/31/43/41/334314341.db2.gz BLCPYSRJJVQVSI-KZNAEPCWSA-N 2 2 289.467 3.357 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000248712536 334314504 /nfs/dbraw/zinc/31/45/04/334314504.db2.gz BLCPYSRJJVQVSI-FGTMMUONSA-N 2 2 289.467 3.357 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2sccc2OC)CC1 ZINC000186156362 333155724 /nfs/dbraw/zinc/15/57/24/333155724.db2.gz NXPBKHXNSMLXHA-ZDUSSCGKSA-N 2 2 294.464 3.448 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OCC(C)C)C2(C)C)CC1 ZINC000181716478 335780386 /nfs/dbraw/zinc/78/03/86/335780386.db2.gz FQLBYFNNEBNOLX-DLBZAZTESA-N 2 2 294.483 3.066 20 30 CGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1Cl ZINC000347056565 526871096 /nfs/dbraw/zinc/87/10/96/526871096.db2.gz VLLJMVCDRSYKQP-SWLSCSKDSA-N 2 2 294.826 3.074 20 30 CGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1Cl ZINC000347056565 526871102 /nfs/dbraw/zinc/87/11/02/526871102.db2.gz VLLJMVCDRSYKQP-SWLSCSKDSA-N 2 2 294.826 3.074 20 30 CGEDLP CC(C)[NH+]1CCC([N@H+](C)Cc2cc(C#N)ccc2F)CC1 ZINC000263723729 535152828 /nfs/dbraw/zinc/15/28/28/535152828.db2.gz OXTVXDBGKIONHN-UHFFFAOYSA-N 2 2 289.398 3.002 20 30 CGEDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(C#N)ccc2F)CC1 ZINC000263723729 535152834 /nfs/dbraw/zinc/15/28/34/535152834.db2.gz OXTVXDBGKIONHN-UHFFFAOYSA-N 2 2 289.398 3.002 20 30 CGEDLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1csc(C#N)c1 ZINC000895507843 619838727 /nfs/dbraw/zinc/83/87/27/619838727.db2.gz ABQZZHJAZZSQEC-XJKSGUPXSA-N 2 2 291.464 3.172 20 30 CGEDLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1csc(C#N)c1 ZINC000895507843 619838730 /nfs/dbraw/zinc/83/87/30/619838730.db2.gz ABQZZHJAZZSQEC-XJKSGUPXSA-N 2 2 291.464 3.172 20 30 CGEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1csc(C#N)c1 ZINC000921576214 625688942 /nfs/dbraw/zinc/68/89/42/625688942.db2.gz DQWBHURWYQYUKF-CQSZACIVSA-N 2 2 288.420 3.021 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc3ccccc3[nH]2)CC1 ZINC000775629258 628116237 /nfs/dbraw/zinc/11/62/37/628116237.db2.gz VDIFSTLCVKLBMU-CQSZACIVSA-N 2 2 283.419 3.469 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1cccc(Cl)c1F ZINC000815652749 631814305 /nfs/dbraw/zinc/81/43/05/631814305.db2.gz QJTGBFWZONORGQ-HNNXBMFYSA-N 2 2 296.817 3.475 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1cccc(Cl)c1F ZINC000815652749 631814307 /nfs/dbraw/zinc/81/43/07/631814307.db2.gz QJTGBFWZONORGQ-HNNXBMFYSA-N 2 2 296.817 3.475 20 30 CGEDLP CCOc1ccc(/C=[NH+]\C2CCC([NH+](C)C)CC2)c(O)c1 ZINC000817708212 632202278 /nfs/dbraw/zinc/20/22/78/632202278.db2.gz VMLKPEJBMSYMDP-PDGQHHTCSA-N 2 2 290.407 3.083 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000820846081 632687094 /nfs/dbraw/zinc/68/70/94/632687094.db2.gz CGKRBXQOCWXLMP-UHFFFAOYSA-N 2 2 298.386 3.117 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000820846081 632687096 /nfs/dbraw/zinc/68/70/96/632687096.db2.gz CGKRBXQOCWXLMP-UHFFFAOYSA-N 2 2 298.386 3.117 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccccn2)C(C)C)CC1 ZINC000866260727 633049350 /nfs/dbraw/zinc/04/93/50/633049350.db2.gz JRLVEYPAGWWTMC-QGZVFWFLSA-N 2 2 273.424 3.019 20 30 CGEDLP CCOc1cccc(/C=[NH+]/CCCC[N@H+](C)C2CC2)c1O ZINC000840708390 635038166 /nfs/dbraw/zinc/03/81/66/635038166.db2.gz ANHBLNVYVKXYMY-QGOAFFKASA-N 2 2 290.407 3.084 20 30 CGEDLP CCOc1cccc(/C=[NH+]/CCCC[N@@H+](C)C2CC2)c1O ZINC000840708390 635038169 /nfs/dbraw/zinc/03/81/69/635038169.db2.gz ANHBLNVYVKXYMY-QGOAFFKASA-N 2 2 290.407 3.084 20 30 CGEDLP N#C[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000932155125 639277553 /nfs/dbraw/zinc/27/75/53/639277553.db2.gz WWOQXWQAVJOHDT-LJQANCHMSA-N 2 2 297.446 3.408 20 30 CGEDLP N#C[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000932155125 639277557 /nfs/dbraw/zinc/27/75/57/639277557.db2.gz WWOQXWQAVJOHDT-LJQANCHMSA-N 2 2 297.446 3.408 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC001252120495 806007613 /nfs/dbraw/zinc/00/76/13/806007613.db2.gz XJPHOQNIHUZWAD-IRXDYDNUSA-N 2 2 284.488 3.172 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC001252120495 806007622 /nfs/dbraw/zinc/00/76/22/806007622.db2.gz XJPHOQNIHUZWAD-IRXDYDNUSA-N 2 2 284.488 3.172 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@H+](CC)CCn1cc[nH+]c1 ZINC001252132164 806016903 /nfs/dbraw/zinc/01/69/03/806016903.db2.gz AONKUZNLZJQNGF-KRWDZBQOSA-N 2 2 295.471 3.317 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001252132164 806016912 /nfs/dbraw/zinc/01/69/12/806016912.db2.gz AONKUZNLZJQNGF-KRWDZBQOSA-N 2 2 295.471 3.317 20 30 CGEDLP C[C@@H](CC#N)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255130743 806550788 /nfs/dbraw/zinc/55/07/88/806550788.db2.gz JGWRNQLSAGKZGU-LEUOFYLZSA-N 2 2 283.419 3.074 20 30 CGEDLP C[C@@H](CC#N)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130743 806550791 /nfs/dbraw/zinc/55/07/91/806550791.db2.gz JGWRNQLSAGKZGU-LEUOFYLZSA-N 2 2 283.419 3.074 20 30 CGEDLP CCCCCCCCCCCC[N@@H+]1CC[NH2+]C[C@@H](O)C1 ZINC000312418743 799227826 /nfs/dbraw/zinc/22/78/26/799227826.db2.gz KDJHFEQTFBYBMR-QGZVFWFLSA-N 2 2 284.488 3.173 20 30 CGEDLP CCCCCCCCCCCC[N@H+]1CC[NH2+]C[C@@H](O)C1 ZINC000312418743 799227829 /nfs/dbraw/zinc/22/78/29/799227829.db2.gz KDJHFEQTFBYBMR-QGZVFWFLSA-N 2 2 284.488 3.173 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398038981 799525767 /nfs/dbraw/zinc/52/57/67/799525767.db2.gz RAUIRGBXMFZUHX-NXHRZFHOSA-N 2 2 285.435 3.179 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398038981 799525770 /nfs/dbraw/zinc/52/57/70/799525770.db2.gz RAUIRGBXMFZUHX-NXHRZFHOSA-N 2 2 285.435 3.179 20 30 CGEDLP CCCCCCCC[C@@H](CC)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246551164 804401306 /nfs/dbraw/zinc/40/13/06/804401306.db2.gz PFOCOLVSGVLFMD-IAGOWNOFSA-N 2 2 284.488 3.436 20 30 CGEDLP CCCCCCCC[C@@H](CC)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246551164 804401309 /nfs/dbraw/zinc/40/13/09/804401309.db2.gz PFOCOLVSGVLFMD-IAGOWNOFSA-N 2 2 284.488 3.436 20 30 CGEDLP N#CC1CCC([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001256964247 807019309 /nfs/dbraw/zinc/01/93/09/807019309.db2.gz SSXALCQZWBSQNB-UHFFFAOYSA-N 2 2 285.391 3.007 20 30 CGEDLP C=CCC[C@H](C)[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246980027 804627919 /nfs/dbraw/zinc/62/79/19/804627919.db2.gz QDKZLHBPACJRRW-GOEBONIOSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@H](C)[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246980027 804627922 /nfs/dbraw/zinc/62/79/22/804627922.db2.gz QDKZLHBPACJRRW-GOEBONIOSA-N 2 2 250.430 3.338 20 30 CGEDLP CCc1cc(C#N)ccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC001248743458 804980970 /nfs/dbraw/zinc/98/09/70/804980970.db2.gz WNCDEKBCPZIVGE-UHFFFAOYSA-N 2 2 297.446 3.181 20 30 CGEDLP C#Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001144581550 805011844 /nfs/dbraw/zinc/01/18/44/805011844.db2.gz WJLUWADTXHHINF-GOSISDBHSA-N 2 2 292.382 3.025 20 30 CGEDLP C#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001144581550 805011849 /nfs/dbraw/zinc/01/18/49/805011849.db2.gz WJLUWADTXHHINF-GOSISDBHSA-N 2 2 292.382 3.025 20 30 CGEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001171189411 808004309 /nfs/dbraw/zinc/00/43/09/808004309.db2.gz FTSXQEXRCTXXMJ-IRXDYDNUSA-N 2 2 299.462 3.199 20 30 CGEDLP C[C@@H](CCCC#N)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001172478936 808343087 /nfs/dbraw/zinc/34/30/87/808343087.db2.gz IXQKWTJLRHJKOS-FUHWJXTLSA-N 2 2 285.435 3.495 20 30 CGEDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C#Cc2ccccc2)cc1 ZINC001205182983 812900888 /nfs/dbraw/zinc/90/08/88/812900888.db2.gz USMJBBDFFWCISC-OXQOHEQNSA-N 2 2 290.410 3.008 20 30 CGEDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(C#Cc2ccccc2)cc1 ZINC001205182983 812900890 /nfs/dbraw/zinc/90/08/90/812900890.db2.gz USMJBBDFFWCISC-OXQOHEQNSA-N 2 2 290.410 3.008 20 30 CGEDLP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c(C#N)c1 ZINC001242593090 823050386 /nfs/dbraw/zinc/05/03/86/823050386.db2.gz HXQNJNQNVBHHOL-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c(C#N)c1 ZINC001242593090 823050391 /nfs/dbraw/zinc/05/03/91/823050391.db2.gz HXQNJNQNVBHHOL-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP C#Cc1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001231656150 818150902 /nfs/dbraw/zinc/15/09/02/818150902.db2.gz FSYAKVODINQXHU-UHFFFAOYSA-N 2 2 292.382 3.106 20 30 CGEDLP CCCCCCCC[N@H+](C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235664375 819131724 /nfs/dbraw/zinc/13/17/24/819131724.db2.gz SEQGVLCFPBTEET-AWEZNQCLSA-N 2 2 256.434 3.003 20 30 CGEDLP CCCCCCCC[N@@H+](C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235664375 819131725 /nfs/dbraw/zinc/13/17/25/819131725.db2.gz SEQGVLCFPBTEET-AWEZNQCLSA-N 2 2 256.434 3.003 20 30 CGEDLP C=C(C)COc1ccccc1C[NH+]1CCC([NH2+]CC)CC1 ZINC001235727438 819154852 /nfs/dbraw/zinc/15/48/52/819154852.db2.gz XHWSQPRRKLUICR-UHFFFAOYSA-N 2 2 288.435 3.215 20 30 CGEDLP C#CC[N@@H+](CC#CC)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001459583704 937492747 /nfs/dbraw/zinc/49/27/47/937492747.db2.gz WALOIGCIRLSNFN-UHFFFAOYSA-N 2 2 294.442 3.131 20 30 CGEDLP C#CC[N@H+](CC#CC)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001459583704 937492748 /nfs/dbraw/zinc/49/27/48/937492748.db2.gz WALOIGCIRLSNFN-UHFFFAOYSA-N 2 2 294.442 3.131 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001461045484 937561764 /nfs/dbraw/zinc/56/17/64/937561764.db2.gz PXKSPROCIGCKKJ-XHSDSOJGSA-N 2 2 250.430 3.053 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001461045484 937561766 /nfs/dbraw/zinc/56/17/66/937561766.db2.gz PXKSPROCIGCKKJ-XHSDSOJGSA-N 2 2 250.430 3.053 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001473924938 937830413 /nfs/dbraw/zinc/83/04/13/937830413.db2.gz QLJKZTHRCVTPSM-BZUAXINKSA-N 2 2 252.446 3.297 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC)CC1 ZINC001560313796 938252533 /nfs/dbraw/zinc/25/25/33/938252533.db2.gz UBBXGONHLSNYRG-UHFFFAOYSA-N 2 2 294.826 3.089 20 30 CGEDLP C=CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000651681502 398268504 /nfs/dbraw/zinc/26/85/04/398268504.db2.gz QSUOEFDKOIVPSH-WMZOPIPTSA-N 2 2 299.462 3.380 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000651797314 398289995 /nfs/dbraw/zinc/28/99/95/398289995.db2.gz JYBXLHLWHMHCCF-KGLIPLIRSA-N 2 2 259.397 3.054 20 30 CGEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC(F)F)CC2)C1 ZINC000623089814 349758920 /nfs/dbraw/zinc/75/89/20/349758920.db2.gz ZURYFGIJMDKAGQ-DZGCQCFKSA-N 2 2 286.410 3.298 20 30 CGEDLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000423507789 529616925 /nfs/dbraw/zinc/61/69/25/529616925.db2.gz QLKFCCYRMAWRQK-IFXJQAMLSA-N 2 2 293.414 3.471 20 30 CGEDLP C=CCCC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000081557236 260183051 /nfs/dbraw/zinc/18/30/51/260183051.db2.gz YXZGOQGNBZAMOU-KRWDZBQOSA-N 2 2 258.409 3.207 20 30 CGEDLP C=CCCC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000081557236 260183052 /nfs/dbraw/zinc/18/30/52/260183052.db2.gz YXZGOQGNBZAMOU-KRWDZBQOSA-N 2 2 258.409 3.207 20 30 CGEDLP N#CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000297289599 346434889 /nfs/dbraw/zinc/43/48/89/346434889.db2.gz AIEVAAOEJQDALO-GOSISDBHSA-N 2 2 283.419 3.248 20 30 CGEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000595094103 347282110 /nfs/dbraw/zinc/28/21/10/347282110.db2.gz CMEJBWRLTQJXRJ-PKOBYXMFSA-N 2 2 297.446 3.400 20 30 CGEDLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000595094103 347282113 /nfs/dbraw/zinc/28/21/13/347282113.db2.gz CMEJBWRLTQJXRJ-PKOBYXMFSA-N 2 2 297.446 3.400 20 30 CGEDLP C=CCCSCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000597184642 347546663 /nfs/dbraw/zinc/54/66/63/347546663.db2.gz MYUNFVXPJQHERE-UHFFFAOYSA-N 2 2 264.438 3.222 20 30 CGEDLP CC(C)(CCC#N)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000598992018 347704215 /nfs/dbraw/zinc/70/42/15/347704215.db2.gz JFCGWORZTDVJHX-INIZCTEOSA-N 2 2 277.456 3.313 20 30 CGEDLP CC(C)(CCC#N)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000598992018 347704219 /nfs/dbraw/zinc/70/42/19/347704219.db2.gz JFCGWORZTDVJHX-INIZCTEOSA-N 2 2 277.456 3.313 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000602506483 347972359 /nfs/dbraw/zinc/97/23/59/347972359.db2.gz XVNCKOQRVPCECF-AEFFLSMTSA-N 2 2 285.435 3.353 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000602568275 347984463 /nfs/dbraw/zinc/98/44/63/347984463.db2.gz IPSSBONOZCAYMA-NUJGCVRESA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000602568275 347984465 /nfs/dbraw/zinc/98/44/65/347984465.db2.gz IPSSBONOZCAYMA-NUJGCVRESA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H](C[NH2+]C1CCC(C#N)CC1)[N@H+](C)Cc1ccccc1 ZINC000602551996 347980833 /nfs/dbraw/zinc/98/08/33/347980833.db2.gz QJESMACMPGOMGD-KLHKWILBSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H](C[NH2+]C1CCC(C#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC000602551996 347980834 /nfs/dbraw/zinc/98/08/34/347980834.db2.gz QJESMACMPGOMGD-KLHKWILBSA-N 2 2 285.435 3.179 20 30 CGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000609493530 348345153 /nfs/dbraw/zinc/34/51/53/348345153.db2.gz DLXQNJPOMJPXTD-UHFFFAOYSA-N 2 2 283.419 3.055 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611392422 348445139 /nfs/dbraw/zinc/44/51/39/348445139.db2.gz VGEPOLCZYUYRFK-IBGZPJMESA-N 2 2 295.430 3.176 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2csc(C)c2C)CC1 ZINC000631064120 350941130 /nfs/dbraw/zinc/94/11/30/350941130.db2.gz ISMVYIBBUUMCAH-UHFFFAOYSA-N 2 2 264.438 3.105 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC)cc2)CC1 ZINC000177913614 189079125 /nfs/dbraw/zinc/07/91/25/189079125.db2.gz GBKHVFCIJHYGEE-OAHLLOKOSA-N 2 2 288.435 3.386 20 30 CGEDLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353279055 220005349 /nfs/dbraw/zinc/00/53/49/220005349.db2.gz XXCKFVFKDNHUOS-GOSISDBHSA-N 2 2 277.371 3.081 20 30 CGEDLP C[C@@H](CC#N)[NH+](C)Cc1ccccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000161736780 372349605 /nfs/dbraw/zinc/34/96/05/372349605.db2.gz XHWZMLSGHISIRC-HOTGVXAUSA-N 2 2 298.434 3.155 20 30 CGEDLP C[C@@H](CC#N)[NH+](C)Cc1ccccc1C[N@H+](C)[C@@H](C)CC#N ZINC000161736780 372349609 /nfs/dbraw/zinc/34/96/09/372349609.db2.gz XHWZMLSGHISIRC-HOTGVXAUSA-N 2 2 298.434 3.155 20 30 CGEDLP N#CCCC[C@H]([NH2+]CC[NH+]1CCCCC1)c1ccccc1 ZINC000433021686 372578792 /nfs/dbraw/zinc/57/87/92/372578792.db2.gz HDIRNTBILAVOBL-SFHVURJKSA-N 2 2 285.435 3.497 20 30 CGEDLP CC(C)(C[NH2+][C@H]1CC[C@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000442782561 373079747 /nfs/dbraw/zinc/07/97/47/373079747.db2.gz OKPIEGSVYODETO-YJBOKZPZSA-N 2 2 297.446 3.105 20 30 CGEDLP CC(C)(C[NH2+][C@H]1CC[C@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000442782561 373079757 /nfs/dbraw/zinc/07/97/57/373079757.db2.gz OKPIEGSVYODETO-YJBOKZPZSA-N 2 2 297.446 3.105 20 30 CGEDLP N#Cc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)s1 ZINC000176954694 373643796 /nfs/dbraw/zinc/64/37/96/373643796.db2.gz RCYNHBDGXSEXHK-UHFFFAOYSA-N 2 2 294.383 3.095 20 30 CGEDLP C[C@@H]1C[C@H]([NH+](C)CC#Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000177292363 373673257 /nfs/dbraw/zinc/67/32/57/373673257.db2.gz AOQGPYSYAQZNTA-RHSMWYFYSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@@H]1C[C@H]([NH+](C)CC#Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000177292363 373673259 /nfs/dbraw/zinc/67/32/59/373673259.db2.gz AOQGPYSYAQZNTA-RHSMWYFYSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@@H]1C[C@H]([N@H+](C)CC#Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000177292363 373673265 /nfs/dbraw/zinc/67/32/65/373673265.db2.gz AOQGPYSYAQZNTA-RHSMWYFYSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@@H]1C[C@H]([N@@H+](C)CC#Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000177292363 373673269 /nfs/dbraw/zinc/67/32/69/373673269.db2.gz AOQGPYSYAQZNTA-RHSMWYFYSA-N 2 2 290.838 3.106 20 30 CGEDLP C=CC[N@H+](CCCn1cc[nH+]c1)Cc1cccs1 ZINC000182663382 374308644 /nfs/dbraw/zinc/30/86/44/374308644.db2.gz NSLTZJSIRMIFFN-UHFFFAOYSA-N 2 2 261.394 3.023 20 30 CGEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)Cc1cccs1 ZINC000182663382 374308654 /nfs/dbraw/zinc/30/86/54/374308654.db2.gz NSLTZJSIRMIFFN-UHFFFAOYSA-N 2 2 261.394 3.023 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnc(C)s2)CC1 ZINC000090408623 541961021 /nfs/dbraw/zinc/96/10/21/541961021.db2.gz QIBSKZTUQLQKOO-LBPRGKRZSA-N 2 2 279.453 3.143 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000187713934 375078900 /nfs/dbraw/zinc/07/89/00/375078900.db2.gz BQEDSNOAPAZISC-VKJFTORMSA-N 2 2 294.402 3.399 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000187713934 375078908 /nfs/dbraw/zinc/07/89/08/375078908.db2.gz BQEDSNOAPAZISC-VKJFTORMSA-N 2 2 294.402 3.399 20 30 CGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H](C)C1CC1)C(C)C ZINC000480754905 375160617 /nfs/dbraw/zinc/16/06/17/375160617.db2.gz FIXRINDCBAFESP-HOCLYGCPSA-N 2 2 250.430 3.073 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](CCC#N)CC1CC1 ZINC000192054581 375694395 /nfs/dbraw/zinc/69/43/95/375694395.db2.gz JPKKMUJJLQAXDL-UHFFFAOYSA-N 2 2 294.402 3.306 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](CCC#N)CC1CC1 ZINC000192054581 375694404 /nfs/dbraw/zinc/69/44/04/375694404.db2.gz JPKKMUJJLQAXDL-UHFFFAOYSA-N 2 2 294.402 3.306 20 30 CGEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000336858417 376014725 /nfs/dbraw/zinc/01/47/25/376014725.db2.gz YUNUIJSBIRATQL-GUDVDZBRSA-N 2 2 297.446 3.242 20 30 CGEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000336858417 376014731 /nfs/dbraw/zinc/01/47/31/376014731.db2.gz YUNUIJSBIRATQL-GUDVDZBRSA-N 2 2 297.446 3.242 20 30 CGEDLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000336858417 376014742 /nfs/dbraw/zinc/01/47/42/376014742.db2.gz YUNUIJSBIRATQL-GUDVDZBRSA-N 2 2 297.446 3.242 20 30 CGEDLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000336858417 376014750 /nfs/dbraw/zinc/01/47/50/376014750.db2.gz YUNUIJSBIRATQL-GUDVDZBRSA-N 2 2 297.446 3.242 20 30 CGEDLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000338292685 376320204 /nfs/dbraw/zinc/32/02/04/376320204.db2.gz UZPUGIXRAKMIQX-ZDUSSCGKSA-N 2 2 277.387 3.080 20 30 CGEDLP C#CCCCC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000246124859 376972457 /nfs/dbraw/zinc/97/24/57/376972457.db2.gz SYPHUBKNZSAGOX-SJLPKXTDSA-N 2 2 270.420 3.215 20 30 CGEDLP C#CCCCC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000246124859 376972463 /nfs/dbraw/zinc/97/24/63/376972463.db2.gz SYPHUBKNZSAGOX-SJLPKXTDSA-N 2 2 270.420 3.215 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000248800118 377402704 /nfs/dbraw/zinc/40/27/04/377402704.db2.gz JOVBJMINIJTDKI-NZSAHSFTSA-N 2 2 297.446 3.495 20 30 CGEDLP C=CCC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000375517798 379499947 /nfs/dbraw/zinc/49/99/47/379499947.db2.gz ALEFRLNCBHELQB-QGZVFWFLSA-N 2 2 285.435 3.385 20 30 CGEDLP C=CC[N@H+](Cc1c(C)cc(C)[nH+]c1C)[C@H](C)COC ZINC000639784857 379583527 /nfs/dbraw/zinc/58/35/27/379583527.db2.gz PGXRFSDOGHGKOF-CQSZACIVSA-N 2 2 262.397 3.030 20 30 CGEDLP C=CC[N@@H+](Cc1c(C)cc(C)[nH+]c1C)[C@H](C)COC ZINC000639784857 379583534 /nfs/dbraw/zinc/58/35/34/379583534.db2.gz PGXRFSDOGHGKOF-CQSZACIVSA-N 2 2 262.397 3.030 20 30 CGEDLP Clc1ccc(C#CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000365884013 382298165 /nfs/dbraw/zinc/29/81/65/382298165.db2.gz HBYTXKJXZUYVIT-HNNXBMFYSA-N 2 2 299.805 3.294 20 30 CGEDLP Clc1ccc(C#CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000365884013 382298170 /nfs/dbraw/zinc/29/81/70/382298170.db2.gz HBYTXKJXZUYVIT-HNNXBMFYSA-N 2 2 299.805 3.294 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CCC)[C@@H]2CC2(C)C)CC1 ZINC000417313699 393347452 /nfs/dbraw/zinc/34/74/52/393347452.db2.gz PZAKZBWINZVULI-JKSUJKDBSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448028009 393867881 /nfs/dbraw/zinc/86/78/81/393867881.db2.gz ODGDXWOLCNNGCR-RRFJBIMHSA-N 2 2 252.446 3.297 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448028009 393867882 /nfs/dbraw/zinc/86/78/82/393867882.db2.gz ODGDXWOLCNNGCR-RRFJBIMHSA-N 2 2 252.446 3.297 20 30 CGEDLP C=CCOc1ccccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000562843140 397712906 /nfs/dbraw/zinc/71/29/06/397712906.db2.gz MKWQXYBEWRNXEK-UHFFFAOYSA-N 2 2 297.402 3.074 20 30 CGEDLP N#Cc1ccc(C[NH2+]Cc2cccc3[nH+]ccn32)cc1Cl ZINC000619748345 418934023 /nfs/dbraw/zinc/93/40/23/418934023.db2.gz IUROXDFQWFZIBH-UHFFFAOYSA-N 2 2 296.761 3.149 20 30 CGEDLP C=CCC1([NH2+]Cc2c[nH+]c3n2CCC3)CCCCC1 ZINC000657483530 419289826 /nfs/dbraw/zinc/28/98/26/419289826.db2.gz LKEADSZMQIWIOP-UHFFFAOYSA-N 2 2 259.397 3.198 20 30 CGEDLP C=CCC[C@H](C)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000130526622 260397953 /nfs/dbraw/zinc/39/79/53/260397953.db2.gz BKVXQLYAIVQOGZ-ZDUSSCGKSA-N 2 2 257.381 3.289 20 30 CGEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000365630751 262376726 /nfs/dbraw/zinc/37/67/26/262376726.db2.gz PKOPXBNUQRCWCT-HNNXBMFYSA-N 2 2 288.439 3.320 20 30 CGEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000365630751 262376727 /nfs/dbraw/zinc/37/67/27/262376727.db2.gz PKOPXBNUQRCWCT-HNNXBMFYSA-N 2 2 288.439 3.320 20 30 CGEDLP C=CCOc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1Cl ZINC000415072050 263262537 /nfs/dbraw/zinc/26/25/37/263262537.db2.gz VFANCDWTETVQEO-AWEZNQCLSA-N 2 2 294.826 3.137 20 30 CGEDLP C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000341096758 263321625 /nfs/dbraw/zinc/32/16/25/263321625.db2.gz AASAQHPTLNIANJ-HZPDHXFCSA-N 2 2 275.440 3.419 20 30 CGEDLP C=CCCC[C@@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000341096758 263321626 /nfs/dbraw/zinc/32/16/26/263321626.db2.gz AASAQHPTLNIANJ-HZPDHXFCSA-N 2 2 275.440 3.419 20 30 CGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCC3CC3)CC2)cc1 ZINC000538409338 288571464 /nfs/dbraw/zinc/57/14/64/288571464.db2.gz MBBSZIZUGRBWTJ-UHFFFAOYSA-N 2 2 297.446 3.302 20 30 CGEDLP C=CCC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccccc1 ZINC000414362411 328155385 /nfs/dbraw/zinc/15/53/85/328155385.db2.gz SGGDPVWWEIULKB-KRWDZBQOSA-N 2 2 298.434 3.283 20 30 CGEDLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449136039 327059856 /nfs/dbraw/zinc/05/98/56/327059856.db2.gz TWQPKAJNUGOGFU-NUWOQIAWSA-N 2 2 277.456 3.311 20 30 CGEDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000423234696 330180978 /nfs/dbraw/zinc/18/09/78/330180978.db2.gz FUBDKNHYYZUCHV-JCGIZDLHSA-N 2 2 285.435 3.482 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000423439984 330201600 /nfs/dbraw/zinc/20/16/00/330201600.db2.gz VQRFSTCMHCTJGC-ZWKOTPCHSA-N 2 2 270.420 3.208 20 30 CGEDLP C=CCC[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)C1CC1 ZINC000120172259 330386101 /nfs/dbraw/zinc/38/61/01/330386101.db2.gz XUIHSTDZVDZPQD-MRXNPFEDSA-N 2 2 250.430 3.053 20 30 CGEDLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[NH+]2CCCC2)cc1 ZINC000442789955 330783665 /nfs/dbraw/zinc/78/36/65/330783665.db2.gz FOCMBUJUPFEOLQ-UHOSZYNNSA-N 2 2 297.446 3.414 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)C[N@H+](Cc2ccccc2)C1 ZINC000459684330 331294341 /nfs/dbraw/zinc/29/43/41/331294341.db2.gz CDJOORVUYJAQLJ-AEFFLSMTSA-N 2 2 299.462 3.426 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)C[N@@H+](Cc2ccccc2)C1 ZINC000459684330 331294342 /nfs/dbraw/zinc/29/43/42/331294342.db2.gz CDJOORVUYJAQLJ-AEFFLSMTSA-N 2 2 299.462 3.426 20 30 CGEDLP C=CCCCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000463275173 331344854 /nfs/dbraw/zinc/34/48/54/331344854.db2.gz JMFHKPJJYGRMHX-UHFFFAOYSA-N 2 2 278.362 3.349 20 30 CGEDLP C[C@@H](C#N)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000237515236 334090205 /nfs/dbraw/zinc/09/02/05/334090205.db2.gz OMXDCXKFCYCCOP-ZDUSSCGKSA-N 2 2 291.826 3.054 20 30 CGEDLP C=C(C)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000386932218 336182385 /nfs/dbraw/zinc/18/23/85/336182385.db2.gz UBMNKVVIZXZPGC-DOTOQJQBSA-N 2 2 258.409 3.205 20 30 CGEDLP C=C(C)CC[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000386932218 336182388 /nfs/dbraw/zinc/18/23/88/336182388.db2.gz UBMNKVVIZXZPGC-DOTOQJQBSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CCC[C@@H](C)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000186063293 518711042 /nfs/dbraw/zinc/71/10/42/518711042.db2.gz FOMHWDQRJSQANQ-CQSZACIVSA-N 2 2 271.408 3.450 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353270680 526454670 /nfs/dbraw/zinc/45/46/70/526454670.db2.gz BRMVPNFVKLXTLI-CYBMUJFWSA-N 2 2 286.410 3.440 20 30 CGEDLP CCCCCCCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000741807510 572531454 /nfs/dbraw/zinc/53/14/54/572531454.db2.gz AETTYBLRIZJERG-QGZVFWFLSA-N 2 2 282.472 3.001 20 30 CGEDLP CCCCCCCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000741807510 572531457 /nfs/dbraw/zinc/53/14/57/572531457.db2.gz AETTYBLRIZJERG-QGZVFWFLSA-N 2 2 282.472 3.001 20 30 CGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925785628 619247761 /nfs/dbraw/zinc/24/77/61/619247761.db2.gz LROUDQDQZZZOIW-PVXIVEMSSA-N 2 2 294.826 3.076 20 30 CGEDLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1cccc(C#N)c1 ZINC000902825355 621456939 /nfs/dbraw/zinc/45/69/39/621456939.db2.gz LWRWDASRKYCHMA-PBHICJAKSA-N 2 2 271.408 3.083 20 30 CGEDLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1cccc(C#N)c1 ZINC000902825355 621456940 /nfs/dbraw/zinc/45/69/40/621456940.db2.gz LWRWDASRKYCHMA-PBHICJAKSA-N 2 2 271.408 3.083 20 30 CGEDLP CCC(=[NH+]Nc1cc[nH+]c(C)c1)c1ccc(N(C)C)cc1 ZINC000863159546 629486103 /nfs/dbraw/zinc/48/61/03/629486103.db2.gz WBESORJPCJQEKA-UHFFFAOYSA-N 2 2 282.391 3.104 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816547269 632007268 /nfs/dbraw/zinc/00/72/68/632007268.db2.gz QINUIYZVXQLQGV-UHFFFAOYSA-N 2 2 296.414 3.285 20 30 CGEDLP CCC1([NH+]2CCCCC2)CC[NH+](CCCC#N)CC1 ZINC000880255042 635958012 /nfs/dbraw/zinc/95/80/12/635958012.db2.gz YBPREBIXIIKWRY-UHFFFAOYSA-N 2 2 263.429 3.021 20 30 CGEDLP C=C(CC)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569236 636022593 /nfs/dbraw/zinc/02/25/93/636022593.db2.gz IMQRMGLIEZRTKK-MRXNPFEDSA-N 2 2 255.365 3.180 20 30 CGEDLP C=CCC[C@H](Cc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000883165202 636561552 /nfs/dbraw/zinc/56/15/52/636561552.db2.gz YOCMNIIYJUBISN-GOSISDBHSA-N 2 2 283.419 3.440 20 30 CGEDLP C#CC[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000886363735 637514315 /nfs/dbraw/zinc/51/43/15/637514315.db2.gz AIUYIUBKNNRRHE-INIZCTEOSA-N 2 2 279.387 3.026 20 30 CGEDLP C#CC[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000886363735 637514319 /nfs/dbraw/zinc/51/43/19/637514319.db2.gz AIUYIUBKNNRRHE-INIZCTEOSA-N 2 2 279.387 3.026 20 30 CGEDLP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000929803840 638952898 /nfs/dbraw/zinc/95/28/98/638952898.db2.gz ONOKWPZQMRYYQC-UHFFFAOYSA-N 2 2 294.402 3.209 20 30 CGEDLP Cc1[nH+]c(N)ccc1CNc1[nH+]ccc2ccc(C#N)cc21 ZINC001156974651 805760504 /nfs/dbraw/zinc/76/05/04/805760504.db2.gz QANYEMCWTCVFSD-UHFFFAOYSA-N 2 2 289.342 3.004 20 30 CGEDLP C[NH+]1CCC([N@H+](C2CCCC2)[C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254680768 806484454 /nfs/dbraw/zinc/48/44/54/806484454.db2.gz ZWAJHBMKMAGIMB-WMLDXEAASA-N 2 2 275.440 3.017 20 30 CGEDLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254680768 806484457 /nfs/dbraw/zinc/48/44/57/806484457.db2.gz ZWAJHBMKMAGIMB-WMLDXEAASA-N 2 2 275.440 3.017 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000328073533 799249902 /nfs/dbraw/zinc/24/99/02/799249902.db2.gz FDEBYUDMGQBJGO-UHFFFAOYSA-N 2 2 292.426 3.321 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000328073533 799249904 /nfs/dbraw/zinc/24/99/04/799249904.db2.gz FDEBYUDMGQBJGO-UHFFFAOYSA-N 2 2 292.426 3.321 20 30 CGEDLP N#CC[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256610848 806925348 /nfs/dbraw/zinc/92/53/48/806925348.db2.gz IYZRBGHCDCDERJ-SFHVURJKSA-N 2 2 297.446 3.277 20 30 CGEDLP N#CC[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256610848 806925352 /nfs/dbraw/zinc/92/53/52/806925352.db2.gz IYZRBGHCDCDERJ-SFHVURJKSA-N 2 2 297.446 3.277 20 30 CGEDLP C=CCC(CC=C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001116255822 802318624 /nfs/dbraw/zinc/31/86/24/802318624.db2.gz MBURTUDSDUUZFS-UHFFFAOYSA-N 2 2 296.374 3.283 20 30 CGEDLP CCCCCCCC[C@@H](O)C[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001245976480 804092314 /nfs/dbraw/zinc/09/23/14/804092314.db2.gz TZCWERYOHJVHQH-QZTJIDSGSA-N 2 2 292.467 3.388 20 30 CGEDLP CCCCCCCC[C@H](CCC)[NH2+][C@@H]1C[NH2+]CC[C@H]1O ZINC001246088503 804121081 /nfs/dbraw/zinc/12/10/81/804121081.db2.gz VCBQUARPBRQOHC-GVDBMIGSSA-N 2 2 284.488 3.218 20 30 CGEDLP CCCCCCCCCC[C@@H](C)[N@@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001246940952 804611002 /nfs/dbraw/zinc/61/10/02/804611002.db2.gz XCXSRMSRNMKGRK-IXDOHACOSA-N 2 2 284.488 3.300 20 30 CGEDLP CCCCCCCCCC[C@@H](C)[N@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001246940952 804611005 /nfs/dbraw/zinc/61/10/05/804611005.db2.gz XCXSRMSRNMKGRK-IXDOHACOSA-N 2 2 284.488 3.300 20 30 CGEDLP C=C1C[C@@H]2CC([NH2+][C@H]3CC[N@@H+](CC(C)C)C3)C[C@H](C1)C2 ZINC001257890328 807241131 /nfs/dbraw/zinc/24/11/31/807241131.db2.gz JCWVRLAGNWQYNS-KTGAGVNESA-N 2 2 276.468 3.441 20 30 CGEDLP C=C1C[C@@H]2CC([NH2+][C@H]3CC[N@H+](CC(C)C)C3)C[C@H](C1)C2 ZINC001257890328 807241137 /nfs/dbraw/zinc/24/11/37/807241137.db2.gz JCWVRLAGNWQYNS-KTGAGVNESA-N 2 2 276.468 3.441 20 30 CGEDLP CCC#C[C@@H](C)[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC001196727417 811360617 /nfs/dbraw/zinc/36/06/17/811360617.db2.gz DHFUSOZFDPSIKT-MRXNPFEDSA-N 2 2 262.441 3.129 20 30 CGEDLP CCCCCCC[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001201762220 811962816 /nfs/dbraw/zinc/96/28/16/811962816.db2.gz BOAWQZZIDGJSHD-UHFFFAOYSA-N 2 2 264.457 3.375 20 30 CGEDLP CCCCCCC[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001201762220 811962821 /nfs/dbraw/zinc/96/28/21/811962821.db2.gz BOAWQZZIDGJSHD-UHFFFAOYSA-N 2 2 264.457 3.375 20 30 CGEDLP C=CCCCCCCCC[N@@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001236334467 819427517 /nfs/dbraw/zinc/42/75/17/819427517.db2.gz QEDSQWQFYOTBQF-KRWDZBQOSA-N 2 2 282.472 3.213 20 30 CGEDLP C=CCCCCCCCC[N@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001236334467 819427521 /nfs/dbraw/zinc/42/75/21/819427521.db2.gz QEDSQWQFYOTBQF-KRWDZBQOSA-N 2 2 282.472 3.213 20 30 CGEDLP C[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000337390985 214049633 /nfs/dbraw/zinc/04/96/33/214049633.db2.gz NONSGZNOXAPEFM-BEFAXECRSA-N 2 2 297.446 3.301 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000651716073 398274387 /nfs/dbraw/zinc/27/43/87/398274387.db2.gz KFXWJQOTFXTLBP-CVEARBPZSA-N 2 2 294.483 3.210 20 30 CGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000594520939 347189056 /nfs/dbraw/zinc/18/90/56/347189056.db2.gz RSHAHONSLUOAOL-QRVBRYPASA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+]3CCCC[C@@H]13)CC2 ZINC000594520939 347189057 /nfs/dbraw/zinc/18/90/57/347189057.db2.gz RSHAHONSLUOAOL-QRVBRYPASA-N 2 2 295.430 3.152 20 30 CGEDLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594940041 347236170 /nfs/dbraw/zinc/23/61/70/347236170.db2.gz YARVLQFOMCHTIL-UHFFFAOYSA-N 2 2 291.398 3.278 20 30 CGEDLP Cc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1C#N ZINC000599263616 347730090 /nfs/dbraw/zinc/73/00/90/347730090.db2.gz KCDJBHKSDXPCFQ-UHFFFAOYSA-N 2 2 297.446 3.317 20 30 CGEDLP CC[C@H](C[NH2+]C[C@H](C)CCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000602511509 347972954 /nfs/dbraw/zinc/97/29/54/347972954.db2.gz NNILRNAMXDTTGA-VQIMIIECSA-N 2 2 299.462 3.353 20 30 CGEDLP CC[C@H](C[NH2+]C[C@H](C)CCC#N)[N@H+]1CCc2ccccc2C1 ZINC000602511509 347972957 /nfs/dbraw/zinc/97/29/57/347972957.db2.gz NNILRNAMXDTTGA-VQIMIIECSA-N 2 2 299.462 3.353 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000611390754 348444579 /nfs/dbraw/zinc/44/45/79/348444579.db2.gz RTNZSWTUJXAIIN-GOSISDBHSA-N 2 2 283.419 3.011 20 30 CGEDLP CC(C)[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC000182709469 189332316 /nfs/dbraw/zinc/33/23/16/189332316.db2.gz DNPRVINKMKMFNN-UHFFFAOYSA-N 2 2 282.391 3.055 20 30 CGEDLP CC(C)[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC000182709469 189332317 /nfs/dbraw/zinc/33/23/17/189332317.db2.gz DNPRVINKMKMFNN-UHFFFAOYSA-N 2 2 282.391 3.055 20 30 CGEDLP C[C@@H]1C[C@@H]([NH+](C)CC#Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000154297862 371834670 /nfs/dbraw/zinc/83/46/70/371834670.db2.gz NKFJILQXFUOAIX-PBHICJAKSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@@H]1C[C@@H]([NH+](C)CC#Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000154297862 371834677 /nfs/dbraw/zinc/83/46/77/371834677.db2.gz NKFJILQXFUOAIX-PBHICJAKSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@@H]1C[C@@H]([N@H+](C)CC#Cc2cccc(Cl)c2)CC[NH+]1C ZINC000154297862 371834684 /nfs/dbraw/zinc/83/46/84/371834684.db2.gz NKFJILQXFUOAIX-PBHICJAKSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC#Cc2cccc(Cl)c2)CC[NH+]1C ZINC000154297862 371834693 /nfs/dbraw/zinc/83/46/93/371834693.db2.gz NKFJILQXFUOAIX-PBHICJAKSA-N 2 2 290.838 3.106 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC000439007780 372972622 /nfs/dbraw/zinc/97/26/22/372972622.db2.gz ZKVSFEWJFJGQGT-JKSUJKDBSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC000439007780 372972628 /nfs/dbraw/zinc/97/26/28/372972628.db2.gz ZKVSFEWJFJGQGT-JKSUJKDBSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccc(C#N)cc2)CC1 ZINC000447525579 373444113 /nfs/dbraw/zinc/44/41/13/373444113.db2.gz ATOZCOQTEQADSA-GOSISDBHSA-N 2 2 283.419 3.249 20 30 CGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449444462 373718873 /nfs/dbraw/zinc/71/88/73/373718873.db2.gz AOYAASVLBYRZIP-NEPXVJNWSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449444462 373718888 /nfs/dbraw/zinc/71/88/88/373718888.db2.gz AOYAASVLBYRZIP-NEPXVJNWSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000334397085 374713456 /nfs/dbraw/zinc/71/34/56/374713456.db2.gz WMEQRTKYANIZBL-HNNXBMFYSA-N 2 2 283.419 3.179 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000334397085 374713460 /nfs/dbraw/zinc/71/34/60/374713460.db2.gz WMEQRTKYANIZBL-HNNXBMFYSA-N 2 2 283.419 3.179 20 30 CGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185901160 374762653 /nfs/dbraw/zinc/76/26/53/374762653.db2.gz HJKJDSHHKGYEGV-KANFNMMFSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185901160 374762658 /nfs/dbraw/zinc/76/26/58/374762658.db2.gz HJKJDSHHKGYEGV-KANFNMMFSA-N 2 2 297.446 3.179 20 30 CGEDLP C=CCC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccco1 ZINC000530218927 375939505 /nfs/dbraw/zinc/93/95/05/375939505.db2.gz XTUPXBLPXAUGKL-DZGCQCFKSA-N 2 2 260.381 3.161 20 30 CGEDLP N#Cc1ccccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535575614 376043168 /nfs/dbraw/zinc/04/31/68/376043168.db2.gz RHUWLBWTVAXCQM-UHFFFAOYSA-N 2 2 292.386 3.030 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248892272 377421916 /nfs/dbraw/zinc/42/19/16/377421916.db2.gz STUMCBKNTMRVPM-QYZOEREBSA-N 2 2 297.446 3.323 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000248892272 377421921 /nfs/dbraw/zinc/42/19/21/377421921.db2.gz STUMCBKNTMRVPM-QYZOEREBSA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000248990146 377439916 /nfs/dbraw/zinc/43/99/16/377439916.db2.gz NDUDZBKMKNTMOJ-OWYHZJEWSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000248990146 377439926 /nfs/dbraw/zinc/43/99/26/377439926.db2.gz NDUDZBKMKNTMOJ-OWYHZJEWSA-N 2 2 297.446 3.321 20 30 CGEDLP C=CC[C@@H]1[N@H+](CCCc2c[nH+]cn2C)CCCC1(C)C ZINC000565900259 377490672 /nfs/dbraw/zinc/49/06/72/377490672.db2.gz RPVDMSQLNFCHQG-INIZCTEOSA-N 2 2 275.440 3.419 20 30 CGEDLP C=CC[C@@H]1[N@@H+](CCCc2c[nH+]cn2C)CCCC1(C)C ZINC000565900259 377490679 /nfs/dbraw/zinc/49/06/79/377490679.db2.gz RPVDMSQLNFCHQG-INIZCTEOSA-N 2 2 275.440 3.419 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000341298136 377496549 /nfs/dbraw/zinc/49/65/49/377496549.db2.gz YMWYGQGCIYJICC-CFVMTHIKSA-N 2 2 261.413 3.259 20 30 CGEDLP C[C@@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000342756725 377775519 /nfs/dbraw/zinc/77/55/19/377775519.db2.gz VHQOTHIHPGTEQO-CRAIPNDOSA-N 2 2 294.402 3.032 20 30 CGEDLP C[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000342756725 377775528 /nfs/dbraw/zinc/77/55/28/377775528.db2.gz VHQOTHIHPGTEQO-CRAIPNDOSA-N 2 2 294.402 3.032 20 30 CGEDLP Cc1cccn2c(C[NH2+][C@H](C)c3ccc(C#N)cc3)c[nH+]c12 ZINC000343154090 377915744 /nfs/dbraw/zinc/91/57/44/377915744.db2.gz PARUYALLKHVQTC-CQSZACIVSA-N 2 2 290.370 3.365 20 30 CGEDLP C=CCCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000344299030 378166630 /nfs/dbraw/zinc/16/66/30/378166630.db2.gz OCHRWXPBJIYULI-INIZCTEOSA-N 2 2 287.451 3.380 20 30 CGEDLP CCC1([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000272258099 378597796 /nfs/dbraw/zinc/59/77/96/378597796.db2.gz LLXXJTMZMSIONX-UHFFFAOYSA-N 2 2 297.446 3.445 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)C1CC1 ZINC000372186979 379190293 /nfs/dbraw/zinc/19/02/93/379190293.db2.gz UEVBSYMAZCNOBB-HOTGVXAUSA-N 2 2 273.424 3.403 20 30 CGEDLP C=CC[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC000351638178 379734232 /nfs/dbraw/zinc/73/42/32/379734232.db2.gz KFTXOYJHAUMWAW-LJQANCHMSA-N 2 2 297.446 3.421 20 30 CGEDLP C=CC[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC000351638178 379734246 /nfs/dbraw/zinc/73/42/46/379734246.db2.gz KFTXOYJHAUMWAW-LJQANCHMSA-N 2 2 297.446 3.421 20 30 CGEDLP C=CC[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(C#N)c1 ZINC000351638178 379734261 /nfs/dbraw/zinc/73/42/61/379734261.db2.gz KFTXOYJHAUMWAW-LJQANCHMSA-N 2 2 297.446 3.421 20 30 CGEDLP C=CC[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(C#N)c1 ZINC000351638178 379734276 /nfs/dbraw/zinc/73/42/76/379734276.db2.gz KFTXOYJHAUMWAW-LJQANCHMSA-N 2 2 297.446 3.421 20 30 CGEDLP CC1(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000280685671 379763819 /nfs/dbraw/zinc/76/38/19/379763819.db2.gz VIACDPCPTFHUBM-UHFFFAOYSA-N 2 2 297.446 3.302 20 30 CGEDLP Cc1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)ccc1C#N ZINC000362963303 382167987 /nfs/dbraw/zinc/16/79/87/382167987.db2.gz KTEUIFXFHFBKOY-UHFFFAOYSA-N 2 2 297.446 3.317 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(F)cc2O)CC1 ZINC000286089448 392374266 /nfs/dbraw/zinc/37/42/66/392374266.db2.gz MQINWUGRWXBMGH-INIZCTEOSA-N 2 2 292.398 3.222 20 30 CGEDLP C[NH+](C)[C@H](C[NH2+]CC(C)(C)CCC#N)Cc1ccccc1 ZINC000343101072 393017699 /nfs/dbraw/zinc/01/76/99/393017699.db2.gz MRUCHUXNXNSRLP-KRWDZBQOSA-N 2 2 287.451 3.079 20 30 CGEDLP C=CCC[C@@H](CC)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348832603 393132627 /nfs/dbraw/zinc/13/26/27/393132627.db2.gz JNQLASOWHBOFGP-OAHLLOKOSA-N 2 2 270.380 3.483 20 30 CGEDLP C=CCOc1ccccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678234232 543498808 /nfs/dbraw/zinc/49/88/08/543498808.db2.gz ATQQIXCYCKHZGC-KRWDZBQOSA-N 2 2 297.402 3.285 20 30 CGEDLP C=CCOc1ccccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678234232 543498810 /nfs/dbraw/zinc/49/88/10/543498810.db2.gz ATQQIXCYCKHZGC-KRWDZBQOSA-N 2 2 297.402 3.285 20 30 CGEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000657845052 419385779 /nfs/dbraw/zinc/38/57/79/419385779.db2.gz PGVQMRPRVAFCHH-HZPDHXFCSA-N 2 2 261.413 3.388 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000189325597 264289604 /nfs/dbraw/zinc/28/96/04/264289604.db2.gz BFHDTBAUXQOOKO-JSGCOSHPSA-N 2 2 290.373 3.348 20 30 CGEDLP C=C(C)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000130854859 264363611 /nfs/dbraw/zinc/36/36/11/264363611.db2.gz BSPAGKGELJIRDS-UHFFFAOYSA-N 2 2 278.827 3.470 20 30 CGEDLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C#N)c(F)c1 ZINC000540707063 288667681 /nfs/dbraw/zinc/66/76/81/288667681.db2.gz OHIYUPRVNAQECN-CYBMUJFWSA-N 2 2 286.354 3.025 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000189325644 329379546 /nfs/dbraw/zinc/37/95/46/329379546.db2.gz BFHDTBAUXQOOKO-OCCSQVGLSA-N 2 2 290.373 3.348 20 30 CGEDLP C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000489468744 332054668 /nfs/dbraw/zinc/05/46/68/332054668.db2.gz BWZBNBXYENSSLA-MRXNPFEDSA-N 2 2 267.376 3.413 20 30 CGEDLP C=C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000489468744 332054669 /nfs/dbraw/zinc/05/46/69/332054669.db2.gz BWZBNBXYENSSLA-MRXNPFEDSA-N 2 2 267.376 3.413 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2CCCCC2)CC1 ZINC000177313668 333057487 /nfs/dbraw/zinc/05/74/87/333057487.db2.gz NYNKDVGVOMTGQV-AWEZNQCLSA-N 2 2 250.430 3.195 20 30 CGEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)CCC2 ZINC000359900967 534511307 /nfs/dbraw/zinc/51/13/07/534511307.db2.gz PTYIVGUGRVWTDD-RHSMWYFYSA-N 2 2 294.402 3.291 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)C[C@H]2C)CC1 ZINC000193132241 526452967 /nfs/dbraw/zinc/45/29/67/526452967.db2.gz IPBADEACSDVZSD-UKRRQHHQSA-N 2 2 250.430 3.051 20 30 CGEDLP CC(C)(CCC#N)CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000353143122 527001828 /nfs/dbraw/zinc/00/18/28/527001828.db2.gz SZBBAODQGUYQSN-UHFFFAOYSA-N 2 2 283.379 3.068 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CSC(C)(C)C)CC1 ZINC000177908663 618143174 /nfs/dbraw/zinc/14/31/74/618143174.db2.gz OYIHVSWQANUBFA-ZDUSSCGKSA-N 2 2 270.486 3.147 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(C#N)cc1 ZINC000902434874 621317591 /nfs/dbraw/zinc/31/75/91/621317591.db2.gz PJQNSSWHVVEARB-IPMKNSEASA-N 2 2 291.398 3.224 20 30 CGEDLP C=CCC[C@H]([NH2+]CCCn1cc[nH+]c1)[C@]1(C)CCCCO1 ZINC000902721070 621409306 /nfs/dbraw/zinc/40/93/06/621409306.db2.gz TWJFKQVXZSHELR-IRXDYDNUSA-N 2 2 291.439 3.157 20 30 CGEDLP C=CCC[C@@H](CC)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938635 632239519 /nfs/dbraw/zinc/23/95/19/632239519.db2.gz OQPQKFJWIZLOCO-WBVHZDCISA-N 2 2 275.440 3.087 20 30 CGEDLP C#C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000847019552 636312489 /nfs/dbraw/zinc/31/24/89/636312489.db2.gz RIJHSKHMPLCIES-MRXNPFEDSA-N 2 2 279.387 3.026 20 30 CGEDLP C#C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000847019552 636312495 /nfs/dbraw/zinc/31/24/95/636312495.db2.gz RIJHSKHMPLCIES-MRXNPFEDSA-N 2 2 279.387 3.026 20 30 CGEDLP N#CC1(CCCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000929992887 638967118 /nfs/dbraw/zinc/96/71/18/638967118.db2.gz XNDNFXWUAXSPET-HNNXBMFYSA-N 2 2 286.423 3.453 20 30 CGEDLP N#CC1(CCCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000929992887 638967119 /nfs/dbraw/zinc/96/71/19/638967119.db2.gz XNDNFXWUAXSPET-HNNXBMFYSA-N 2 2 286.423 3.453 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001255165112 806562761 /nfs/dbraw/zinc/56/27/61/806562761.db2.gz UEASKWMPUOZWCZ-QGZVFWFLSA-N 2 2 285.435 3.323 20 30 CGEDLP C[C@@]1(C#N)CC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409957 806635711 /nfs/dbraw/zinc/63/57/11/806635711.db2.gz OAMSXZZMPLGTHU-OALUTQOASA-N 2 2 297.446 3.277 20 30 CGEDLP C[C@@]1(C#N)CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409957 806635715 /nfs/dbraw/zinc/63/57/15/806635715.db2.gz OAMSXZZMPLGTHU-OALUTQOASA-N 2 2 297.446 3.277 20 30 CGEDLP C[C@@]1(C#N)CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255409957 806635718 /nfs/dbraw/zinc/63/57/18/806635718.db2.gz OAMSXZZMPLGTHU-OALUTQOASA-N 2 2 297.446 3.277 20 30 CGEDLP C[C@@]1(C#N)CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409957 806635720 /nfs/dbraw/zinc/63/57/20/806635720.db2.gz OAMSXZZMPLGTHU-OALUTQOASA-N 2 2 297.446 3.277 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[N@H+](CC)CC[NH3+] ZINC001246052956 804105189 /nfs/dbraw/zinc/10/51/89/804105189.db2.gz PFSXFYQUEABCHP-INIZCTEOSA-N 2 2 272.477 3.159 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[N@@H+](CC)CC[NH3+] ZINC001246052956 804105193 /nfs/dbraw/zinc/10/51/93/804105193.db2.gz PFSXFYQUEABCHP-INIZCTEOSA-N 2 2 272.477 3.159 20 30 CGEDLP CCCCCCCCC[C@H](C)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246093551 804125794 /nfs/dbraw/zinc/12/57/94/804125794.db2.gz OKUYBLFEWBJDNT-HOTGVXAUSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCC[C@H](CC)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246549527 804398021 /nfs/dbraw/zinc/39/80/21/804398021.db2.gz MKCBOJWUMRJSNH-HOTGVXAUSA-N 2 2 270.461 3.046 20 30 CGEDLP CCCCCCC[C@H](CC)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246549527 804398029 /nfs/dbraw/zinc/39/80/29/804398029.db2.gz MKCBOJWUMRJSNH-HOTGVXAUSA-N 2 2 270.461 3.046 20 30 CGEDLP CCCCCCC[C@H](CCC)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246551820 804402154 /nfs/dbraw/zinc/40/21/54/804402154.db2.gz RKWLIWAIVHJSQJ-DLBZAZTESA-N 2 2 284.488 3.436 20 30 CGEDLP CCCCCCC[C@H](CCC)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246551820 804402161 /nfs/dbraw/zinc/40/21/61/804402161.db2.gz RKWLIWAIVHJSQJ-DLBZAZTESA-N 2 2 284.488 3.436 20 30 CGEDLP CCCCCCC[C@@H](CCC)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246551821 804402349 /nfs/dbraw/zinc/40/23/49/804402349.db2.gz RKWLIWAIVHJSQJ-IAGOWNOFSA-N 2 2 284.488 3.436 20 30 CGEDLP CCCCCCC[C@@H](CCC)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246551821 804402355 /nfs/dbraw/zinc/40/23/55/804402355.db2.gz RKWLIWAIVHJSQJ-IAGOWNOFSA-N 2 2 284.488 3.436 20 30 CGEDLP CCCCCCCCC[C@@H](C)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246614568 804448685 /nfs/dbraw/zinc/44/86/85/804448685.db2.gz OLCIZABQZXGPLV-OAHLLOKOSA-N 2 2 252.446 3.421 20 30 CGEDLP C#Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001144581551 805010172 /nfs/dbraw/zinc/01/01/72/805010172.db2.gz WJLUWADTXHHINF-SFHVURJKSA-N 2 2 292.382 3.025 20 30 CGEDLP C#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1 ZINC001144581551 805010184 /nfs/dbraw/zinc/01/01/84/805010184.db2.gz WJLUWADTXHHINF-SFHVURJKSA-N 2 2 292.382 3.025 20 30 CGEDLP N#CC1([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCCCC1 ZINC001256847966 806991141 /nfs/dbraw/zinc/99/11/41/806991141.db2.gz IXZFXCNNNCJHHI-UHFFFAOYSA-N 2 2 298.434 3.257 20 30 CGEDLP C=C1C[C@@H]2CC([NH2+][C@H]3CC[N@H+](CC4CC4)C3)C[C@H](C1)C2 ZINC001257890666 807241179 /nfs/dbraw/zinc/24/11/79/807241179.db2.gz UPLJSAYLSIYODP-KTGAGVNESA-N 2 2 274.452 3.195 20 30 CGEDLP C=C1C[C@@H]2CC([NH2+][C@H]3CC[N@@H+](CC4CC4)C3)C[C@H](C1)C2 ZINC001257890666 807241182 /nfs/dbraw/zinc/24/11/82/807241182.db2.gz UPLJSAYLSIYODP-KTGAGVNESA-N 2 2 274.452 3.195 20 30 CGEDLP C=C1C[C@@H]2CC([NH+]3C[C@@H]4CCC[N@@H+](C)[C@@H]4C3)C[C@H](C1)C2 ZINC001257894350 807244221 /nfs/dbraw/zinc/24/42/21/807244221.db2.gz QMCWDRPXQMFYGN-GFHHTVLPSA-N 2 2 274.452 3.147 20 30 CGEDLP C=C1C[C@@H]2CC([NH+]3C[C@@H]4CCC[N@H+](C)[C@@H]4C3)C[C@H](C1)C2 ZINC001257894350 807244224 /nfs/dbraw/zinc/24/42/24/807244224.db2.gz QMCWDRPXQMFYGN-GFHHTVLPSA-N 2 2 274.452 3.147 20 30 CGEDLP C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)C[C@H](C1)C2 ZINC001257894350 807244228 /nfs/dbraw/zinc/24/42/28/807244228.db2.gz QMCWDRPXQMFYGN-GFHHTVLPSA-N 2 2 274.452 3.147 20 30 CGEDLP C=C1C[C@@H]2CC([N@H+]3C[C@@H]4CCC[NH+](C)[C@@H]4C3)C[C@H](C1)C2 ZINC001257894350 807244233 /nfs/dbraw/zinc/24/42/33/807244233.db2.gz QMCWDRPXQMFYGN-GFHHTVLPSA-N 2 2 274.452 3.147 20 30 CGEDLP CCCCCCC[C@@H](C)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258040861 807270839 /nfs/dbraw/zinc/27/08/39/807270839.db2.gz IYIGIOOTIMOJBB-QGZVFWFLSA-N 3 2 285.520 3.338 20 30 CGEDLP CCCCCCC[C@@H](C)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258040861 807270845 /nfs/dbraw/zinc/27/08/45/807270845.db2.gz IYIGIOOTIMOJBB-QGZVFWFLSA-N 3 2 285.520 3.338 20 30 CGEDLP C[NH+](C)C1CCC([NH2+]C2(C#N)CCCCCC2)CC1 ZINC001168297978 807374615 /nfs/dbraw/zinc/37/46/15/807374615.db2.gz SSVOLWCFVJTAPD-UHFFFAOYSA-N 2 2 263.429 3.065 20 30 CGEDLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C#N)CC(C)C ZINC001258902777 807670375 /nfs/dbraw/zinc/67/03/75/807670375.db2.gz FTACLZZIRYCXCV-GJZGRUSLSA-N 2 2 253.434 3.025 20 30 CGEDLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC(CC#N)CC2)C1 ZINC001173333870 808617552 /nfs/dbraw/zinc/61/75/52/808617552.db2.gz NIYWCAISTRWIER-GPANFISMSA-N 2 2 277.456 3.169 20 30 CGEDLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2CCC(CC#N)CC2)C1 ZINC001173333870 808617555 /nfs/dbraw/zinc/61/75/55/808617555.db2.gz NIYWCAISTRWIER-GPANFISMSA-N 2 2 277.456 3.169 20 30 CGEDLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001206556815 813352012 /nfs/dbraw/zinc/35/20/12/813352012.db2.gz XPAZUZGTGJATHP-INIZCTEOSA-N 2 2 291.826 3.163 20 30 CGEDLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001206556815 813352019 /nfs/dbraw/zinc/35/20/19/813352019.db2.gz XPAZUZGTGJATHP-INIZCTEOSA-N 2 2 291.826 3.163 20 30 CGEDLP C=CCCCCC[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001209422921 814025928 /nfs/dbraw/zinc/02/59/28/814025928.db2.gz KSNMVXCUCUUDHS-UHFFFAOYSA-N 2 2 262.441 3.151 20 30 CGEDLP C=CCCCCC[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001209422921 814025931 /nfs/dbraw/zinc/02/59/31/814025931.db2.gz KSNMVXCUCUUDHS-UHFFFAOYSA-N 2 2 262.441 3.151 20 30 CGEDLP C=CCCCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001209440668 814040428 /nfs/dbraw/zinc/04/04/28/814040428.db2.gz NSNWHXHNAZZNMQ-CVEARBPZSA-N 2 2 250.430 3.149 20 30 CGEDLP C=CCCCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001209440668 814040434 /nfs/dbraw/zinc/04/04/34/814040434.db2.gz NSNWHXHNAZZNMQ-CVEARBPZSA-N 2 2 250.430 3.149 20 30 CGEDLP C=CCCCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001209440668 814040438 /nfs/dbraw/zinc/04/04/38/814040438.db2.gz NSNWHXHNAZZNMQ-CVEARBPZSA-N 2 2 250.430 3.149 20 30 CGEDLP C=CCCCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001209440668 814040444 /nfs/dbraw/zinc/04/04/44/814040444.db2.gz NSNWHXHNAZZNMQ-CVEARBPZSA-N 2 2 250.430 3.149 20 30 CGEDLP C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(-c2c[nH+]cn2C)cc1 ZINC001218456473 816222685 /nfs/dbraw/zinc/22/26/85/816222685.db2.gz QZHUOKUUYVVDMO-SJLPKXTDSA-N 2 2 297.402 3.163 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC001222464699 816449752 /nfs/dbraw/zinc/44/97/52/816449752.db2.gz CIWVDPQLWZVZRR-SJORKVTESA-N 2 2 260.425 3.117 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC001222464699 816449755 /nfs/dbraw/zinc/44/97/55/816449755.db2.gz CIWVDPQLWZVZRR-SJORKVTESA-N 2 2 260.425 3.117 20 30 CGEDLP Cc1ccc(C#N)cc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242542478 823025358 /nfs/dbraw/zinc/02/53/58/823025358.db2.gz JEVYTMWRASWBLG-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(C#N)cc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001242542478 823025361 /nfs/dbraw/zinc/02/53/61/823025361.db2.gz JEVYTMWRASWBLG-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP CCC#C[C@H](C)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC001473777627 937821685 /nfs/dbraw/zinc/82/16/85/937821685.db2.gz FGKVMWBTPPUYDY-INIZCTEOSA-N 2 2 262.441 3.129 20 30 CGEDLP C=CC[C@H]1CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC001473865513 937826239 /nfs/dbraw/zinc/82/62/39/937826239.db2.gz VFXAWZRDSOEMRQ-INIZCTEOSA-N 2 2 267.376 3.331 20 30 CGEDLP C=CC[C@H]1CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC001473865513 937826241 /nfs/dbraw/zinc/82/62/41/937826241.db2.gz VFXAWZRDSOEMRQ-INIZCTEOSA-N 2 2 267.376 3.331 20 30 CGEDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000423507791 529611519 /nfs/dbraw/zinc/61/15/19/529611519.db2.gz QLKFCCYRMAWRQK-LIRRHRJNSA-N 2 2 293.414 3.471 20 30 CGEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000591577798 346930188 /nfs/dbraw/zinc/93/01/88/346930188.db2.gz HQFLJVKQONQJLC-SJLPKXTDSA-N 2 2 283.419 3.057 20 30 CGEDLP N#CC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCC1 ZINC000593653546 347100286 /nfs/dbraw/zinc/10/02/86/347100286.db2.gz PTWJUINPNGNALD-UHFFFAOYSA-N 2 2 289.467 3.457 20 30 CGEDLP N#CCCCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370015882 346551248 /nfs/dbraw/zinc/55/12/48/346551248.db2.gz BCNJQRGMSIJMTO-HNNXBMFYSA-N 2 2 286.423 3.093 20 30 CGEDLP N#CCCCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370015882 346551251 /nfs/dbraw/zinc/55/12/51/346551251.db2.gz BCNJQRGMSIJMTO-HNNXBMFYSA-N 2 2 286.423 3.093 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@H]1C ZINC000593696012 347104782 /nfs/dbraw/zinc/10/47/82/347104782.db2.gz YFPOZKMQAWEBSA-ZRGWGRIASA-N 2 2 297.446 3.157 20 30 CGEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517038 347186562 /nfs/dbraw/zinc/18/65/62/347186562.db2.gz UNVNETRAOPXXGD-KBXCAEBGSA-N 2 2 295.430 3.010 20 30 CGEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517038 347186565 /nfs/dbraw/zinc/18/65/65/347186565.db2.gz UNVNETRAOPXXGD-KBXCAEBGSA-N 2 2 295.430 3.010 20 30 CGEDLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(C#N)CCCCC1 ZINC000594740610 347215988 /nfs/dbraw/zinc/21/59/88/347215988.db2.gz ZWHGANLOIOCBKN-CVEARBPZSA-N 2 2 277.456 3.361 20 30 CGEDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]CC(C)(C)CCC#N ZINC000594979310 347247702 /nfs/dbraw/zinc/24/77/02/347247702.db2.gz IZWZXKPALKVPEO-HNNXBMFYSA-N 2 2 265.445 3.026 20 30 CGEDLP CCC[N@H+](Cc1c[nH+]c(C)n1C)Cc1ccc(C#N)cc1 ZINC000596983624 347524999 /nfs/dbraw/zinc/52/49/99/347524999.db2.gz CPBHYBZQQABTJI-UHFFFAOYSA-N 2 2 282.391 3.012 20 30 CGEDLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1ccc(C#N)cc1 ZINC000596983624 347525001 /nfs/dbraw/zinc/52/50/01/347525001.db2.gz CPBHYBZQQABTJI-UHFFFAOYSA-N 2 2 282.391 3.012 20 30 CGEDLP Cc1ccc(CCC[NH2+]CCc2ccc(C#N)cc2)c[nH+]1 ZINC000597179935 347546222 /nfs/dbraw/zinc/54/62/22/347546222.db2.gz YGQPNHYDQUPRPM-UHFFFAOYSA-N 2 2 279.387 3.027 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602617849 347995303 /nfs/dbraw/zinc/99/53/03/347995303.db2.gz OQVBYKDYAVGPNZ-SOLBZPMBSA-N 2 2 285.435 3.036 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602617849 347995305 /nfs/dbraw/zinc/99/53/05/347995305.db2.gz OQVBYKDYAVGPNZ-SOLBZPMBSA-N 2 2 285.435 3.036 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000602623661 347996140 /nfs/dbraw/zinc/99/61/40/347996140.db2.gz YLPCMBDLECQGNK-APWZRJJASA-N 2 2 299.462 3.426 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000602623661 347996141 /nfs/dbraw/zinc/99/61/41/347996141.db2.gz YLPCMBDLECQGNK-APWZRJJASA-N 2 2 299.462 3.426 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000602543379 347979255 /nfs/dbraw/zinc/97/92/55/347979255.db2.gz CGMAYHKBBIIQPN-NUJGCVRESA-N 2 2 285.435 3.351 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000602543379 347979259 /nfs/dbraw/zinc/97/92/59/347979259.db2.gz CGMAYHKBBIIQPN-NUJGCVRESA-N 2 2 285.435 3.351 20 30 CGEDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390139 348444724 /nfs/dbraw/zinc/44/47/24/348444724.db2.gz FNDBFAUDWZJMSD-FUHWJXTLSA-N 2 2 283.419 3.010 20 30 CGEDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390139 348444726 /nfs/dbraw/zinc/44/47/26/348444726.db2.gz FNDBFAUDWZJMSD-FUHWJXTLSA-N 2 2 283.419 3.010 20 30 CGEDLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000612585265 348530233 /nfs/dbraw/zinc/53/02/33/348530233.db2.gz UDCLFURVVFYYMI-ZBFHGGJFSA-N 2 2 277.456 3.169 20 30 CGEDLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000619508168 349254533 /nfs/dbraw/zinc/25/45/33/349254533.db2.gz BOTWIQQWKLMDFJ-AEFFLSMTSA-N 2 2 283.419 3.010 20 30 CGEDLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000619508168 349254536 /nfs/dbraw/zinc/25/45/36/349254536.db2.gz BOTWIQQWKLMDFJ-AEFFLSMTSA-N 2 2 283.419 3.010 20 30 CGEDLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(C#N)cc1F ZINC000423390907 236060884 /nfs/dbraw/zinc/06/08/84/236060884.db2.gz OVJOBSANLAQIIK-BLLLJJGKSA-N 2 2 289.398 3.126 20 30 CGEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(F)c(C#N)c1 ZINC000121542117 370871912 /nfs/dbraw/zinc/87/19/12/370871912.db2.gz ZTABPDKSJJEBEB-MRXNPFEDSA-N 2 2 289.398 3.004 20 30 CGEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(F)c(C#N)c1 ZINC000121542117 370871918 /nfs/dbraw/zinc/87/19/18/370871918.db2.gz ZTABPDKSJJEBEB-MRXNPFEDSA-N 2 2 289.398 3.004 20 30 CGEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(F)c(C#N)c1 ZINC000121542117 370871925 /nfs/dbraw/zinc/87/19/25/370871925.db2.gz ZTABPDKSJJEBEB-MRXNPFEDSA-N 2 2 289.398 3.004 20 30 CGEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(F)c(C#N)c1 ZINC000121542117 370871930 /nfs/dbraw/zinc/87/19/30/370871930.db2.gz ZTABPDKSJJEBEB-MRXNPFEDSA-N 2 2 289.398 3.004 20 30 CGEDLP C=C(Cl)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108967 369930470 /nfs/dbraw/zinc/93/04/70/369930470.db2.gz QNAQRPYBDJRBJE-UHFFFAOYSA-N 2 2 293.842 3.372 20 30 CGEDLP C=C(Cl)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108967 369930475 /nfs/dbraw/zinc/93/04/75/369930475.db2.gz QNAQRPYBDJRBJE-UHFFFAOYSA-N 2 2 293.842 3.372 20 30 CGEDLP C=CCC[C@H]([NH2+]CC1([NH+](C)C)Cc2ccccc2C1)C1CC1 ZINC000438998318 372973312 /nfs/dbraw/zinc/97/33/12/372973312.db2.gz IFCQGJQDJCNJHN-IBGZPJMESA-N 2 2 298.474 3.420 20 30 CGEDLP C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@@H+]1CCCC[C@H]1C ZINC000449079766 373661039 /nfs/dbraw/zinc/66/10/39/373661039.db2.gz PVBWTITZOQARHJ-NUWOQIAWSA-N 2 2 277.456 3.311 20 30 CGEDLP C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@H+]1CCCC[C@H]1C ZINC000449079766 373661047 /nfs/dbraw/zinc/66/10/47/373661047.db2.gz PVBWTITZOQARHJ-NUWOQIAWSA-N 2 2 277.456 3.311 20 30 CGEDLP Cc1ccc(CCC[NH2+]Cc2ccc(C#N)c(F)c2)c[nH+]1 ZINC000449736475 373862559 /nfs/dbraw/zinc/86/25/59/373862559.db2.gz MUFMMSDUHIUJKZ-UHFFFAOYSA-N 2 2 283.350 3.123 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)C2(CC)CC)CC1 ZINC000181716296 374160197 /nfs/dbraw/zinc/16/01/97/374160197.db2.gz GUCKOLYAYSPOAV-IAGOWNOFSA-N 2 2 294.483 3.210 20 30 CGEDLP C=CC[C@H](CC)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000467404839 374974702 /nfs/dbraw/zinc/97/47/02/374974702.db2.gz DGBDMEPOTUWKQE-NJAFHUGGSA-N 2 2 272.436 3.451 20 30 CGEDLP C=CC[C@H](CC)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000467404839 374974706 /nfs/dbraw/zinc/97/47/06/374974706.db2.gz DGBDMEPOTUWKQE-NJAFHUGGSA-N 2 2 272.436 3.451 20 30 CGEDLP C=CC[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482123997 375168235 /nfs/dbraw/zinc/16/82/35/375168235.db2.gz HJDKMSYKKHZDOK-QGZVFWFLSA-N 2 2 272.436 3.235 20 30 CGEDLP C=CC[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000482123997 375168239 /nfs/dbraw/zinc/16/82/39/375168239.db2.gz HJDKMSYKKHZDOK-QGZVFWFLSA-N 2 2 272.436 3.235 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000474710780 375127122 /nfs/dbraw/zinc/12/71/22/375127122.db2.gz QLLBYGKLOQDULX-RDJZCZTQSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CCC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccco1 ZINC000530218938 375939801 /nfs/dbraw/zinc/93/98/01/375939801.db2.gz XTUPXBLPXAUGKL-ZFWWWQNUSA-N 2 2 260.381 3.161 20 30 CGEDLP C=C(C)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000236692440 376682728 /nfs/dbraw/zinc/68/27/28/376682728.db2.gz UWPQXJHPCSBEDI-UHFFFAOYSA-N 2 2 278.827 3.470 20 30 CGEDLP C=CC[C@H]1[N@H+](CCCc2c[nH+]cn2C)CCCC1(C)C ZINC000565900262 377490089 /nfs/dbraw/zinc/49/00/89/377490089.db2.gz RPVDMSQLNFCHQG-MRXNPFEDSA-N 2 2 275.440 3.419 20 30 CGEDLP C=CC[C@H]1[N@@H+](CCCc2c[nH+]cn2C)CCCC1(C)C ZINC000565900262 377490098 /nfs/dbraw/zinc/49/00/98/377490098.db2.gz RPVDMSQLNFCHQG-MRXNPFEDSA-N 2 2 275.440 3.419 20 30 CGEDLP CC[C@@H](CC#N)[NH2+]Cc1cccc(C[NH2+][C@@H](CC)CC#N)c1 ZINC000569706505 377529209 /nfs/dbraw/zinc/52/92/09/377529209.db2.gz PBKNPOLMNUORJW-ROUUACIJSA-N 2 2 298.434 3.250 20 30 CGEDLP C=CCCC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000279031796 194256807 /nfs/dbraw/zinc/25/68/07/194256807.db2.gz BMQURIGWGWCOLK-UHFFFAOYSA-N 2 2 255.365 3.237 20 30 CGEDLP C[C@H](C#N)C[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411219983 380136011 /nfs/dbraw/zinc/13/60/11/380136011.db2.gz AZPAKIDAAJEUOA-MRXNPFEDSA-N 2 2 285.435 3.264 20 30 CGEDLP C[C@H](C#N)C[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411219983 380136015 /nfs/dbraw/zinc/13/60/15/380136015.db2.gz AZPAKIDAAJEUOA-MRXNPFEDSA-N 2 2 285.435 3.264 20 30 CGEDLP N#CC1(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000411390969 380142391 /nfs/dbraw/zinc/14/23/91/380142391.db2.gz PEMRMTUPBBXSQK-OAHLLOKOSA-N 2 2 286.423 3.453 20 30 CGEDLP N#CC1(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCCC1 ZINC000411390969 380142399 /nfs/dbraw/zinc/14/23/99/380142399.db2.gz PEMRMTUPBBXSQK-OAHLLOKOSA-N 2 2 286.423 3.453 20 30 CGEDLP C[C@@H](CC#N)[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411325605 380142797 /nfs/dbraw/zinc/14/27/97/380142797.db2.gz ZVIYGYKDIBOAMV-INIZCTEOSA-N 2 2 285.435 3.406 20 30 CGEDLP C[C@@H](CC#N)[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411325605 380142805 /nfs/dbraw/zinc/14/28/05/380142805.db2.gz ZVIYGYKDIBOAMV-INIZCTEOSA-N 2 2 285.435 3.406 20 30 CGEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000331762730 392695617 /nfs/dbraw/zinc/69/56/17/392695617.db2.gz FLJKKIZJENYOCO-WMLDXEAASA-N 2 2 294.402 3.291 20 30 CGEDLP C=CC[C@H](C)[C@H](C)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348833028 393132403 /nfs/dbraw/zinc/13/24/03/393132403.db2.gz LJZVXLXSQMYUIY-KBPBESRZSA-N 2 2 270.380 3.339 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000192741551 227285885 /nfs/dbraw/zinc/28/58/85/227285885.db2.gz JBMLFHOMCIVVNL-KGLIPLIRSA-N 2 2 282.391 3.167 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000657901859 419426585 /nfs/dbraw/zinc/42/65/85/419426585.db2.gz HAOFHNKLPLGBIQ-ANQUJSFKSA-N 2 2 262.441 3.336 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000657901859 419426592 /nfs/dbraw/zinc/42/65/92/419426592.db2.gz HAOFHNKLPLGBIQ-ANQUJSFKSA-N 2 2 262.441 3.336 20 30 CGEDLP C[NH+](C)C[C@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000449066282 261144145 /nfs/dbraw/zinc/14/41/45/261144145.db2.gz BBCILKYKTFZSCF-ADKAHSJRSA-N 2 2 285.435 3.351 20 30 CGEDLP C=CCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309850786 262036008 /nfs/dbraw/zinc/03/60/08/262036008.db2.gz AIEOIFOFBDWLSF-WBVHZDCISA-N 2 2 258.409 3.205 20 30 CGEDLP C=CCCC[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309850786 262036010 /nfs/dbraw/zinc/03/60/10/262036010.db2.gz AIEOIFOFBDWLSF-WBVHZDCISA-N 2 2 258.409 3.205 20 30 CGEDLP N#CCCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000273142585 263013332 /nfs/dbraw/zinc/01/33/32/263013332.db2.gz FIHNLXGMRDBDAD-UHFFFAOYSA-N 2 2 291.826 3.198 20 30 CGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340441816 263150076 /nfs/dbraw/zinc/15/00/76/263150076.db2.gz DPGFBXQSPUEOLD-AYOQOUSVSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000340441816 263150077 /nfs/dbraw/zinc/15/00/77/263150077.db2.gz DPGFBXQSPUEOLD-AYOQOUSVSA-N 2 2 297.446 3.494 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000182868753 328513085 /nfs/dbraw/zinc/51/30/85/328513085.db2.gz QGJRYRYRJLCAII-GOSISDBHSA-N 2 2 288.410 3.443 20 30 CGEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000184094431 329256204 /nfs/dbraw/zinc/25/62/04/329256204.db2.gz REHCNGRZRVTYIH-AWEZNQCLSA-N 2 2 263.429 3.065 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000248395979 329892202 /nfs/dbraw/zinc/89/22/02/329892202.db2.gz JWDUFEZQCKTCAH-BFYDXBDKSA-N 2 2 277.456 3.311 20 30 CGEDLP C=CCCCC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423048377 330167221 /nfs/dbraw/zinc/16/72/21/330167221.db2.gz HSYVBWFEIBXFJC-ROUUACIJSA-N 2 2 288.435 3.434 20 30 CGEDLP C=C(C)CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423158428 330173574 /nfs/dbraw/zinc/17/35/74/330173574.db2.gz WSZICJVOJPBQKN-SJORKVTESA-N 2 2 274.408 3.044 20 30 CGEDLP C=CC[C@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000163322887 331021319 /nfs/dbraw/zinc/02/13/19/331021319.db2.gz AFJNRMUBDBAMAQ-DOTOQJQBSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000163322887 331021320 /nfs/dbraw/zinc/02/13/20/331021320.db2.gz AFJNRMUBDBAMAQ-DOTOQJQBSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453102089 331089270 /nfs/dbraw/zinc/08/92/70/331089270.db2.gz OSQKYTNKKICROJ-KRWDZBQOSA-N 2 2 262.441 3.195 20 30 CGEDLP C=CCCOCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902887513 621486116 /nfs/dbraw/zinc/48/61/16/621486116.db2.gz IOFQKBBGMYMZRU-OAHLLOKOSA-N 2 2 285.391 3.116 20 30 CGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H]1CCCSC1)C(C)C ZINC000769006064 627516306 /nfs/dbraw/zinc/51/63/06/627516306.db2.gz YMVPCAZBFDILMW-CVEARBPZSA-N 2 2 282.497 3.170 20 30 CGEDLP C=CCCCCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000806168132 630552356 /nfs/dbraw/zinc/55/23/56/630552356.db2.gz VITHGPMWVXMLQL-GDBMZVCRSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCCCCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000806168132 630552359 /nfs/dbraw/zinc/55/23/59/630552359.db2.gz VITHGPMWVXMLQL-GDBMZVCRSA-N 2 2 250.430 3.195 20 30 CGEDLP C=C(Cl)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000824098161 633194884 /nfs/dbraw/zinc/19/48/84/633194884.db2.gz JAKKNRWDTKNXQM-OAHLLOKOSA-N 2 2 292.854 3.424 20 30 CGEDLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC1(C#N)CCCCC1 ZINC000880142620 635923685 /nfs/dbraw/zinc/92/36/85/635923685.db2.gz RFLJBFKTPRKDKA-HOTGVXAUSA-N 2 2 275.440 3.019 20 30 CGEDLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC1(C#N)CCCCC1 ZINC000880142620 635923688 /nfs/dbraw/zinc/92/36/88/635923688.db2.gz RFLJBFKTPRKDKA-HOTGVXAUSA-N 2 2 275.440 3.019 20 30 CGEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1(C#N)CCCCC1 ZINC000880142620 635923690 /nfs/dbraw/zinc/92/36/90/635923690.db2.gz RFLJBFKTPRKDKA-HOTGVXAUSA-N 2 2 275.440 3.019 20 30 CGEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1(C#N)CCCCC1 ZINC000880142620 635923691 /nfs/dbraw/zinc/92/36/91/635923691.db2.gz RFLJBFKTPRKDKA-HOTGVXAUSA-N 2 2 275.440 3.019 20 30 CGEDLP C=CCC[C@H](COc1ccccc1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000883171866 636565169 /nfs/dbraw/zinc/56/51/69/636565169.db2.gz LFJPXWWKMMKYRJ-DLBZAZTESA-N 2 2 299.418 3.275 20 30 CGEDLP CCc1[nH+]ccc(C)c1Nc1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001159416607 806098794 /nfs/dbraw/zinc/09/87/94/806098794.db2.gz BRRLZCHAFRLJIN-UHFFFAOYSA-N 2 2 292.386 3.255 20 30 CGEDLP CC[NH+](CC)C1CC[NH+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC001120008127 802723771 /nfs/dbraw/zinc/72/37/71/802723771.db2.gz KRNGEIKKSFUCLR-UHFFFAOYSA-N 2 2 299.462 3.481 20 30 CGEDLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1C#N ZINC001244494451 803402715 /nfs/dbraw/zinc/40/27/15/803402715.db2.gz WJTMWYQGOPEVLH-LJQANCHMSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1C#N ZINC001244494451 803402719 /nfs/dbraw/zinc/40/27/19/803402719.db2.gz WJTMWYQGOPEVLH-LJQANCHMSA-N 2 2 291.398 3.067 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246032086 804102117 /nfs/dbraw/zinc/10/21/17/804102117.db2.gz XVXSTYSFIQXJDB-RCCFBDPRSA-N 2 2 296.499 3.172 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246032086 804102120 /nfs/dbraw/zinc/10/21/20/804102120.db2.gz XVXSTYSFIQXJDB-RCCFBDPRSA-N 2 2 296.499 3.172 20 30 CGEDLP CCCCCCC[C@H](CC)[NH2+][C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001246292492 804262193 /nfs/dbraw/zinc/26/21/93/804262193.db2.gz JVGGAKAEUAUFCY-HRCADAONSA-N 2 2 270.461 3.092 20 30 CGEDLP CCCCCCCCC[C@@H](C)[NH2+][C@@H]([NH3+])CCC[NH3+] ZINC001246299376 804265791 /nfs/dbraw/zinc/26/57/91/804265791.db2.gz HQSWBBTUNASOQI-HUUCEWRRSA-N 3 2 257.466 3.129 20 30 CGEDLP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246610902 804445480 /nfs/dbraw/zinc/44/54/80/804445480.db2.gz CUXGODFKCCMQDB-VQIMIIECSA-N 2 2 297.446 3.097 20 30 CGEDLP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246610902 804445483 /nfs/dbraw/zinc/44/54/83/804445483.db2.gz CUXGODFKCCMQDB-VQIMIIECSA-N 2 2 297.446 3.097 20 30 CGEDLP N#CCC[N@@H+](Cc1c[nH]c2cc[nH+]cc12)C1CCCC1 ZINC001140803147 804520138 /nfs/dbraw/zinc/52/01/38/804520138.db2.gz LPPIQLFOKIKQKX-UHFFFAOYSA-N 2 2 268.364 3.221 20 30 CGEDLP N#Cc1ccc2cc[nH+]c(NC[C@@]3(F)CCCC[NH2+]C3)c2c1 ZINC001155117333 805540710 /nfs/dbraw/zinc/54/07/10/805540710.db2.gz OZFUQNKMIMKWMB-QGZVFWFLSA-N 2 2 298.365 3.000 20 30 CGEDLP C=CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001258723470 807570834 /nfs/dbraw/zinc/57/08/34/807570834.db2.gz VZZIXHCYNNNSEJ-HNNXBMFYSA-N 2 2 288.435 3.301 20 30 CGEDLP C=CCC[C@@H](C)N(c1cc[nH+]c(OC)c1)C1CC[NH2+]CC1 ZINC001258736602 807581927 /nfs/dbraw/zinc/58/19/27/807581927.db2.gz XJMUWTJPCUCDSB-CQSZACIVSA-N 2 2 289.423 3.003 20 30 CGEDLP C[C@@H](Cc1ccc(C#N)cc1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001172319965 808229498 /nfs/dbraw/zinc/22/94/98/808229498.db2.gz SLXOMGKHPBEGKX-WMLDXEAASA-N 2 2 294.402 3.025 20 30 CGEDLP C=CCOC1CCC([NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC001173323685 808611545 /nfs/dbraw/zinc/61/15/45/808611545.db2.gz FCSMYVVLSYABMT-UHFFFAOYSA-N 2 2 289.423 3.034 20 30 CGEDLP N#Cc1cccc(CCC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC001208850416 813864592 /nfs/dbraw/zinc/86/45/92/813864592.db2.gz BQEICMCISOIRDW-UHFFFAOYSA-N 2 2 294.402 3.024 20 30 CGEDLP C=CCCC[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001209164548 813955110 /nfs/dbraw/zinc/95/51/10/813955110.db2.gz DLRYVMUBCWRCNI-UHFFFAOYSA-N 2 2 250.430 3.291 20 30 CGEDLP C=CCCC[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001209164548 813955114 /nfs/dbraw/zinc/95/51/14/813955114.db2.gz DLRYVMUBCWRCNI-UHFFFAOYSA-N 2 2 250.430 3.291 20 30 CGEDLP CC[N@H+](Cc1ccc(C#N)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001232120253 818259926 /nfs/dbraw/zinc/25/99/26/818259926.db2.gz PGBFMCYDUSMEJO-UHFFFAOYSA-N 2 2 291.826 3.128 20 30 CGEDLP CC[N@@H+](Cc1ccc(C#N)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001232120253 818259928 /nfs/dbraw/zinc/25/99/28/818259928.db2.gz PGBFMCYDUSMEJO-UHFFFAOYSA-N 2 2 291.826 3.128 20 30 CGEDLP C=CCC[N@@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]1 ZINC001235703403 819146553 /nfs/dbraw/zinc/14/65/53/819146553.db2.gz UQQZDDJULDBTTF-QGZVFWFLSA-N 2 2 258.409 3.207 20 30 CGEDLP C=CCC[N@H+](Cc1ccccc1)C[C@H]1CCCC[NH2+]1 ZINC001235703403 819146557 /nfs/dbraw/zinc/14/65/57/819146557.db2.gz UQQZDDJULDBTTF-QGZVFWFLSA-N 2 2 258.409 3.207 20 30 CGEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC1 ZINC000593723506 347108730 /nfs/dbraw/zinc/10/87/30/347108730.db2.gz WTKCEVBVOXYCSC-LJQANCHMSA-N 2 2 297.446 3.301 20 30 CGEDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000594983555 347248832 /nfs/dbraw/zinc/24/88/32/347248832.db2.gz PTUSTVZNRYJUHP-GTPINHCMSA-N 2 2 277.456 3.169 20 30 CGEDLP N#CC1CCC([NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000602521551 347974885 /nfs/dbraw/zinc/97/48/85/347974885.db2.gz PINRYROEGLWYQG-UHFFFAOYSA-N 2 2 280.375 3.044 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000602617844 347995491 /nfs/dbraw/zinc/99/54/91/347995491.db2.gz OQVBYKDYAVGPNZ-JFIYKMOQSA-N 2 2 285.435 3.036 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000602617844 347995494 /nfs/dbraw/zinc/99/54/94/347995494.db2.gz OQVBYKDYAVGPNZ-JFIYKMOQSA-N 2 2 285.435 3.036 20 30 CGEDLP CC[C@H](C[NH2+][C@@H]1CCCc2cc(C#N)ccc21)[NH+]1CCCC1 ZINC000611390582 348444717 /nfs/dbraw/zinc/44/47/17/348444717.db2.gz JFWZPSGUKUCRIA-IEBWSBKVSA-N 2 2 297.446 3.400 20 30 CGEDLP C=CCCC[C@@H](C)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626088848 350258408 /nfs/dbraw/zinc/25/84/08/350258408.db2.gz QKWHMDLWYQHZCA-QGZVFWFLSA-N 2 2 294.483 3.308 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(F)F)nc2)CC1 ZINC000631065843 350941112 /nfs/dbraw/zinc/94/11/12/350941112.db2.gz XRPJSWJNQSKQGV-UHFFFAOYSA-N 2 2 295.377 3.149 20 30 CGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)CC2 ZINC000423284896 236023811 /nfs/dbraw/zinc/02/38/11/236023811.db2.gz XJRYDWMYDATKCM-IBGZPJMESA-N 2 2 297.446 3.448 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccc(OC)cc2)CC1 ZINC000177908109 189078094 /nfs/dbraw/zinc/07/80/94/189078094.db2.gz WLCOMJPHMKNFMF-GOSISDBHSA-N 2 2 288.435 3.386 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2sc(C)nc2C)CC1 ZINC000177915886 189079176 /nfs/dbraw/zinc/07/91/76/189079176.db2.gz FAAIJMRWSINGFV-ZDUSSCGKSA-N 2 2 293.480 3.451 20 30 CGEDLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000344295550 217138296 /nfs/dbraw/zinc/13/82/96/217138296.db2.gz UEHSLSZPAGQKNJ-CQSZACIVSA-N 2 2 265.360 3.155 20 30 CGEDLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353582658 220172753 /nfs/dbraw/zinc/17/27/53/220172753.db2.gz SKGHKJXULHLJDJ-WMZOPIPTSA-N 2 2 283.419 3.010 20 30 CGEDLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353582658 220172754 /nfs/dbraw/zinc/17/27/54/220172754.db2.gz SKGHKJXULHLJDJ-WMZOPIPTSA-N 2 2 283.419 3.010 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+]C1CC[NH+](CC=C)CC1 ZINC000449120043 373664161 /nfs/dbraw/zinc/66/41/61/373664161.db2.gz BVWPJLOIWSHDBU-HNNXBMFYSA-N 2 2 250.430 3.361 20 30 CGEDLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449149805 373665934 /nfs/dbraw/zinc/66/59/34/373665934.db2.gz XZZCCVLBYJWMND-AQFXKWCLSA-N 2 2 277.456 3.313 20 30 CGEDLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449149805 373665941 /nfs/dbraw/zinc/66/59/41/373665941.db2.gz XZZCCVLBYJWMND-AQFXKWCLSA-N 2 2 277.456 3.313 20 30 CGEDLP C=CC1CC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450397304 374102041 /nfs/dbraw/zinc/10/20/41/374102041.db2.gz YQQDBYSWBUJSML-MRXNPFEDSA-N 2 2 250.430 3.147 20 30 CGEDLP C=CC1CC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450397304 374102049 /nfs/dbraw/zinc/10/20/49/374102049.db2.gz YQQDBYSWBUJSML-MRXNPFEDSA-N 2 2 250.430 3.147 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000185383953 374652608 /nfs/dbraw/zinc/65/26/08/374652608.db2.gz WFTDBGRNYKZHRH-CQSZACIVSA-N 2 2 274.408 3.002 20 30 CGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248772261 377400435 /nfs/dbraw/zinc/40/04/35/377400435.db2.gz HJKJDSHHKGYEGV-YSHGAJCASA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248772261 377400442 /nfs/dbraw/zinc/40/04/42/377400442.db2.gz HJKJDSHHKGYEGV-YSHGAJCASA-N 2 2 297.446 3.179 20 30 CGEDLP C=C(C)C[NH+]1CCC(Nc2[nH+]ccc3cc(F)ccc32)CC1 ZINC000578743374 378097072 /nfs/dbraw/zinc/09/70/72/378097072.db2.gz BFJMYNKTPDZKIB-UHFFFAOYSA-N 2 2 299.393 3.248 20 30 CGEDLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(C#N)c(F)c1 ZINC000271952630 378529021 /nfs/dbraw/zinc/52/90/21/378529021.db2.gz OWTWWNIOQDBACP-ZDUSSCGKSA-N 2 2 298.365 3.245 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000279745448 379504761 /nfs/dbraw/zinc/50/47/61/379504761.db2.gz PJOIBWHIBZSXNC-QAPCUYQASA-N 2 2 288.435 3.003 20 30 CGEDLP C=CCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389837885 379902430 /nfs/dbraw/zinc/90/24/30/379902430.db2.gz LKGRFBAPEKZYQO-RDJZCZTQSA-N 2 2 258.409 3.063 20 30 CGEDLP C=CCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389837885 379902433 /nfs/dbraw/zinc/90/24/33/379902433.db2.gz LKGRFBAPEKZYQO-RDJZCZTQSA-N 2 2 258.409 3.063 20 30 CGEDLP C[C@H](CCC#N)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000411500086 380148740 /nfs/dbraw/zinc/14/87/40/380148740.db2.gz FDTOCRBKKLPUEM-OAHLLOKOSA-N 2 2 274.412 3.068 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421326871 380876247 /nfs/dbraw/zinc/87/62/47/380876247.db2.gz OWIDOISSBKOMEY-UHFFFAOYSA-N 2 2 262.441 3.339 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000358288551 381300229 /nfs/dbraw/zinc/30/02/29/381300229.db2.gz DOUXYMQHYPTYKR-ZMSDIMECSA-N 2 2 277.456 3.311 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000237562096 131041959 /nfs/dbraw/zinc/04/19/59/131041959.db2.gz PLEGYQBQXGCIIB-BBRMVZONSA-N 2 2 274.408 3.143 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2CC)CC1 ZINC000181746531 392735651 /nfs/dbraw/zinc/73/56/51/392735651.db2.gz DKXTYTVRHKVFLE-HOCLYGCPSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCCCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000349611592 393151284 /nfs/dbraw/zinc/15/12/84/393151284.db2.gz OKNYTRWQYDGGQS-UHFFFAOYSA-N 2 2 261.394 3.380 20 30 CGEDLP CC[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000442708766 393738525 /nfs/dbraw/zinc/73/85/25/393738525.db2.gz LHGVDVCJQSIKHQ-AYOQOUSVSA-N 2 2 297.446 3.105 20 30 CGEDLP CC[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000442708766 393738526 /nfs/dbraw/zinc/73/85/26/393738526.db2.gz LHGVDVCJQSIKHQ-AYOQOUSVSA-N 2 2 297.446 3.105 20 30 CGEDLP C=C(C)COCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090451023 260359692 /nfs/dbraw/zinc/35/96/92/260359692.db2.gz SGFIHSRWEXHOBO-HNNXBMFYSA-N 2 2 285.391 3.116 20 30 CGEDLP C=CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000364191765 262182648 /nfs/dbraw/zinc/18/26/48/262182648.db2.gz VMUBPBAQOXXRLJ-FUHWJXTLSA-N 2 2 287.451 3.238 20 30 CGEDLP C=CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000364191765 262182650 /nfs/dbraw/zinc/18/26/50/262182650.db2.gz VMUBPBAQOXXRLJ-FUHWJXTLSA-N 2 2 287.451 3.238 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192605105 262205943 /nfs/dbraw/zinc/20/59/43/262205943.db2.gz XTNGEJRWJAABTI-HOTGVXAUSA-N 2 2 296.418 3.407 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000192953988 262212797 /nfs/dbraw/zinc/21/27/97/262212797.db2.gz NDUDZBKMKNTMOJ-QXCFHYIPSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000192953988 262212799 /nfs/dbraw/zinc/21/27/99/262212799.db2.gz NDUDZBKMKNTMOJ-QXCFHYIPSA-N 2 2 297.446 3.321 20 30 CGEDLP C=C(CC)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452108730 263037426 /nfs/dbraw/zinc/03/74/26/263037426.db2.gz FMOPNNZFUQJCQV-UHFFFAOYSA-N 2 2 278.362 3.301 20 30 CGEDLP C=C(CC)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452108730 263037427 /nfs/dbraw/zinc/03/74/27/263037427.db2.gz FMOPNNZFUQJCQV-UHFFFAOYSA-N 2 2 278.362 3.301 20 30 CGEDLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000287377793 263101875 /nfs/dbraw/zinc/10/18/75/263101875.db2.gz PFUDBZYFGSQXRU-XGXHKWSGSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000287377793 263101876 /nfs/dbraw/zinc/10/18/76/263101876.db2.gz PFUDBZYFGSQXRU-XGXHKWSGSA-N 2 2 297.446 3.321 20 30 CGEDLP C=CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1F ZINC000340371347 263120300 /nfs/dbraw/zinc/12/03/00/263120300.db2.gz JZMZETVRLRDDLD-MRXNPFEDSA-N 2 2 276.399 3.298 20 30 CGEDLP C=CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1F ZINC000340371347 263120301 /nfs/dbraw/zinc/12/03/01/263120301.db2.gz JZMZETVRLRDDLD-MRXNPFEDSA-N 2 2 276.399 3.298 20 30 CGEDLP C=CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1F ZINC000340371347 263120302 /nfs/dbraw/zinc/12/03/02/263120302.db2.gz JZMZETVRLRDDLD-MRXNPFEDSA-N 2 2 276.399 3.298 20 30 CGEDLP C=CC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1F ZINC000340371347 263120303 /nfs/dbraw/zinc/12/03/03/263120303.db2.gz JZMZETVRLRDDLD-MRXNPFEDSA-N 2 2 276.399 3.298 20 30 CGEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245597789 290221200 /nfs/dbraw/zinc/22/12/00/290221200.db2.gz LVRZUHLPYWLYQA-IIDMSEBBSA-N 2 2 294.402 3.399 20 30 CGEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245597789 290221202 /nfs/dbraw/zinc/22/12/02/290221202.db2.gz LVRZUHLPYWLYQA-IIDMSEBBSA-N 2 2 294.402 3.399 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C(C)C)CC1 ZINC000482639606 331841704 /nfs/dbraw/zinc/84/17/04/331841704.db2.gz DXLAYIPONHVUPS-IAGOWNOFSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)[C@@H](C)CCC)CC1 ZINC000177909984 333065537 /nfs/dbraw/zinc/06/55/37/333065537.db2.gz BVGBJIZJLHVJSX-HOCLYGCPSA-N 2 2 252.446 3.441 20 30 CGEDLP C=CCC[NH+](C)[C@@H]1CCCC[C@H]1[N@H+](C)CCC=C ZINC000545922473 334006291 /nfs/dbraw/zinc/00/62/91/334006291.db2.gz QMSMATFWFGDSIO-HZPDHXFCSA-N 2 2 250.430 3.313 20 30 CGEDLP C=CCC[NH+](C)[C@@H]1CCCC[C@H]1[N@@H+](C)CCC=C ZINC000545922473 334006292 /nfs/dbraw/zinc/00/62/92/334006292.db2.gz QMSMATFWFGDSIO-HZPDHXFCSA-N 2 2 250.430 3.313 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H](C)[C@@]1(C)CCCO1)C(C)C ZINC000551266173 334243816 /nfs/dbraw/zinc/24/38/16/334243816.db2.gz XLCHVVZHIMFRJJ-KZNAEPCWSA-N 2 2 294.483 3.232 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H](OC)c2ccccc2)CC1 ZINC000279745446 518859815 /nfs/dbraw/zinc/85/98/15/518859815.db2.gz PJOIBWHIBZSXNC-CRAIPNDOSA-N 2 2 288.435 3.003 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353270681 526453362 /nfs/dbraw/zinc/45/33/62/526453362.db2.gz BRMVPNFVKLXTLI-ZDUSSCGKSA-N 2 2 286.410 3.440 20 30 CGEDLP C=CCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000344327316 527271397 /nfs/dbraw/zinc/27/13/97/527271397.db2.gz LIMBNYAFMLCESI-MRXNPFEDSA-N 2 2 287.451 3.380 20 30 CGEDLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(C#N)cc1 ZINC000367439846 529188342 /nfs/dbraw/zinc/18/83/42/529188342.db2.gz XOUSGICRLBEXOF-QGZVFWFLSA-N 2 2 294.402 3.332 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000895705629 619873277 /nfs/dbraw/zinc/87/32/77/619873277.db2.gz DHBRURSZOCKMQV-NVXWUHKLSA-N 2 2 282.391 3.154 20 30 CGEDLP CC1([NH+]2CCC2)CCC(/[NH+]=C/c2ccccc2O)CC1 ZINC000899227069 620626771 /nfs/dbraw/zinc/62/67/71/620626771.db2.gz DWWPVJKVAGKVKE-QGOAFFKASA-N 2 2 272.392 3.218 20 30 CGEDLP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902790350 621448305 /nfs/dbraw/zinc/44/83/05/621448305.db2.gz PUDCJUDYFGSCFW-HNNXBMFYSA-N 2 2 288.439 3.116 20 30 CGEDLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000902797765 621452512 /nfs/dbraw/zinc/45/25/12/621452512.db2.gz YRCPUUFBMGURBB-ROUUACIJSA-N 2 2 283.419 3.083 20 30 CGEDLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000902797765 621452516 /nfs/dbraw/zinc/45/25/16/621452516.db2.gz YRCPUUFBMGURBB-ROUUACIJSA-N 2 2 283.419 3.083 20 30 CGEDLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1cccc(C#N)c1 ZINC000902825356 621456580 /nfs/dbraw/zinc/45/65/80/621456580.db2.gz LWRWDASRKYCHMA-RHSMWYFYSA-N 2 2 271.408 3.083 20 30 CGEDLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1cccc(C#N)c1 ZINC000902825356 621456582 /nfs/dbraw/zinc/45/65/82/621456582.db2.gz LWRWDASRKYCHMA-RHSMWYFYSA-N 2 2 271.408 3.083 20 30 CGEDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000775396059 628090060 /nfs/dbraw/zinc/09/00/60/628090060.db2.gz WYOBDWVKNJXVPX-KDOFPFPSSA-N 2 2 283.419 3.010 20 30 CGEDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000775396059 628090064 /nfs/dbraw/zinc/09/00/64/628090064.db2.gz WYOBDWVKNJXVPX-KDOFPFPSSA-N 2 2 283.419 3.010 20 30 CGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000817953223 632247979 /nfs/dbraw/zinc/24/79/79/632247979.db2.gz XMVMZHUZEVMMID-ZFWWWQNUSA-N 2 2 294.826 3.221 20 30 CGEDLP C=C/C=C/CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000883260516 636630656 /nfs/dbraw/zinc/63/06/56/636630656.db2.gz XZDREEAEISHYBG-ONEGZZNKSA-N 2 2 295.430 3.245 20 30 CGEDLP CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccc(C#N)c1O ZINC000924616958 638377205 /nfs/dbraw/zinc/37/72/05/638377205.db2.gz HGIMCOXEEATXBA-MRXNPFEDSA-N 2 2 289.423 3.035 20 30 CGEDLP N#Cc1cccc(C2([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)c1 ZINC000925926213 638655710 /nfs/dbraw/zinc/65/57/10/638655710.db2.gz MQWUZRMDMJLYAH-ROUUACIJSA-N 2 2 295.430 3.154 20 30 CGEDLP N#Cc1cccc(C2([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)c1 ZINC000925926213 638655713 /nfs/dbraw/zinc/65/57/13/638655713.db2.gz MQWUZRMDMJLYAH-ROUUACIJSA-N 2 2 295.430 3.154 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001252132301 806017802 /nfs/dbraw/zinc/01/78/02/806017802.db2.gz FBWDZAQGBSEGCZ-FGTMMUONSA-N 2 2 296.499 3.124 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001252132301 806017812 /nfs/dbraw/zinc/01/78/12/806017812.db2.gz FBWDZAQGBSEGCZ-FGTMMUONSA-N 2 2 296.499 3.124 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001252132301 806017818 /nfs/dbraw/zinc/01/78/18/806017818.db2.gz FBWDZAQGBSEGCZ-FGTMMUONSA-N 2 2 296.499 3.124 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001252132301 806017824 /nfs/dbraw/zinc/01/78/24/806017824.db2.gz FBWDZAQGBSEGCZ-FGTMMUONSA-N 2 2 296.499 3.124 20 30 CGEDLP C[NH+]1CCC([N@H+](C2CCCC2)[C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254680763 806485076 /nfs/dbraw/zinc/48/50/76/806485076.db2.gz ZWAJHBMKMAGIMB-PBHICJAKSA-N 2 2 275.440 3.017 20 30 CGEDLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254680763 806485081 /nfs/dbraw/zinc/48/50/81/806485081.db2.gz ZWAJHBMKMAGIMB-PBHICJAKSA-N 2 2 275.440 3.017 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000381435139 799379503 /nfs/dbraw/zinc/37/95/03/799379503.db2.gz VKYSTJIVBGOZBL-UHFFFAOYSA-N 2 2 290.794 3.131 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000381435139 799379511 /nfs/dbraw/zinc/37/95/11/799379511.db2.gz VKYSTJIVBGOZBL-UHFFFAOYSA-N 2 2 290.794 3.131 20 30 CGEDLP Cc1ccc(C#N)c(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001245605555 803850721 /nfs/dbraw/zinc/85/07/21/803850721.db2.gz TYFXRRKSLVPAIR-KRWDZBQOSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(C#N)c(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001245605555 803850734 /nfs/dbraw/zinc/85/07/34/803850734.db2.gz TYFXRRKSLVPAIR-KRWDZBQOSA-N 2 2 291.398 3.067 20 30 CGEDLP CCCCCCCCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246090760 804122187 /nfs/dbraw/zinc/12/21/87/804122187.db2.gz ZAGXLWSFOQWIHW-DLBZAZTESA-N 2 2 284.488 3.484 20 30 CGEDLP CCCCCCCC[C@@H](CC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246090714 804122709 /nfs/dbraw/zinc/12/27/09/804122709.db2.gz YMMVKKRATUFFIE-HZPDHXFCSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCCC[C@@H](CC)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246092257 804124434 /nfs/dbraw/zinc/12/44/34/804124434.db2.gz HJDXRMQDADMPFV-CVEARBPZSA-N 2 2 270.461 3.094 20 30 CGEDLP CC(C)C[NH+]1CCC([N@H+](CCC#N)C2CCCC2)CC1 ZINC001258014453 807265887 /nfs/dbraw/zinc/26/58/87/807265887.db2.gz KSXGPJYNFMYPKU-UHFFFAOYSA-N 2 2 277.456 3.265 20 30 CGEDLP CC(C)C[NH+]1CCC([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001258014453 807265891 /nfs/dbraw/zinc/26/58/91/807265891.db2.gz KSXGPJYNFMYPKU-UHFFFAOYSA-N 2 2 277.456 3.265 20 30 CGEDLP C=CCC[C@H](C)N(c1cc[nH+]c(OC)c1)C1CC[NH2+]CC1 ZINC001258736601 807581828 /nfs/dbraw/zinc/58/18/28/807581828.db2.gz XJMUWTJPCUCDSB-AWEZNQCLSA-N 2 2 289.423 3.003 20 30 CGEDLP C[C@@H](Cc1ccc(C#N)cc1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001172319968 808229018 /nfs/dbraw/zinc/22/90/18/808229018.db2.gz SLXOMGKHPBEGKX-YOEHRIQHSA-N 2 2 294.402 3.025 20 30 CGEDLP N#CCC1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC001173331459 808615938 /nfs/dbraw/zinc/61/59/38/808615938.db2.gz CNJKNKINLFXUNA-UYSNPLJNSA-N 2 2 275.440 3.065 20 30 CGEDLP N#CCC1CCC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC001173331459 808615940 /nfs/dbraw/zinc/61/59/40/808615940.db2.gz CNJKNKINLFXUNA-UYSNPLJNSA-N 2 2 275.440 3.065 20 30 CGEDLP C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001206573757 813358847 /nfs/dbraw/zinc/35/88/47/813358847.db2.gz NQSSNKPYXIIDJR-INIZCTEOSA-N 2 2 291.826 3.163 20 30 CGEDLP C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001206573757 813358853 /nfs/dbraw/zinc/35/88/53/813358853.db2.gz NQSSNKPYXIIDJR-INIZCTEOSA-N 2 2 291.826 3.163 20 30 CGEDLP CC(C)[N@H+](CCCc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC001208854601 813866558 /nfs/dbraw/zinc/86/65/58/813866558.db2.gz RCCOUFRFJVVRMT-UHFFFAOYSA-N 2 2 299.462 3.295 20 30 CGEDLP CC(C)[N@@H+](CCCc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC001208854601 813866566 /nfs/dbraw/zinc/86/65/66/813866566.db2.gz RCCOUFRFJVVRMT-UHFFFAOYSA-N 2 2 299.462 3.295 20 30 CGEDLP CCCCCCCCCCC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001210398971 814446190 /nfs/dbraw/zinc/44/61/90/814446190.db2.gz ITWLBXYLHKMPFI-MRXNPFEDSA-N 2 2 270.461 3.177 20 30 CGEDLP CCCCCCCCCCC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001210398971 814446196 /nfs/dbraw/zinc/44/61/96/814446196.db2.gz ITWLBXYLHKMPFI-MRXNPFEDSA-N 2 2 270.461 3.177 20 30 CGEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)c(Cl)c1 ZINC001232119589 818260716 /nfs/dbraw/zinc/26/07/16/818260716.db2.gz HGNBVEGLHNJWCS-UHFFFAOYSA-N 2 2 291.826 3.129 20 30 CGEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)c(Cl)c1 ZINC001232119589 818260722 /nfs/dbraw/zinc/26/07/22/818260722.db2.gz HGNBVEGLHNJWCS-UHFFFAOYSA-N 2 2 291.826 3.129 20 30 CGEDLP C=CC[NH2+]CC[N@@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001236189257 819361410 /nfs/dbraw/zinc/36/14/10/819361410.db2.gz JXDMLPJCYXDJHT-QGZVFWFLSA-N 2 2 269.392 3.080 20 30 CGEDLP C=CC[NH2+]CC[N@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001236189257 819361418 /nfs/dbraw/zinc/36/14/18/819361418.db2.gz JXDMLPJCYXDJHT-QGZVFWFLSA-N 2 2 269.392 3.080 20 30 CGEDLP CCCCCCC/C=C/C[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236434246 819476405 /nfs/dbraw/zinc/47/64/05/819476405.db2.gz LAVIGFQNJRPCEI-XVJNWHFHSA-N 2 2 256.409 3.276 20 30 CGEDLP CCCCCCC/C=C/C[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236434246 819476408 /nfs/dbraw/zinc/47/64/08/819476408.db2.gz LAVIGFQNJRPCEI-XVJNWHFHSA-N 2 2 256.409 3.276 20 30 CGEDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001236898902 819633565 /nfs/dbraw/zinc/63/35/65/819633565.db2.gz ADMNDWIPVBEJIA-AWEZNQCLSA-N 2 2 295.386 3.130 20 30 CGEDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001236898902 819633569 /nfs/dbraw/zinc/63/35/69/819633569.db2.gz ADMNDWIPVBEJIA-AWEZNQCLSA-N 2 2 295.386 3.130 20 30 CGEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)c(C#N)c1 ZINC001238194694 819953050 /nfs/dbraw/zinc/95/30/50/819953050.db2.gz RJDYZYCGJVTHAQ-UHFFFAOYSA-N 2 2 291.826 3.129 20 30 CGEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Cl)c(C#N)c1 ZINC001238194694 819953055 /nfs/dbraw/zinc/95/30/55/819953055.db2.gz RJDYZYCGJVTHAQ-UHFFFAOYSA-N 2 2 291.826 3.129 20 30 CGEDLP Cc1cc(C#N)ccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242474283 823004803 /nfs/dbraw/zinc/00/48/03/823004803.db2.gz KMNDGKDAMQQKSX-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1cc(C#N)ccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001242474283 823004805 /nfs/dbraw/zinc/00/48/05/823004805.db2.gz KMNDGKDAMQQKSX-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP C=CC[C@H]1CC[C@@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)C1 ZINC001308971046 933217972 /nfs/dbraw/zinc/21/79/72/933217972.db2.gz PREAZRVOLVKDKH-XHSDSOJGSA-N 2 2 252.446 3.297 20 30 CGEDLP C=CC[C@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000651797313 398290037 /nfs/dbraw/zinc/29/00/37/398290037.db2.gz JYBXLHLWHMHCCF-KBPBESRZSA-N 2 2 259.397 3.054 20 30 CGEDLP CC[C@H]([NH2+]CC[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000447541740 529601635 /nfs/dbraw/zinc/60/16/35/529601635.db2.gz MXEUOVVBIPJRSS-KRWDZBQOSA-N 2 2 271.408 3.085 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000591577345 346929395 /nfs/dbraw/zinc/92/93/95/346929395.db2.gz UQAKMJCGUWYOKW-RBUKOAKNSA-N 2 2 291.398 3.225 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2cccnc2)C(C)C)CC1 ZINC000091334251 345810872 /nfs/dbraw/zinc/81/08/72/345810872.db2.gz YJZYLBJOUNFXSR-QGZVFWFLSA-N 2 2 273.424 3.019 20 30 CGEDLP CCC[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593702683 347105567 /nfs/dbraw/zinc/10/55/67/347105567.db2.gz MWEFBFCQDOWQTM-HNNXBMFYSA-N 2 2 285.435 3.301 20 30 CGEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594498432 347179458 /nfs/dbraw/zinc/17/94/58/347179458.db2.gz PTBWYZOWBOXPEC-KSSFIOAISA-N 2 2 297.446 3.060 20 30 CGEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594498432 347179460 /nfs/dbraw/zinc/17/94/60/347179460.db2.gz PTBWYZOWBOXPEC-KSSFIOAISA-N 2 2 297.446 3.060 20 30 CGEDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000594983856 347248851 /nfs/dbraw/zinc/24/88/51/347248851.db2.gz PTUSTVZNRYJUHP-KLAILNCOSA-N 2 2 277.456 3.169 20 30 CGEDLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000595051907 347270078 /nfs/dbraw/zinc/27/00/78/347270078.db2.gz XCBQGNDMPVJLJX-IRXDYDNUSA-N 2 2 285.435 3.472 20 30 CGEDLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000595051907 347270081 /nfs/dbraw/zinc/27/00/81/347270081.db2.gz XCBQGNDMPVJLJX-IRXDYDNUSA-N 2 2 285.435 3.472 20 30 CGEDLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000600767600 347832492 /nfs/dbraw/zinc/83/24/92/347832492.db2.gz BTAWKLBYIBJUPO-KRWDZBQOSA-N 2 2 283.375 3.064 20 30 CGEDLP Cc1ccc([C@H](C[NH2+]C[C@@H](C)CCC#N)[NH+](C)C)cc1 ZINC000602524647 347976142 /nfs/dbraw/zinc/97/61/42/347976142.db2.gz OGBQIAFNFRVQSI-RDJZCZTQSA-N 2 2 273.424 3.127 20 30 CGEDLP C[C@H](CC#N)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000602868527 348038414 /nfs/dbraw/zinc/03/84/14/348038414.db2.gz CDURDDHTNSIVHE-OAHLLOKOSA-N 2 2 271.408 3.064 20 30 CGEDLP CCC1([NH+](C)C)CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000602966705 348047732 /nfs/dbraw/zinc/04/77/32/348047732.db2.gz OWANNHGMFBZRBC-HNNXBMFYSA-N 2 2 285.435 3.425 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000614962868 348703041 /nfs/dbraw/zinc/70/30/41/348703041.db2.gz KBKCFMGMLPXXAO-YOEHRIQHSA-N 2 2 280.375 3.153 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000614962868 348703044 /nfs/dbraw/zinc/70/30/44/348703044.db2.gz KBKCFMGMLPXXAO-YOEHRIQHSA-N 2 2 280.375 3.153 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)o2)CC1 ZINC000153044185 188061201 /nfs/dbraw/zinc/06/12/01/188061201.db2.gz ZNWMGAHTIYWRHV-AWEZNQCLSA-N 2 2 262.397 3.279 20 30 CGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000353599135 283197999 /nfs/dbraw/zinc/19/79/99/283197999.db2.gz VTGNEOXRZDJZAJ-PKOBYXMFSA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)CC2 ZINC000353599135 283198004 /nfs/dbraw/zinc/19/80/04/283198004.db2.gz VTGNEOXRZDJZAJ-PKOBYXMFSA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)o1 ZINC000177583271 189058379 /nfs/dbraw/zinc/05/83/79/189058379.db2.gz VVIKPCDPNHBOSM-UHFFFAOYSA-N 2 2 287.407 3.038 20 30 CGEDLP C=CCOc1ccccc1C[NH2+]C1CC[NH+](CCC)CC1 ZINC000035011196 368989882 /nfs/dbraw/zinc/98/98/82/368989882.db2.gz UAWDTQHMMVRTLG-UHFFFAOYSA-N 2 2 288.435 3.215 20 30 CGEDLP C[C@H]1C[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C[N@@H+]1C1CC1 ZINC000090665832 370063732 /nfs/dbraw/zinc/06/37/32/370063732.db2.gz HKYXBIGXNVAWJD-ZVZYQTTQSA-N 2 2 283.419 3.246 20 30 CGEDLP C[C@H]1C[C@H]([NH2+][C@@H](CCC#N)c2ccccc2)C[N@H+]1C1CC1 ZINC000090665832 370063736 /nfs/dbraw/zinc/06/37/36/370063736.db2.gz HKYXBIGXNVAWJD-ZVZYQTTQSA-N 2 2 283.419 3.246 20 30 CGEDLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442784292 373080015 /nfs/dbraw/zinc/08/00/15/373080015.db2.gz RWWHJYRVPYIHDO-YQQAZPJKSA-N 2 2 285.435 3.398 20 30 CGEDLP C=CC[C@@H]1[N@H+](CCn2cc[nH+]c2C)CCCC1(C)C ZINC000444785375 373274105 /nfs/dbraw/zinc/27/41/05/373274105.db2.gz QLXPCGPLXUWQLB-HNNXBMFYSA-N 2 2 261.413 3.258 20 30 CGEDLP C=CC[C@@H]1[N@@H+](CCn2cc[nH+]c2C)CCCC1(C)C ZINC000444785375 373274116 /nfs/dbraw/zinc/27/41/16/373274116.db2.gz QLXPCGPLXUWQLB-HNNXBMFYSA-N 2 2 261.413 3.258 20 30 CGEDLP C[C@H]([NH2+]CC1(C#N)CCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000450714676 374175158 /nfs/dbraw/zinc/17/51/58/374175158.db2.gz VNXZTIJQDSJRSZ-AWEZNQCLSA-N 2 2 280.375 3.217 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185885418 374761756 /nfs/dbraw/zinc/76/17/56/374761756.db2.gz OCDAJCALSDQWOH-LSDHHAIUSA-N 2 2 282.391 3.017 20 30 CGEDLP CC1(C#N)CCC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000334576091 374875613 /nfs/dbraw/zinc/87/56/13/374875613.db2.gz HESBBAFYHNTPQA-ISXOHVOVSA-N 2 2 275.440 3.065 20 30 CGEDLP CC1(C#N)CCC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000334576091 374875617 /nfs/dbraw/zinc/87/56/17/374875617.db2.gz HESBBAFYHNTPQA-ISXOHVOVSA-N 2 2 275.440 3.065 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000532514323 375951984 /nfs/dbraw/zinc/95/19/84/375951984.db2.gz MZRUWJGSVGQENZ-HNNXBMFYSA-N 2 2 288.435 3.305 20 30 CGEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000340921709 377322958 /nfs/dbraw/zinc/32/29/58/377322958.db2.gz WLRRNBDZDMSZMP-BBRMVZONSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000340921709 377322970 /nfs/dbraw/zinc/32/29/70/377322970.db2.gz WLRRNBDZDMSZMP-BBRMVZONSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000340921709 377322980 /nfs/dbraw/zinc/32/29/80/377322980.db2.gz WLRRNBDZDMSZMP-BBRMVZONSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000340921709 377322991 /nfs/dbraw/zinc/32/29/91/377322991.db2.gz WLRRNBDZDMSZMP-BBRMVZONSA-N 2 2 289.398 3.002 20 30 CGEDLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000271920013 378518196 /nfs/dbraw/zinc/51/81/96/378518196.db2.gz ZYIKPQDSXUDGRL-CQSZACIVSA-N 2 2 265.360 3.155 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000273875451 378760549 /nfs/dbraw/zinc/76/05/49/378760549.db2.gz PMEAMMZAEMWWDK-JQHSSLGASA-N 2 2 285.435 3.321 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000273875451 378760553 /nfs/dbraw/zinc/76/05/53/378760553.db2.gz PMEAMMZAEMWWDK-JQHSSLGASA-N 2 2 285.435 3.321 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000278361125 379362104 /nfs/dbraw/zinc/36/21/04/379362104.db2.gz BKYBONXDRGZXKD-DOPJRALCSA-N 2 2 283.419 3.082 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000278361125 379362114 /nfs/dbraw/zinc/36/21/14/379362114.db2.gz BKYBONXDRGZXKD-DOPJRALCSA-N 2 2 283.419 3.082 20 30 CGEDLP C=CC[N@H+](CCc1ccco1)Cc1cccc2[nH+]ccn21 ZINC000352929872 380045149 /nfs/dbraw/zinc/04/51/49/380045149.db2.gz IOPLDZWULZEJMR-UHFFFAOYSA-N 2 2 281.359 3.158 20 30 CGEDLP C=CC[N@@H+](CCc1ccco1)Cc1cccc2[nH+]ccn21 ZINC000352929872 380045154 /nfs/dbraw/zinc/04/51/54/380045154.db2.gz IOPLDZWULZEJMR-UHFFFAOYSA-N 2 2 281.359 3.158 20 30 CGEDLP C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000411688036 392984907 /nfs/dbraw/zinc/98/49/07/392984907.db2.gz HPQOXFNUZZUBON-LSDHHAIUSA-N 2 2 286.423 3.091 20 30 CGEDLP C[C@@H](CCC#N)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000411688036 392984908 /nfs/dbraw/zinc/98/49/08/392984908.db2.gz HPQOXFNUZZUBON-LSDHHAIUSA-N 2 2 286.423 3.091 20 30 CGEDLP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]([NH3+])CC(C)C ZINC000414691507 263032852 /nfs/dbraw/zinc/03/28/52/263032852.db2.gz OUCUJWBAYWYIIS-MRXNPFEDSA-N 2 2 276.424 3.057 20 30 CGEDLP C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]([NH3+])CC(C)C ZINC000414691507 263032853 /nfs/dbraw/zinc/03/28/53/263032853.db2.gz OUCUJWBAYWYIIS-MRXNPFEDSA-N 2 2 276.424 3.057 20 30 CGEDLP CC[N@H+]1C[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)[C@@H](C)C1 ZINC000340440584 263150606 /nfs/dbraw/zinc/15/06/06/263150606.db2.gz CJGMQTNWJKPCBQ-SZMVWBNQSA-N 2 2 285.435 3.351 20 30 CGEDLP CC[N@@H+]1C[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)[C@@H](C)C1 ZINC000340440584 263150607 /nfs/dbraw/zinc/15/06/07/263150607.db2.gz CJGMQTNWJKPCBQ-SZMVWBNQSA-N 2 2 285.435 3.351 20 30 CGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000294970413 263170301 /nfs/dbraw/zinc/17/03/01/263170301.db2.gz FRJWAUWJNHLNCT-NEPXVJNWSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000294970413 263170302 /nfs/dbraw/zinc/17/03/02/263170302.db2.gz FRJWAUWJNHLNCT-NEPXVJNWSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@H+](Cc2ccccc2)C1 ZINC000425346649 264018713 /nfs/dbraw/zinc/01/87/13/264018713.db2.gz BYNIRODQXHVVQD-GDAAHCPNSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000425346649 264018715 /nfs/dbraw/zinc/01/87/15/264018715.db2.gz BYNIRODQXHVVQD-GDAAHCPNSA-N 2 2 297.446 3.179 20 30 CGEDLP C=CCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000518902436 265204626 /nfs/dbraw/zinc/20/46/26/265204626.db2.gz AIDWCHJVHKYYTK-CVEARBPZSA-N 2 2 250.430 3.290 20 30 CGEDLP C=CCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000518902436 265204627 /nfs/dbraw/zinc/20/46/27/265204627.db2.gz AIDWCHJVHKYYTK-CVEARBPZSA-N 2 2 250.430 3.290 20 30 CGEDLP C=CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000518902436 265204628 /nfs/dbraw/zinc/20/46/28/265204628.db2.gz AIDWCHJVHKYYTK-CVEARBPZSA-N 2 2 250.430 3.290 20 30 CGEDLP C=CCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000518902436 265204629 /nfs/dbraw/zinc/20/46/29/265204629.db2.gz AIDWCHJVHKYYTK-CVEARBPZSA-N 2 2 250.430 3.290 20 30 CGEDLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(C#N)CCC3)CC2)C1 ZINC000418136516 267368610 /nfs/dbraw/zinc/36/86/10/267368610.db2.gz CJLUWZZENRZVIH-WBVHZDCISA-N 2 2 289.467 3.313 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000562040527 327441937 /nfs/dbraw/zinc/44/19/37/327441937.db2.gz AAYXZZFVYMZHSA-GJZGRUSLSA-N 2 2 250.430 3.051 20 30 CGEDLP C=CCOc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422910909 330160131 /nfs/dbraw/zinc/16/01/31/330160131.db2.gz RUWZQCBPGPKIIV-ROUUACIJSA-N 2 2 294.398 3.486 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C2CC(C(C)(C)C)C2)CC1 ZINC000436472236 330678093 /nfs/dbraw/zinc/67/80/93/330678093.db2.gz XSUUASDKNDBZSV-UHFFFAOYSA-N 2 2 250.430 3.051 20 30 CGEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000442651207 330778253 /nfs/dbraw/zinc/77/82/53/330778253.db2.gz PZLOSBIXHPNIMM-NXHRZFHOSA-N 2 2 283.419 3.105 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCCC[C@H]2C)CC1 ZINC000449127089 330900517 /nfs/dbraw/zinc/90/05/17/330900517.db2.gz WCCAWDGRGJWLOU-INMHGKMJSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2c3cc(F)ccc3C[C@@H]2C)CC1 ZINC000482633949 331841479 /nfs/dbraw/zinc/84/14/79/331841479.db2.gz YHUJIVVOUMHTNI-UGSOOPFHSA-N 2 2 288.410 3.299 20 30 CGEDLP N#C[C@@H]1CCC[C@@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895110687 619733964 /nfs/dbraw/zinc/73/39/64/619733964.db2.gz UGLXKGXFKRCEJX-QBPKDAKJSA-N 2 2 298.434 3.240 20 30 CGEDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1cccc(C#N)c1 ZINC000902725162 621412624 /nfs/dbraw/zinc/41/26/24/621412624.db2.gz QUYIGLONMDLNDV-SJORKVTESA-N 2 2 271.408 3.083 20 30 CGEDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1cccc(C#N)c1 ZINC000902725162 621412627 /nfs/dbraw/zinc/41/26/27/621412627.db2.gz QUYIGLONMDLNDV-SJORKVTESA-N 2 2 271.408 3.083 20 30 CGEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000921795259 625878516 /nfs/dbraw/zinc/87/85/16/625878516.db2.gz UYKLQXKHVNSFQS-MRXNPFEDSA-N 2 2 294.402 3.039 20 30 CGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1(C)CC1 ZINC000776883284 628238205 /nfs/dbraw/zinc/23/82/05/628238205.db2.gz LTWFXWVLLUWGAV-OAHLLOKOSA-N 2 2 297.446 3.301 20 30 CGEDLP CCN(C)c1ccc(C(C)=[NH+]Nc2cc[nH+]c(C)c2)cc1 ZINC000863159321 629484388 /nfs/dbraw/zinc/48/43/88/629484388.db2.gz LTWIUJWYUCYZCZ-UHFFFAOYSA-N 2 2 282.391 3.104 20 30 CGEDLP C#Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000809611681 630762249 /nfs/dbraw/zinc/76/22/49/630762249.db2.gz LISHNOCVUBJSIS-UHFFFAOYSA-N 2 2 287.366 3.143 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000815651827 631813450 /nfs/dbraw/zinc/81/34/50/631813450.db2.gz FKBWPICVRFGHHZ-HNNXBMFYSA-N 2 2 284.403 3.347 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000815651827 631813453 /nfs/dbraw/zinc/81/34/53/631813453.db2.gz FKBWPICVRFGHHZ-HNNXBMFYSA-N 2 2 284.403 3.347 20 30 CGEDLP C[NH+](C)[C@H]1C[C@@H](C/[NH+]=C\c2c(O)ccc3ccccc32)C1 ZINC000846757165 636231469 /nfs/dbraw/zinc/23/14/69/636231469.db2.gz ULKWVXFKAPABOU-UTLPQSMNSA-N 2 2 282.387 3.305 20 30 CGEDLP C=CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000883223502 636596012 /nfs/dbraw/zinc/59/60/12/636596012.db2.gz QHJMWJCRJPKHCQ-SJORKVTESA-N 2 2 295.430 3.434 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000924849671 638414070 /nfs/dbraw/zinc/41/40/70/638414070.db2.gz IAGUMRFOLXUZPI-GJZGRUSLSA-N 2 2 265.445 3.025 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000926323910 638763105 /nfs/dbraw/zinc/76/31/05/638763105.db2.gz PCCITGPOZLGRHI-KGLIPLIRSA-N 2 2 265.445 3.025 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000926323910 638763107 /nfs/dbraw/zinc/76/31/07/638763107.db2.gz PCCITGPOZLGRHI-KGLIPLIRSA-N 2 2 265.445 3.025 20 30 CGEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cc(C#N)c1 ZINC000930310923 638989996 /nfs/dbraw/zinc/98/99/96/638989996.db2.gz UCDPKOIVAFJLIG-UHFFFAOYSA-N 2 2 291.826 3.129 20 30 CGEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cc(C#N)c1 ZINC000930310923 638989999 /nfs/dbraw/zinc/98/99/99/638989999.db2.gz UCDPKOIVAFJLIG-UHFFFAOYSA-N 2 2 291.826 3.129 20 30 CGEDLP C[NH+](C)CC(C)(C)CNc1[nH+]ccc2ccc(C#N)cc21 ZINC001157941961 805905024 /nfs/dbraw/zinc/90/50/24/805905024.db2.gz IKLDIVOGETYENR-UHFFFAOYSA-N 2 2 282.391 3.106 20 30 CGEDLP C[N@H+]([C@@H]1CC[C@@H](C#N)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001254661107 806477846 /nfs/dbraw/zinc/47/78/46/806477846.db2.gz PAGXMPCWDSKJCK-IEBWSBKVSA-N 2 2 297.446 3.275 20 30 CGEDLP C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001254661107 806477850 /nfs/dbraw/zinc/47/78/50/806477850.db2.gz PAGXMPCWDSKJCK-IEBWSBKVSA-N 2 2 297.446 3.275 20 30 CGEDLP CCCCCCCC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254839608 806494839 /nfs/dbraw/zinc/49/48/39/806494839.db2.gz ULFVZDHTSWARKZ-MRXNPFEDSA-N 2 2 252.446 3.421 20 30 CGEDLP C=CCCCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000385167691 799423637 /nfs/dbraw/zinc/42/36/37/799423637.db2.gz NVKBVNZVEPTFRT-LSDHHAIUSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCCCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000385167691 799423644 /nfs/dbraw/zinc/42/36/44/799423644.db2.gz NVKBVNZVEPTFRT-LSDHHAIUSA-N 2 2 250.430 3.338 20 30 CGEDLP CCCCCCC[C@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246088915 804120725 /nfs/dbraw/zinc/12/07/25/804120725.db2.gz MGKIDWQENHKJPM-IAGOWNOFSA-N 2 2 284.488 3.340 20 30 CGEDLP CCCCCCCCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1O ZINC001246089056 804122573 /nfs/dbraw/zinc/12/25/73/804122573.db2.gz YFXJZBWKCXVKPP-BRWVUGGUSA-N 2 2 284.488 3.218 20 30 CGEDLP CCCCCCCC[C@H](CC)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246240856 804232307 /nfs/dbraw/zinc/23/23/07/804232307.db2.gz RPRUQMKMQIVCQI-JYJNAYRXSA-N 2 2 270.461 3.092 20 30 CGEDLP CCCCCCC[C@H](CC)[NH2+]CCC[N@H+](C)CCC[NH3+] ZINC001246282592 804258282 /nfs/dbraw/zinc/25/82/82/804258282.db2.gz DYLLHLWWMFLJJT-KRWDZBQOSA-N 3 2 285.520 3.386 20 30 CGEDLP CCCCCCC[C@H](CC)[NH2+]CCC[N@@H+](C)CCC[NH3+] ZINC001246282592 804258289 /nfs/dbraw/zinc/25/82/89/804258289.db2.gz DYLLHLWWMFLJJT-KRWDZBQOSA-N 3 2 285.520 3.386 20 30 CGEDLP CCCCCCC[C@H](CCC)[NH2+][C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001246297580 804264928 /nfs/dbraw/zinc/26/49/28/804264928.db2.gz WDBJFPXSAMSCDT-YESZJQIVSA-N 2 2 284.488 3.482 20 30 CGEDLP CCCCCCC[C@H](CC)[N@@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001246629298 804460870 /nfs/dbraw/zinc/46/08/70/804460870.db2.gz HZIAIHXVWFTDNX-ULQDDVLXSA-N 2 2 282.472 3.188 20 30 CGEDLP CCCCCCC[C@H](CC)[N@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001246629298 804460873 /nfs/dbraw/zinc/46/08/73/804460873.db2.gz HZIAIHXVWFTDNX-ULQDDVLXSA-N 2 2 282.472 3.188 20 30 CGEDLP CCCCCCC[C@@H](C)[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246649847 804477208 /nfs/dbraw/zinc/47/72/08/804477208.db2.gz QEDAYQBATMUZAV-SJORKVTESA-N 2 2 282.472 3.190 20 30 CGEDLP CCCCCCC[C@@H](C)[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246649847 804477212 /nfs/dbraw/zinc/47/72/12/804477212.db2.gz QEDAYQBATMUZAV-SJORKVTESA-N 2 2 282.472 3.190 20 30 CGEDLP C=CCC[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001258724692 807572108 /nfs/dbraw/zinc/57/21/08/807572108.db2.gz CJLUMHXMEKAYHO-CQSZACIVSA-N 2 2 260.381 3.280 20 30 CGEDLP C=CCc1cc(C)c[nH+]c1NCC12CC[NH+](CC1)CC2 ZINC001169794653 807710410 /nfs/dbraw/zinc/71/04/10/807710410.db2.gz UAODNNFJBQJPNQ-UHFFFAOYSA-N 2 2 271.408 3.016 20 30 CGEDLP CC(C)(C)[C@]1(C[NH2+]CCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC001205561767 813005112 /nfs/dbraw/zinc/00/51/12/813005112.db2.gz JXQNPLLHUCPSCA-IBGZPJMESA-N 2 2 299.462 3.428 20 30 CGEDLP CC(C)(C)[C@]1(C[NH2+]CCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC001205561767 813005121 /nfs/dbraw/zinc/00/51/21/813005121.db2.gz JXQNPLLHUCPSCA-IBGZPJMESA-N 2 2 299.462 3.428 20 30 CGEDLP C=CCCCCCC[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001209436881 814037718 /nfs/dbraw/zinc/03/77/18/814037718.db2.gz YOGPBMAMYKFJCK-UHFFFAOYSA-N 2 2 282.472 3.166 20 30 CGEDLP C=CCCCCCC[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001209436881 814037726 /nfs/dbraw/zinc/03/77/26/814037726.db2.gz YOGPBMAMYKFJCK-UHFFFAOYSA-N 2 2 282.472 3.166 20 30 CGEDLP CC[NH+](CC)C1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235523263 819114243 /nfs/dbraw/zinc/11/42/43/819114243.db2.gz PHNFVLFXOYJTCF-UHFFFAOYSA-N 2 2 285.435 3.059 20 30 CGEDLP C[C@@H](CCCC#N)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001172486488 928223968 /nfs/dbraw/zinc/22/39/68/928223968.db2.gz FMGUXAUYDJYYLI-WMZOPIPTSA-N 2 2 285.435 3.323 20 30 CGEDLP C[C@@H](CCCC#N)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001172486488 928223982 /nfs/dbraw/zinc/22/39/82/928223982.db2.gz FMGUXAUYDJYYLI-WMZOPIPTSA-N 2 2 285.435 3.323 20 30 CGEDLP C#CC[N@H+](CCCn1cc[nH+]c1)[C@H]1CCCc2ccccc21 ZINC001560172031 938245871 /nfs/dbraw/zinc/24/58/71/938245871.db2.gz MIEWMGOLLCVAGM-IBGZPJMESA-N 2 2 293.414 3.286 20 30 CGEDLP C#CC[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCCc2ccccc21 ZINC001560172031 938245872 /nfs/dbraw/zinc/24/58/72/938245872.db2.gz MIEWMGOLLCVAGM-IBGZPJMESA-N 2 2 293.414 3.286 20 30 CGEDLP C[C@]1(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CCC[NH2+]C1 ZINC001576502808 962463040 /nfs/dbraw/zinc/46/30/40/962463040.db2.gz HPPIIOAGPMTOFD-QYZOEREBSA-N 2 2 297.446 3.148 20 30 CGEDLP C[C@]1(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CCC[NH2+]C1 ZINC001576502808 962463053 /nfs/dbraw/zinc/46/30/53/962463053.db2.gz HPPIIOAGPMTOFD-QYZOEREBSA-N 2 2 297.446 3.148 20 30 CGEDLP C[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC(C)(C)[NH3+] ZINC001578485590 962597159 /nfs/dbraw/zinc/59/71/59/962597159.db2.gz MBJAQXRZAWGBPU-UHFFFAOYSA-N 2 2 293.414 3.394 20 30 CGEDLP C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC(C)(C)[NH3+] ZINC001578485590 962597162 /nfs/dbraw/zinc/59/71/62/962597162.db2.gz MBJAQXRZAWGBPU-UHFFFAOYSA-N 2 2 293.414 3.394 20 30 CGEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)s1 ZINC001580065819 962686189 /nfs/dbraw/zinc/68/61/89/962686189.db2.gz TWDONGHFUPPEJO-RHSMWYFYSA-N 2 2 297.427 3.203 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCCC[C@@H]2C)CC1 ZINC000651700865 398271413 /nfs/dbraw/zinc/27/14/13/398271413.db2.gz XHPQIXJNSCOWLE-GOEBONIOSA-N 2 2 250.430 3.195 20 30 CGEDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000423504698 529612136 /nfs/dbraw/zinc/61/21/36/529612136.db2.gz NSVRLRJMMMMAII-KUHUBIRLSA-N 2 2 293.414 3.471 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000405216993 346603687 /nfs/dbraw/zinc/60/36/87/346603687.db2.gz ITSUNYCBXPLDRO-RDJZCZTQSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000405216993 346603690 /nfs/dbraw/zinc/60/36/90/346603690.db2.gz ITSUNYCBXPLDRO-RDJZCZTQSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693181 347103989 /nfs/dbraw/zinc/10/39/89/347103989.db2.gz RQGDIZYOEBLVPM-BEFAXECRSA-N 2 2 297.446 3.301 20 30 CGEDLP CC[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593695408 347105002 /nfs/dbraw/zinc/10/50/02/347105002.db2.gz NROGSXBFSWABJF-HKUYNNGSSA-N 2 2 297.446 3.301 20 30 CGEDLP CC(C)[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593701917 347105601 /nfs/dbraw/zinc/10/56/01/347105601.db2.gz HTCCSFGPFGUOJD-HNNXBMFYSA-N 2 2 285.435 3.157 20 30 CGEDLP C=CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593701016 347105729 /nfs/dbraw/zinc/10/57/29/347105729.db2.gz ASOWLQYCCNZZEG-MRXNPFEDSA-N 2 2 297.446 3.467 20 30 CGEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000595052789 347270154 /nfs/dbraw/zinc/27/01/54/347270154.db2.gz ABTHLEFJMICXBI-AEFFLSMTSA-N 2 2 297.446 3.398 20 30 CGEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000595052789 347270159 /nfs/dbraw/zinc/27/01/59/347270159.db2.gz ABTHLEFJMICXBI-AEFFLSMTSA-N 2 2 297.446 3.398 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000602510044 347972887 /nfs/dbraw/zinc/97/28/87/347972887.db2.gz QPLXWACPDCBKHQ-AEFFLSMTSA-N 2 2 285.435 3.353 20 30 CGEDLP N#CC1CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000602511263 347973013 /nfs/dbraw/zinc/97/30/13/347973013.db2.gz NRGBCWVZEKKZDA-UHFFFAOYSA-N 2 2 294.402 3.103 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000602571184 347984956 /nfs/dbraw/zinc/98/49/56/347984956.db2.gz YMJNVJPXZWBSSD-JVGQSUMCSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000602571184 347984959 /nfs/dbraw/zinc/98/49/59/347984959.db2.gz YMJNVJPXZWBSSD-JVGQSUMCSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@H](C#N)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602607474 347993084 /nfs/dbraw/zinc/99/30/84/347993084.db2.gz LBCGKHVMNNVYRB-UWWQBHOKSA-N 2 2 283.419 3.104 20 30 CGEDLP C[C@H](C#N)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602607474 347993085 /nfs/dbraw/zinc/99/30/85/347993085.db2.gz LBCGKHVMNNVYRB-UWWQBHOKSA-N 2 2 283.419 3.104 20 30 CGEDLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000602735642 348021818 /nfs/dbraw/zinc/02/18/18/348021818.db2.gz WDOUUWIDHJLEHQ-UHFFFAOYSA-N 2 2 283.419 3.009 20 30 CGEDLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000602967567 348047626 /nfs/dbraw/zinc/04/76/26/348047626.db2.gz LPQMQGNPQDHEBD-UHFFFAOYSA-N 2 2 289.398 3.004 20 30 CGEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)CCC2 ZINC000359900415 233391556 /nfs/dbraw/zinc/39/15/56/233391556.db2.gz PTYIVGUGRVWTDD-PBHICJAKSA-N 2 2 294.402 3.291 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCC)c2cc(C)ccn2)CC1 ZINC000631579068 351075205 /nfs/dbraw/zinc/07/52/05/351075205.db2.gz BUXWLPPUJVZJLN-KRWDZBQOSA-N 2 2 287.451 3.471 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCOC(C)(C)C1)C(C)C ZINC000634678053 351563424 /nfs/dbraw/zinc/56/34/24/351563424.db2.gz HIGZRNQNDWNBTQ-IAGOWNOFSA-N 2 2 294.483 3.232 20 30 CGEDLP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(C#N)cc1F ZINC000423205422 372029190 /nfs/dbraw/zinc/02/91/90/372029190.db2.gz VMUWNRNUEFBZMP-ZDUSSCGKSA-N 2 2 289.398 3.400 20 30 CGEDLP C[C@H]1CC[N@H+](CCCC(C)(C)C#N)C[C@@H]1n1cc[nH+]c1 ZINC000159008501 372099239 /nfs/dbraw/zinc/09/92/39/372099239.db2.gz XZBFRKTXTFMZKG-GJZGRUSLSA-N 2 2 274.412 3.096 20 30 CGEDLP C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@@H]1n1cc[nH+]c1 ZINC000159008501 372099246 /nfs/dbraw/zinc/09/92/46/372099246.db2.gz XZBFRKTXTFMZKG-GJZGRUSLSA-N 2 2 274.412 3.096 20 30 CGEDLP N#C[C@@H]1CC[C@@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000442657874 373061971 /nfs/dbraw/zinc/06/19/71/373061971.db2.gz WBARFZYCHDBRJU-NXHRZFHOSA-N 2 2 283.419 3.105 20 30 CGEDLP N#C[C@H]1CCC[C@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000185752577 374729479 /nfs/dbraw/zinc/72/94/79/374729479.db2.gz JOVBJMINIJTDKI-WDSOQIARSA-N 2 2 297.446 3.495 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C[C@H]1CCSC1)C(C)C ZINC000486940310 375199610 /nfs/dbraw/zinc/19/96/10/375199610.db2.gz KOUUNEKLJDMDLD-HZPDHXFCSA-N 2 2 282.497 3.028 20 30 CGEDLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C[C@@H](C)C#N ZINC000191976409 375686571 /nfs/dbraw/zinc/68/65/71/375686571.db2.gz NYYZIGVPPVWKAE-AWEZNQCLSA-N 2 2 282.391 3.162 20 30 CGEDLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C[C@@H](C)C#N ZINC000191976409 375686574 /nfs/dbraw/zinc/68/65/74/375686574.db2.gz NYYZIGVPPVWKAE-AWEZNQCLSA-N 2 2 282.391 3.162 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H](C)[C@H]1CCCOC1)C(C)C ZINC000507518380 375711952 /nfs/dbraw/zinc/71/19/52/375711952.db2.gz CVHDHKQDAOEFHX-FGTMMUONSA-N 2 2 294.483 3.090 20 30 CGEDLP C=CCCCC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000556257532 376861644 /nfs/dbraw/zinc/86/16/44/376861644.db2.gz GSSULNZXRFIQQF-IRXDYDNUSA-N 2 2 258.409 3.378 20 30 CGEDLP C=CCCCC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000556257532 376861649 /nfs/dbraw/zinc/86/16/49/376861649.db2.gz GSSULNZXRFIQQF-IRXDYDNUSA-N 2 2 258.409 3.378 20 30 CGEDLP C=CCCCCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373277810 379253463 /nfs/dbraw/zinc/25/34/63/379253463.db2.gz IRPYGGGQRVFPSE-OAHLLOKOSA-N 2 2 261.413 3.346 20 30 CGEDLP C=CCCCCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373277810 379253476 /nfs/dbraw/zinc/25/34/76/379253476.db2.gz IRPYGGGQRVFPSE-OAHLLOKOSA-N 2 2 261.413 3.346 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000280980078 379813045 /nfs/dbraw/zinc/81/30/45/379813045.db2.gz LEJAYULHLIAMIX-GOSISDBHSA-N 2 2 286.419 3.010 20 30 CGEDLP C=CCOc1ccc(C[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000352921871 380039109 /nfs/dbraw/zinc/03/91/09/380039109.db2.gz LUEBMYNLPLBIRZ-UHFFFAOYSA-N 2 2 293.370 3.189 20 30 CGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000354204563 380361774 /nfs/dbraw/zinc/36/17/74/380361774.db2.gz FPJLZPRTKJRDSC-CZUORRHYSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000354204563 380361782 /nfs/dbraw/zinc/36/17/82/380361782.db2.gz FPJLZPRTKJRDSC-CZUORRHYSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000354204563 380361787 /nfs/dbraw/zinc/36/17/87/380361787.db2.gz FPJLZPRTKJRDSC-CZUORRHYSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000354204563 380361793 /nfs/dbraw/zinc/36/17/93/380361793.db2.gz FPJLZPRTKJRDSC-CZUORRHYSA-N 2 2 289.398 3.002 20 30 CGEDLP Cc1ccc(CCC[NH2+]Cc2ccc(C#N)s2)c[nH+]1 ZINC000421355498 380892819 /nfs/dbraw/zinc/89/28/19/380892819.db2.gz ZNKOAMUYYMYVRT-UHFFFAOYSA-N 2 2 271.389 3.046 20 30 CGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000353767003 220316445 /nfs/dbraw/zinc/31/64/45/220316445.db2.gz JVBYWLAIPVJTRG-CZUORRHYSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000353767003 220316449 /nfs/dbraw/zinc/31/64/49/220316449.db2.gz JVBYWLAIPVJTRG-CZUORRHYSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000353767003 220316452 /nfs/dbraw/zinc/31/64/52/220316452.db2.gz JVBYWLAIPVJTRG-CZUORRHYSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000353767003 220316456 /nfs/dbraw/zinc/31/64/56/220316456.db2.gz JVBYWLAIPVJTRG-CZUORRHYSA-N 2 2 289.398 3.002 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2nc(C)sc2C)CC1 ZINC000676490255 543399562 /nfs/dbraw/zinc/39/95/62/543399562.db2.gz PBRYLUJQUWCAKU-LLVKDONJSA-N 2 2 279.453 3.061 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657530722 419299400 /nfs/dbraw/zinc/29/94/00/419299400.db2.gz RXJYFNARERAHHI-HIFRSBDPSA-N 2 2 259.397 3.054 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000657872663 419399362 /nfs/dbraw/zinc/39/93/62/419399362.db2.gz OTAWCPJVADWVTB-FMKPAKJESA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000657872663 419399365 /nfs/dbraw/zinc/39/93/65/419399365.db2.gz OTAWCPJVADWVTB-FMKPAKJESA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337993161 262496497 /nfs/dbraw/zinc/49/64/97/262496497.db2.gz RZBUDYGNQTVONC-GOEBONIOSA-N 2 2 268.420 3.145 20 30 CGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000343279881 264333043 /nfs/dbraw/zinc/33/30/43/264333043.db2.gz PMCKPQWSWXONMD-HNNXBMFYSA-N 2 2 294.402 3.113 20 30 CGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000343279881 264333046 /nfs/dbraw/zinc/33/30/46/264333046.db2.gz PMCKPQWSWXONMD-HNNXBMFYSA-N 2 2 294.402 3.113 20 30 CGEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000528010834 270151039 /nfs/dbraw/zinc/15/10/39/270151039.db2.gz KBPXNILNRIQHMY-KDOFPFPSSA-N 2 2 283.419 3.226 20 30 CGEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000528010834 270151040 /nfs/dbraw/zinc/15/10/40/270151040.db2.gz KBPXNILNRIQHMY-KDOFPFPSSA-N 2 2 283.419 3.226 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000362526896 267001075 /nfs/dbraw/zinc/00/10/75/267001075.db2.gz WKBOYDJQJJIHSY-UHFFFAOYSA-N 2 2 282.790 3.219 20 30 CGEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000528015890 270151502 /nfs/dbraw/zinc/15/15/02/270151502.db2.gz ZPRDESULZVZJIL-KDOFPFPSSA-N 2 2 283.419 3.226 20 30 CGEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000528015890 270151503 /nfs/dbraw/zinc/15/15/03/270151503.db2.gz ZPRDESULZVZJIL-KDOFPFPSSA-N 2 2 283.419 3.226 20 30 CGEDLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C#N)c(F)c1 ZINC000540707064 288667664 /nfs/dbraw/zinc/66/76/64/288667664.db2.gz OHIYUPRVNAQECN-ZDUSSCGKSA-N 2 2 286.354 3.025 20 30 CGEDLP C[C@H](C#N)C[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411232919 328080405 /nfs/dbraw/zinc/08/04/05/328080405.db2.gz ZRUVKOQRBVUBMX-MRXNPFEDSA-N 2 2 285.435 3.264 20 30 CGEDLP C[C@H](C#N)C[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411232919 328080406 /nfs/dbraw/zinc/08/04/06/328080406.db2.gz ZRUVKOQRBVUBMX-MRXNPFEDSA-N 2 2 285.435 3.264 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC(C)C)c2ccccn2)CC1 ZINC000177905296 329190294 /nfs/dbraw/zinc/19/02/94/329190294.db2.gz DPSIYVDKANGBAQ-SFHVURJKSA-N 2 2 287.451 3.409 20 30 CGEDLP CC[C@H](CC#N)[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000184086590 329255926 /nfs/dbraw/zinc/25/59/26/329255926.db2.gz HOWXPJURDPANFO-QGZVFWFLSA-N 2 2 287.451 3.426 20 30 CGEDLP CC[C@H](CC#N)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000184086590 329255927 /nfs/dbraw/zinc/25/59/27/329255927.db2.gz HOWXPJURDPANFO-QGZVFWFLSA-N 2 2 287.451 3.426 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cn2)CC1 ZINC000274984451 330108596 /nfs/dbraw/zinc/10/85/96/330108596.db2.gz ZRXMMZPZRZSULO-GFCCVEGCSA-N 2 2 279.815 3.036 20 30 CGEDLP C=CC[C@H](C)[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422983755 330162735 /nfs/dbraw/zinc/16/27/35/330162735.db2.gz UVPSPRSSYWBJIE-XKQJLSEDSA-N 2 2 274.408 3.043 20 30 CGEDLP C=C(CC)C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423167764 330174145 /nfs/dbraw/zinc/17/41/45/330174145.db2.gz XCWAIXIJMLVDNZ-IRXDYDNUSA-N 2 2 274.408 3.044 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423415301 330197557 /nfs/dbraw/zinc/19/75/57/330197557.db2.gz DKTDVTGSPDNFSJ-GRDNDAEWSA-N 2 2 258.409 3.064 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527953963 330294558 /nfs/dbraw/zinc/29/45/58/330294558.db2.gz XVBAJECLYQRQAC-HLLBOEOZSA-N 2 2 275.440 3.065 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527953963 330294559 /nfs/dbraw/zinc/29/45/59/330294559.db2.gz XVBAJECLYQRQAC-HLLBOEOZSA-N 2 2 275.440 3.065 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](OCC(C)C)C2(C)C)CC1 ZINC000181716497 335780102 /nfs/dbraw/zinc/78/01/02/335780102.db2.gz FQLBYFNNEBNOLX-IRXDYDNUSA-N 2 2 294.483 3.066 20 30 CGEDLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(C#N)cc1F ZINC000423266473 533996109 /nfs/dbraw/zinc/99/61/09/533996109.db2.gz SCXRLDMAGYDMOQ-YVEFUNNKSA-N 2 2 289.398 3.256 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(SC)s2)CC1 ZINC000352855644 526450198 /nfs/dbraw/zinc/45/01/98/526450198.db2.gz UIZBLZCEXNQVCB-UHFFFAOYSA-N 2 2 282.478 3.210 20 30 CGEDLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1csc(C#N)c1 ZINC000895507842 619838911 /nfs/dbraw/zinc/83/89/11/619838911.db2.gz ABQZZHJAZZSQEC-CZUORRHYSA-N 2 2 291.464 3.172 20 30 CGEDLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1csc(C#N)c1 ZINC000895507842 619838912 /nfs/dbraw/zinc/83/89/12/619838912.db2.gz ABQZZHJAZZSQEC-CZUORRHYSA-N 2 2 291.464 3.172 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000924626594 620545297 /nfs/dbraw/zinc/54/52/97/620545297.db2.gz WNEVMPFAKSTEFW-OAHLLOKOSA-N 2 2 296.418 3.349 20 30 CGEDLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000903047549 621554671 /nfs/dbraw/zinc/55/46/71/621554671.db2.gz PQTVFYJLHNUMLW-DLBZAZTESA-N 2 2 285.435 3.472 20 30 CGEDLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000903047549 621554678 /nfs/dbraw/zinc/55/46/78/621554678.db2.gz PQTVFYJLHNUMLW-DLBZAZTESA-N 2 2 285.435 3.472 20 30 CGEDLP N#Cc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cs1 ZINC000921817364 625886304 /nfs/dbraw/zinc/88/63/04/625886304.db2.gz SPDOPLRVTQSBCA-UHFFFAOYSA-N 2 2 289.448 3.116 20 30 CGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1(C)CC1 ZINC000776883283 628238309 /nfs/dbraw/zinc/23/83/09/628238309.db2.gz LTWFXWVLLUWGAV-HNNXBMFYSA-N 2 2 297.446 3.301 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000815651828 631814417 /nfs/dbraw/zinc/81/44/17/631814417.db2.gz FKBWPICVRFGHHZ-OAHLLOKOSA-N 2 2 284.403 3.347 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000815651828 631814419 /nfs/dbraw/zinc/81/44/19/631814419.db2.gz FKBWPICVRFGHHZ-OAHLLOKOSA-N 2 2 284.403 3.347 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000866561956 633194224 /nfs/dbraw/zinc/19/42/24/633194224.db2.gz MQPMZTOZVZXNPH-JFIYKMOQSA-N 2 2 289.467 3.455 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000866561956 633194226 /nfs/dbraw/zinc/19/42/26/633194226.db2.gz MQPMZTOZVZXNPH-JFIYKMOQSA-N 2 2 289.467 3.455 20 30 CGEDLP C(#Cc1ccccc1)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000840898619 635078134 /nfs/dbraw/zinc/07/81/34/635078134.db2.gz IFIZHSHEGSARHF-UHFFFAOYSA-N 2 2 296.458 3.425 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474219 636008364 /nfs/dbraw/zinc/00/83/64/636008364.db2.gz UXYLOFRFGRCBEJ-HNNXBMFYSA-N 2 2 283.419 3.179 20 30 CGEDLP C=CCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569136 636022797 /nfs/dbraw/zinc/02/27/97/636022797.db2.gz IWAXLUPDLQAWSP-INIZCTEOSA-N 2 2 255.365 3.180 20 30 CGEDLP C=CCCCC[C@@H](C)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925751277 638596038 /nfs/dbraw/zinc/59/60/38/638596038.db2.gz YLQXTTBWYXPZHT-GFCCVEGCSA-N 2 2 279.453 3.095 20 30 CGEDLP C=CCCCC[C@@H](C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925751277 638596045 /nfs/dbraw/zinc/59/60/45/638596045.db2.gz YLQXTTBWYXPZHT-GFCCVEGCSA-N 2 2 279.453 3.095 20 30 CGEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2Cc1ccccc1C(C)(C)C#N ZINC000931724733 639196862 /nfs/dbraw/zinc/19/68/62/639196862.db2.gz HYWGSCCPUOMVHT-DLBZAZTESA-N 2 2 297.446 3.156 20 30 CGEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2Cc1ccccc1C(C)(C)C#N ZINC000931724733 639196864 /nfs/dbraw/zinc/19/68/64/639196864.db2.gz HYWGSCCPUOMVHT-DLBZAZTESA-N 2 2 297.446 3.156 20 30 CGEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2Cc1ccccc1C(C)(C)C#N ZINC000931724733 639196868 /nfs/dbraw/zinc/19/68/68/639196868.db2.gz HYWGSCCPUOMVHT-DLBZAZTESA-N 2 2 297.446 3.156 20 30 CGEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2Cc1ccccc1C(C)(C)C#N ZINC000931724733 639196874 /nfs/dbraw/zinc/19/68/74/639196874.db2.gz HYWGSCCPUOMVHT-DLBZAZTESA-N 2 2 297.446 3.156 20 30 CGEDLP CC[C@@H](CC#N)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001255173407 806567259 /nfs/dbraw/zinc/56/72/59/806567259.db2.gz AANMFQASNZNLRS-HRCADAONSA-N 2 2 263.429 3.017 20 30 CGEDLP CC[C@@H](CC#N)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001255173407 806567267 /nfs/dbraw/zinc/56/72/67/806567267.db2.gz AANMFQASNZNLRS-HRCADAONSA-N 2 2 263.429 3.017 20 30 CGEDLP CC[C@@H](CC#N)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001255173407 806567275 /nfs/dbraw/zinc/56/72/75/806567275.db2.gz AANMFQASNZNLRS-HRCADAONSA-N 2 2 263.429 3.017 20 30 CGEDLP CC[C@@H](CC#N)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001255173407 806567281 /nfs/dbraw/zinc/56/72/81/806567281.db2.gz AANMFQASNZNLRS-HRCADAONSA-N 2 2 263.429 3.017 20 30 CGEDLP Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1C#N ZINC001244494559 803402580 /nfs/dbraw/zinc/40/25/80/803402580.db2.gz ZLVMWAFYZDGRMN-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1C#N ZINC001244494559 803402583 /nfs/dbraw/zinc/40/25/83/803402583.db2.gz ZLVMWAFYZDGRMN-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1c(C#N)cccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244817517 803535702 /nfs/dbraw/zinc/53/57/02/803535702.db2.gz FWGWUFCVXQFQJY-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1c(C#N)cccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244817517 803535705 /nfs/dbraw/zinc/53/57/05/803535705.db2.gz FWGWUFCVXQFQJY-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP C=CCCCCCC[C@H](O)C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC001245994792 804095165 /nfs/dbraw/zinc/09/51/65/804095165.db2.gz PRLOKHUGBBSSSW-ZWKOTPCHSA-N 2 2 290.451 3.164 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246022569 804099532 /nfs/dbraw/zinc/09/95/32/804099532.db2.gz KZJRZZXGUQPPJC-ROUUACIJSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246022569 804099541 /nfs/dbraw/zinc/09/95/41/804099541.db2.gz KZJRZZXGUQPPJC-ROUUACIJSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCC[C@@H](CC)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC001246092260 804123466 /nfs/dbraw/zinc/12/34/66/804123466.db2.gz HJDXRMQDADMPFV-HZPDHXFCSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCCC[C@@H](CC)[NH2+][C@@H]([NH3+])CCC[NH3+] ZINC001246300393 804266001 /nfs/dbraw/zinc/26/60/01/804266001.db2.gz NOXBJQYFOPLMFV-HUUCEWRRSA-N 3 2 257.466 3.129 20 30 CGEDLP CCCCCCCC[C@@H](CC)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246551166 804401043 /nfs/dbraw/zinc/40/10/43/804401043.db2.gz PFOCOLVSGVLFMD-SJORKVTESA-N 2 2 284.488 3.436 20 30 CGEDLP CCCCCCCC[C@@H](CC)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246551166 804401048 /nfs/dbraw/zinc/40/10/48/804401048.db2.gz PFOCOLVSGVLFMD-SJORKVTESA-N 2 2 284.488 3.436 20 30 CGEDLP C=CCC[C@@H](C)[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246980025 804627032 /nfs/dbraw/zinc/62/70/32/804627032.db2.gz QDKZLHBPACJRRW-GDBMZVCRSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@@H](C)[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246980025 804627034 /nfs/dbraw/zinc/62/70/34/804627034.db2.gz QDKZLHBPACJRRW-GDBMZVCRSA-N 2 2 250.430 3.338 20 30 CGEDLP C=C1C[C@@H]2CC([N@H+](C)C3CC[NH+](C)CC3)C[C@H](C1)C2 ZINC001257889890 807239755 /nfs/dbraw/zinc/23/97/55/807239755.db2.gz MURJKSOZCCMOML-FKEKPDDDSA-N 2 2 262.441 3.147 20 30 CGEDLP C=C1C[C@@H]2CC([N@@H+](C)C3CC[NH+](C)CC3)C[C@H](C1)C2 ZINC001257889890 807239759 /nfs/dbraw/zinc/23/97/59/807239759.db2.gz MURJKSOZCCMOML-FKEKPDDDSA-N 2 2 262.441 3.147 20 30 CGEDLP C[C@@H](CCCC#N)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001172478938 808343261 /nfs/dbraw/zinc/34/32/61/808343261.db2.gz IXQKWTJLRHJKOS-WMZOPIPTSA-N 2 2 285.435 3.495 20 30 CGEDLP C=CCOc1cccc(C[N@@H+](CC)C2CC[NH+](C)CC2)c1 ZINC001231623606 818138617 /nfs/dbraw/zinc/13/86/17/818138617.db2.gz LSRMSIYIXGFYEL-UHFFFAOYSA-N 2 2 288.435 3.168 20 30 CGEDLP C=CCOc1cccc(C[N@H+](CC)C2CC[NH+](C)CC2)c1 ZINC001231623606 818138623 /nfs/dbraw/zinc/13/86/23/818138623.db2.gz LSRMSIYIXGFYEL-UHFFFAOYSA-N 2 2 288.435 3.168 20 30 CGEDLP CCc1cc(C#N)ccc1C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235178099 819026848 /nfs/dbraw/zinc/02/68/48/819026848.db2.gz UYRNKCDKMACZJV-LJQANCHMSA-N 2 2 297.446 3.229 20 30 CGEDLP CCc1cc(C#N)ccc1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235178099 819026853 /nfs/dbraw/zinc/02/68/53/819026853.db2.gz UYRNKCDKMACZJV-LJQANCHMSA-N 2 2 297.446 3.229 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001237379384 819738840 /nfs/dbraw/zinc/73/88/40/819738840.db2.gz BCFXXISZUYQEEJ-FGTMMUONSA-N 2 2 274.452 3.363 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001237379384 819738842 /nfs/dbraw/zinc/73/88/42/819738842.db2.gz BCFXXISZUYQEEJ-FGTMMUONSA-N 2 2 274.452 3.363 20 30 CGEDLP Cc1cc(C#N)cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242479625 823007218 /nfs/dbraw/zinc/00/72/18/823007218.db2.gz AVNGBWOUHFGYCI-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1cc(C#N)cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242479625 823007221 /nfs/dbraw/zinc/00/72/21/823007221.db2.gz AVNGBWOUHFGYCI-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001461811859 937598754 /nfs/dbraw/zinc/59/87/54/937598754.db2.gz QKISVGYMCISXET-LSDHHAIUSA-N 2 2 250.430 3.053 20 30 CGEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001461811859 937598756 /nfs/dbraw/zinc/59/87/56/937598756.db2.gz QKISVGYMCISXET-LSDHHAIUSA-N 2 2 250.430 3.053 20 30 CGEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001308483712 933117122 /nfs/dbraw/zinc/11/71/22/933117122.db2.gz CWKYMNDAEIBGGL-SFHVURJKSA-N 2 2 297.446 3.282 20 30 CGEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001308483712 933117125 /nfs/dbraw/zinc/11/71/25/933117125.db2.gz CWKYMNDAEIBGGL-SFHVURJKSA-N 2 2 297.446 3.282 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CC)C1 ZINC001473998990 937834859 /nfs/dbraw/zinc/83/48/59/937834859.db2.gz HLFWNTHQCLZZEM-BZUAXINKSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CC)C1 ZINC001473998990 937834861 /nfs/dbraw/zinc/83/48/61/937834861.db2.gz HLFWNTHQCLZZEM-BZUAXINKSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001474136578 937841896 /nfs/dbraw/zinc/84/18/96/937841896.db2.gz JHSPMOJSJPVIPC-OWCLPIDISA-N 2 2 264.457 3.441 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001474136578 937841898 /nfs/dbraw/zinc/84/18/98/937841898.db2.gz JHSPMOJSJPVIPC-OWCLPIDISA-N 2 2 264.457 3.441 20 30 CGEDLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000405216989 346603568 /nfs/dbraw/zinc/60/35/68/346603568.db2.gz ITSUNYCBXPLDRO-DOTOQJQBSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000405216989 346603573 /nfs/dbraw/zinc/60/35/73/346603573.db2.gz ITSUNYCBXPLDRO-DOTOQJQBSA-N 2 2 285.435 3.179 20 30 CGEDLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000586795739 346736906 /nfs/dbraw/zinc/73/69/06/346736906.db2.gz WOPSLHIFSTUMQQ-PKOBYXMFSA-N 2 2 297.446 3.400 20 30 CGEDLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000586795739 346736911 /nfs/dbraw/zinc/73/69/11/346736911.db2.gz WOPSLHIFSTUMQQ-PKOBYXMFSA-N 2 2 297.446 3.400 20 30 CGEDLP Cc1c[nH+]ccc1CC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594035454 347141080 /nfs/dbraw/zinc/14/10/80/347141080.db2.gz NWFNZAJTHJJXRM-UHFFFAOYSA-N 2 2 291.398 3.473 20 30 CGEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[N@@H+]1C1CC1 ZINC000594497166 347179042 /nfs/dbraw/zinc/17/90/42/347179042.db2.gz DDOOIAWKKYYRPX-YOEHRIQHSA-N 2 2 297.446 3.203 20 30 CGEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[N@H+]1C1CC1 ZINC000594497166 347179047 /nfs/dbraw/zinc/17/90/47/347179047.db2.gz DDOOIAWKKYYRPX-YOEHRIQHSA-N 2 2 297.446 3.203 20 30 CGEDLP CC1(C#N)CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000594518652 347187604 /nfs/dbraw/zinc/18/76/04/347187604.db2.gz IRNBADZXSGNGBO-VUROTCPHSA-N 2 2 275.440 3.065 20 30 CGEDLP CC1(C#N)CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000594518652 347187611 /nfs/dbraw/zinc/18/76/11/347187611.db2.gz IRNBADZXSGNGBO-VUROTCPHSA-N 2 2 275.440 3.065 20 30 CGEDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc(C#N)c1 ZINC000594724239 347213592 /nfs/dbraw/zinc/21/35/92/347213592.db2.gz QFBJSQMWGKXORF-XJKSGUPXSA-N 2 2 271.408 3.082 20 30 CGEDLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cccc(C#N)c1 ZINC000594724239 347213594 /nfs/dbraw/zinc/21/35/94/347213594.db2.gz QFBJSQMWGKXORF-XJKSGUPXSA-N 2 2 271.408 3.082 20 30 CGEDLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595057320 347272465 /nfs/dbraw/zinc/27/24/65/347272465.db2.gz XBAVYUVINYHXAM-DLBZAZTESA-N 2 2 285.435 3.472 20 30 CGEDLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595057320 347272466 /nfs/dbraw/zinc/27/24/66/347272466.db2.gz XBAVYUVINYHXAM-DLBZAZTESA-N 2 2 285.435 3.472 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000602504684 347971556 /nfs/dbraw/zinc/97/15/56/347971556.db2.gz BLFMCIKWDRRWDH-INIZCTEOSA-N 2 2 299.462 3.353 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000602504684 347971560 /nfs/dbraw/zinc/97/15/60/347971560.db2.gz BLFMCIKWDRRWDH-INIZCTEOSA-N 2 2 299.462 3.353 20 30 CGEDLP CC[C@@H](C[NH2+]C[C@@H](C)CCC#N)[N@@H+]1CCc2ccccc2C1 ZINC000602511507 347972689 /nfs/dbraw/zinc/97/26/89/347972689.db2.gz NNILRNAMXDTTGA-LPHOPBHVSA-N 2 2 299.462 3.353 20 30 CGEDLP CC[C@@H](C[NH2+]C[C@@H](C)CCC#N)[N@H+]1CCc2ccccc2C1 ZINC000602511507 347972696 /nfs/dbraw/zinc/97/26/96/347972696.db2.gz NNILRNAMXDTTGA-LPHOPBHVSA-N 2 2 299.462 3.353 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000602564468 347983438 /nfs/dbraw/zinc/98/34/38/347983438.db2.gz GRPSMHQLBXPKET-RDJZCZTQSA-N 2 2 296.418 3.233 20 30 CGEDLP CC(C)(C#N)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602617727 347994809 /nfs/dbraw/zinc/99/48/09/347994809.db2.gz ZRODAYAVODCLLP-AEFFLSMTSA-N 2 2 297.446 3.494 20 30 CGEDLP CC(C)(C#N)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602617727 347994810 /nfs/dbraw/zinc/99/48/10/347994810.db2.gz ZRODAYAVODCLLP-AEFFLSMTSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000602665183 348004313 /nfs/dbraw/zinc/00/43/13/348004313.db2.gz SSACBXRUKGLSEF-NUJGCVRESA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000602665183 348004316 /nfs/dbraw/zinc/00/43/16/348004316.db2.gz SSACBXRUKGLSEF-NUJGCVRESA-N 2 2 285.435 3.179 20 30 CGEDLP CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611438165 348452310 /nfs/dbraw/zinc/45/23/10/348452310.db2.gz QTTYOWXDRHJYOI-HNNXBMFYSA-N 2 2 285.435 3.301 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)C(C)C ZINC000634678052 351563471 /nfs/dbraw/zinc/56/34/71/351563471.db2.gz HIGZRNQNDWNBTQ-DLBZAZTESA-N 2 2 294.483 3.232 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OC)CC1 ZINC000152982114 188057164 /nfs/dbraw/zinc/05/71/64/188057164.db2.gz USEYOTBJKIHZRI-HNNXBMFYSA-N 2 2 288.435 3.386 20 30 CGEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000097139211 370231051 /nfs/dbraw/zinc/23/10/51/370231051.db2.gz NQJXXUDGFMFLDS-HNNXBMFYSA-N 2 2 288.439 3.005 20 30 CGEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000097139211 370231054 /nfs/dbraw/zinc/23/10/54/370231054.db2.gz NQJXXUDGFMFLDS-HNNXBMFYSA-N 2 2 288.439 3.005 20 30 CGEDLP Cc1cccn2c(C[NH2+]CC3CCC(C#N)CC3)c[nH+]c12 ZINC000441363240 373003702 /nfs/dbraw/zinc/00/37/02/373003702.db2.gz WDBMASNMUOGVHW-UHFFFAOYSA-N 2 2 282.391 3.062 20 30 CGEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000442763786 373076001 /nfs/dbraw/zinc/07/60/01/373076001.db2.gz GWHOWQDXGJITIR-CEXWTWQISA-N 2 2 297.446 3.323 20 30 CGEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000442763786 373076006 /nfs/dbraw/zinc/07/60/06/373076006.db2.gz GWHOWQDXGJITIR-CEXWTWQISA-N 2 2 297.446 3.323 20 30 CGEDLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCC1 ZINC000449471702 373755575 /nfs/dbraw/zinc/75/55/75/373755575.db2.gz DGLLRPJXKODYOK-ZWKOTPCHSA-N 2 2 297.446 3.323 20 30 CGEDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCC1 ZINC000449471702 373755579 /nfs/dbraw/zinc/75/55/79/373755579.db2.gz DGLLRPJXKODYOK-ZWKOTPCHSA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@@H](CC1CC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181743832 374164571 /nfs/dbraw/zinc/16/45/71/374164571.db2.gz CLJNGGNATRRKLS-HNNXBMFYSA-N 2 2 297.446 3.301 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000185384494 374653825 /nfs/dbraw/zinc/65/38/25/374653825.db2.gz XGGYWYKHDAZAHR-CYBMUJFWSA-N 2 2 292.398 3.222 20 30 CGEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248852133 377412707 /nfs/dbraw/zinc/41/27/07/377412707.db2.gz OWUVKBRPSUCPIZ-NJAFHUGGSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248852133 377412713 /nfs/dbraw/zinc/41/27/13/377412713.db2.gz OWUVKBRPSUCPIZ-NJAFHUGGSA-N 2 2 285.435 3.179 20 30 CGEDLP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000269414212 378219249 /nfs/dbraw/zinc/21/92/49/378219249.db2.gz JYISQVWMBSRMOD-INIZCTEOSA-N 2 2 291.414 3.153 20 30 CGEDLP C=CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000370814342 379074019 /nfs/dbraw/zinc/07/40/19/379074019.db2.gz JVKYGHDPAFNWMF-INIZCTEOSA-N 2 2 282.391 3.102 20 30 CGEDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccc(C#N)cc1 ZINC000278319461 379345179 /nfs/dbraw/zinc/34/51/79/379345179.db2.gz UWKSQYISONPMHS-SJORKVTESA-N 2 2 271.408 3.083 20 30 CGEDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccc(C#N)cc1 ZINC000278319461 379345190 /nfs/dbraw/zinc/34/51/90/379345190.db2.gz UWKSQYISONPMHS-SJORKVTESA-N 2 2 271.408 3.083 20 30 CGEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(C#N)ccc1F ZINC000266578669 190268260 /nfs/dbraw/zinc/26/82/60/190268260.db2.gz HEFVQMRUTAATIF-INIZCTEOSA-N 2 2 289.398 3.004 20 30 CGEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(C#N)ccc1F ZINC000266578669 190268261 /nfs/dbraw/zinc/26/82/61/190268261.db2.gz HEFVQMRUTAATIF-INIZCTEOSA-N 2 2 289.398 3.004 20 30 CGEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(C#N)ccc1F ZINC000266578669 190268262 /nfs/dbraw/zinc/26/82/62/190268262.db2.gz HEFVQMRUTAATIF-INIZCTEOSA-N 2 2 289.398 3.004 20 30 CGEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc(C#N)ccc1F ZINC000266578669 190268263 /nfs/dbraw/zinc/26/82/63/190268263.db2.gz HEFVQMRUTAATIF-INIZCTEOSA-N 2 2 289.398 3.004 20 30 CGEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1(C#N)CCCCC1 ZINC000411313778 380139584 /nfs/dbraw/zinc/13/95/84/380139584.db2.gz YFFKYHUYUIFUHJ-SJORKVTESA-N 2 2 289.467 3.409 20 30 CGEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1(C#N)CCCCC1 ZINC000411313778 380139587 /nfs/dbraw/zinc/13/95/87/380139587.db2.gz YFFKYHUYUIFUHJ-SJORKVTESA-N 2 2 289.467 3.409 20 30 CGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1(C#N)CCCCC1 ZINC000411313778 380139591 /nfs/dbraw/zinc/13/95/91/380139591.db2.gz YFFKYHUYUIFUHJ-SJORKVTESA-N 2 2 289.467 3.409 20 30 CGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1(C#N)CCCCC1 ZINC000411313778 380139597 /nfs/dbraw/zinc/13/95/97/380139597.db2.gz YFFKYHUYUIFUHJ-SJORKVTESA-N 2 2 289.467 3.409 20 30 CGEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)CCC2 ZINC000336212711 392839924 /nfs/dbraw/zinc/83/99/24/392839924.db2.gz GXOGSXUWDWKQIK-HPUBIQBYSA-N 2 2 286.423 3.131 20 30 CGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000349377548 393146817 /nfs/dbraw/zinc/14/68/17/393146817.db2.gz JKZJCILCUIJNQO-FZCLSBEQSA-N 2 2 283.419 3.104 20 30 CGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000349377548 393146823 /nfs/dbraw/zinc/14/68/23/393146823.db2.gz JKZJCILCUIJNQO-FZCLSBEQSA-N 2 2 283.419 3.104 20 30 CGEDLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000359533312 393550537 /nfs/dbraw/zinc/55/05/37/393550537.db2.gz YKCCBUGWVJNTBF-CYBMUJFWSA-N 2 2 280.375 3.135 20 30 CGEDLP C=CCC1([NH2+]CCCc2ccc(C)[nH+]c2)CCOCC1 ZINC000668551383 543025166 /nfs/dbraw/zinc/02/51/66/543025166.db2.gz LWBWJHKVERKWAA-UHFFFAOYSA-N 2 2 274.408 3.038 20 30 CGEDLP C=C[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000675933956 543375443 /nfs/dbraw/zinc/37/54/43/543375443.db2.gz YBFIXYZYGLXZRD-ZDUSSCGKSA-N 2 2 278.827 3.469 20 30 CGEDLP C=CCOCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000684204849 543971691 /nfs/dbraw/zinc/97/16/91/543971691.db2.gz HGFJKCVIVLRSIA-HNNXBMFYSA-N 2 2 285.391 3.116 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000657902812 419425739 /nfs/dbraw/zinc/42/57/39/419425739.db2.gz AFPOVGRMVJPEND-TXCZRRACSA-N 2 2 262.441 3.194 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000657902812 419425748 /nfs/dbraw/zinc/42/57/48/419425748.db2.gz AFPOVGRMVJPEND-TXCZRRACSA-N 2 2 262.441 3.194 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2csc(C)c2)CC1 ZINC000297936320 260138358 /nfs/dbraw/zinc/13/83/58/260138358.db2.gz XWINFLRECLUGCM-ZDUSSCGKSA-N 2 2 264.438 3.358 20 30 CGEDLP C[C@H](CC#N)[NH+](C)Cc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000161754287 261259596 /nfs/dbraw/zinc/25/95/96/261259596.db2.gz OZCBXKBDDYXOQB-IYBDPMFKSA-N 2 2 298.434 3.155 20 30 CGEDLP C[C@H](CC#N)[NH+](C)Cc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000161754287 261259597 /nfs/dbraw/zinc/25/95/97/261259597.db2.gz OZCBXKBDDYXOQB-IYBDPMFKSA-N 2 2 298.434 3.155 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000189325574 264289644 /nfs/dbraw/zinc/28/96/44/264289644.db2.gz BFHDTBAUXQOOKO-GXTWGEPZSA-N 2 2 290.373 3.348 20 30 CGEDLP N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000367762475 267116480 /nfs/dbraw/zinc/11/64/80/267116480.db2.gz CICUYDBRSBSHGK-MSOLQXFVSA-N 2 2 294.402 3.045 20 30 CGEDLP N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000367762475 267116482 /nfs/dbraw/zinc/11/64/82/267116482.db2.gz CICUYDBRSBSHGK-MSOLQXFVSA-N 2 2 294.402 3.045 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000341298134 328404640 /nfs/dbraw/zinc/40/46/40/328404640.db2.gz YMWYGQGCIYJICC-AEGPPILISA-N 2 2 261.413 3.259 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000449126105 330900527 /nfs/dbraw/zinc/90/05/27/330900527.db2.gz UMJRNDKKOVZOJM-OFQRWUPVSA-N 2 2 250.430 3.051 20 30 CGEDLP C#C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccc(F)cc1 ZINC000491278354 332179738 /nfs/dbraw/zinc/17/97/38/332179738.db2.gz SUJLGSGUKWYNQJ-QGZVFWFLSA-N 2 2 288.410 3.353 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)ccc2OC)CC1 ZINC000177908204 333065558 /nfs/dbraw/zinc/06/55/58/333065558.db2.gz KUXHLBPBHJZMRO-OAHLLOKOSA-N 2 2 288.435 3.305 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](OCCCC)C2(C)C)CC1 ZINC000181716865 335780366 /nfs/dbraw/zinc/78/03/66/335780366.db2.gz WSUFJDVZPFKUKO-IRXDYDNUSA-N 2 2 294.483 3.210 20 30 CGEDLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358561311 528818384 /nfs/dbraw/zinc/81/83/84/528818384.db2.gz GIKKASAGKZEYOT-ZDUSSCGKSA-N 2 2 277.387 3.078 20 30 CGEDLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358561311 528818387 /nfs/dbraw/zinc/81/83/87/528818387.db2.gz GIKKASAGKZEYOT-ZDUSSCGKSA-N 2 2 277.387 3.078 20 30 CGEDLP N#Cc1csc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000177691409 618010478 /nfs/dbraw/zinc/01/04/78/618010478.db2.gz JBTSWPQVSAMVQK-UHFFFAOYSA-N 2 2 294.383 3.095 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C2CC2)C(C)(C)C)CC1 ZINC000924984246 619475870 /nfs/dbraw/zinc/47/58/70/619475870.db2.gz QDSVOJQTEAPKBT-HNNXBMFYSA-N 2 2 250.430 3.051 20 30 CGEDLP C=CC[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccncc1 ZINC000925073372 619546603 /nfs/dbraw/zinc/54/66/03/619546603.db2.gz BOKXKUAZGYDYOB-RCCFBDPRSA-N 2 2 285.435 3.305 20 30 CGEDLP C=CC[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccncc1 ZINC000925073372 619546608 /nfs/dbraw/zinc/54/66/08/619546608.db2.gz BOKXKUAZGYDYOB-RCCFBDPRSA-N 2 2 285.435 3.305 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(C#N)c1 ZINC000902747945 621424000 /nfs/dbraw/zinc/42/40/00/621424000.db2.gz JHMTUXRVZYAIEE-KSZLIROESA-N 2 2 283.419 3.226 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(C#N)c1 ZINC000902747945 621424011 /nfs/dbraw/zinc/42/40/11/621424011.db2.gz JHMTUXRVZYAIEE-KSZLIROESA-N 2 2 283.419 3.226 20 30 CGEDLP C=CCC[C@H](CC)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938634 632239243 /nfs/dbraw/zinc/23/92/43/632239243.db2.gz OQPQKFJWIZLOCO-RDJZCZTQSA-N 2 2 275.440 3.087 20 30 CGEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000817941878 632241160 /nfs/dbraw/zinc/24/11/60/632241160.db2.gz STCOWUGESNEQTG-UKRRQHHQSA-N 2 2 294.826 3.221 20 30 CGEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000817955586 632249885 /nfs/dbraw/zinc/24/98/85/632249885.db2.gz ZLXBYIISTFNQTH-KXBFYZLASA-N 2 2 294.398 3.049 20 30 CGEDLP C#CCCCCCC[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000877046230 634962870 /nfs/dbraw/zinc/96/28/70/634962870.db2.gz JLRZEVHSIKNMNB-UHFFFAOYSA-N 2 2 294.483 3.049 20 30 CGEDLP C=CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000883223499 636595336 /nfs/dbraw/zinc/59/53/36/636595336.db2.gz QHJMWJCRJPKHCQ-DLBZAZTESA-N 2 2 295.430 3.434 20 30 CGEDLP N#CCCC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000925674504 638565099 /nfs/dbraw/zinc/56/50/99/638565099.db2.gz AXKGMLOSZLJYQM-IAGOWNOFSA-N 2 2 283.419 3.296 20 30 CGEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929991830 638966662 /nfs/dbraw/zinc/96/66/62/638966662.db2.gz KHQUEDDYOYQQPT-INIZCTEOSA-N 2 2 294.402 3.278 20 30 CGEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929991830 638966664 /nfs/dbraw/zinc/96/66/64/638966664.db2.gz KHQUEDDYOYQQPT-INIZCTEOSA-N 2 2 294.402 3.278 20 30 CGEDLP C[C@]1(C#N)CC[N@@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409958 806635128 /nfs/dbraw/zinc/63/51/28/806635128.db2.gz OAMSXZZMPLGTHU-RBUKOAKNSA-N 2 2 297.446 3.277 20 30 CGEDLP C[C@]1(C#N)CC[N@H+]([C@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409958 806635135 /nfs/dbraw/zinc/63/51/35/806635135.db2.gz OAMSXZZMPLGTHU-RBUKOAKNSA-N 2 2 297.446 3.277 20 30 CGEDLP C[C@]1(C#N)CC[NH+]([C@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255409958 806635143 /nfs/dbraw/zinc/63/51/43/806635143.db2.gz OAMSXZZMPLGTHU-RBUKOAKNSA-N 2 2 297.446 3.277 20 30 CGEDLP C[C@]1(C#N)CC[NH+]([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409958 806635147 /nfs/dbraw/zinc/63/51/47/806635147.db2.gz OAMSXZZMPLGTHU-RBUKOAKNSA-N 2 2 297.446 3.277 20 30 CGEDLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001255957198 806798710 /nfs/dbraw/zinc/79/87/10/806798710.db2.gz PFAKSUSULPLQBT-OAHLLOKOSA-N 2 2 285.435 3.037 20 30 CGEDLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001255957198 806798712 /nfs/dbraw/zinc/79/87/12/806798712.db2.gz PFAKSUSULPLQBT-OAHLLOKOSA-N 2 2 285.435 3.037 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246028159 804101061 /nfs/dbraw/zinc/10/10/61/804101061.db2.gz ZWXVHUMBGFNKJM-MSOLQXFVSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246028159 804101064 /nfs/dbraw/zinc/10/10/64/804101064.db2.gz ZWXVHUMBGFNKJM-MSOLQXFVSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCC[C@H](CC)[NH2+][C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001246290223 804261743 /nfs/dbraw/zinc/26/17/43/804261743.db2.gz FEVDXWGMRMGFOB-ULQDDVLXSA-N 2 2 284.488 3.482 20 30 CGEDLP CCCCCCCC[C@H](CC)[NH2+][C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001246290199 804262155 /nfs/dbraw/zinc/26/21/55/804262155.db2.gz FEVDXWGMRMGFOB-IKGGRYGDSA-N 2 2 284.488 3.482 20 30 CGEDLP CC[C@@H]1C[C@H]([N@H+](CCC#N)C2CCCC2)C[C@H](CC)[NH2+]1 ZINC001246768677 804503525 /nfs/dbraw/zinc/50/35/25/804503525.db2.gz GDZSWPJFMNPQLZ-QLPKVWCKSA-N 2 2 277.456 3.454 20 30 CGEDLP CC[C@@H]1C[C@H]([N@@H+](CCC#N)C2CCCC2)C[C@H](CC)[NH2+]1 ZINC001246768677 804503530 /nfs/dbraw/zinc/50/35/30/804503530.db2.gz GDZSWPJFMNPQLZ-QLPKVWCKSA-N 2 2 277.456 3.454 20 30 CGEDLP CCCCCCC[C@H](C)[N@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001246927965 804605856 /nfs/dbraw/zinc/60/58/56/804605856.db2.gz IWIRZUMWEDOSDH-JKSUJKDBSA-N 2 2 270.461 3.046 20 30 CGEDLP CCCCCCC[C@H](C)[N@@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001246927965 804605859 /nfs/dbraw/zinc/60/58/59/804605859.db2.gz IWIRZUMWEDOSDH-JKSUJKDBSA-N 2 2 270.461 3.046 20 30 CGEDLP C[C@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]ccc2ccc(C#N)cc21 ZINC001155024359 805525000 /nfs/dbraw/zinc/52/50/00/805525000.db2.gz HGDQZXHWGYIVPZ-XJKSGUPXSA-N 2 2 294.402 3.154 20 30 CGEDLP C=CCc1cc(C)c[nH+]c1NCc1ccc(N)[nH+]c1C ZINC001167784777 807250551 /nfs/dbraw/zinc/25/05/51/807250551.db2.gz CJQZNLMDPHQRPE-UHFFFAOYSA-N 2 2 268.364 3.016 20 30 CGEDLP C[C@H]1CC([NH2+]CC2(C#N)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168018772 807299890 /nfs/dbraw/zinc/29/98/90/807299890.db2.gz DLIKIZJVFPOSQM-HOTGVXAUSA-N 2 2 297.446 3.321 20 30 CGEDLP C=CCC[C@H](C)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001258720007 807569015 /nfs/dbraw/zinc/56/90/15/807569015.db2.gz OOFSBZYSGASUBX-SMDDNHRTSA-N 2 2 297.240 3.393 20 30 CGEDLP C[C@@H](CCCC#N)[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001172484536 808345991 /nfs/dbraw/zinc/34/59/91/808345991.db2.gz FXVOARZUNXJIQP-HKUYNNGSSA-N 2 2 299.462 3.365 20 30 CGEDLP C[C@H](CCCC#N)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001172487106 808348521 /nfs/dbraw/zinc/34/85/21/808348521.db2.gz JSNJFCFUKPKCRY-CQSZACIVSA-N 2 2 289.398 3.158 20 30 CGEDLP CCCCCCCC[C@H](CCC)[NH2+]C1(C[NH3+])COC1 ZINC001173310677 808605814 /nfs/dbraw/zinc/60/58/14/808605814.db2.gz XUSNVIHJUFPLGE-HNNXBMFYSA-N 2 2 270.461 3.223 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC001177548988 809808668 /nfs/dbraw/zinc/80/86/68/809808668.db2.gz ZTIQGDWHEXEEMZ-BBWFWOEESA-N 2 2 264.457 3.441 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001177548989 809808948 /nfs/dbraw/zinc/80/89/48/809808948.db2.gz ZTIQGDWHEXEEMZ-BRWVUGGUSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CCCCCCCCCC[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001205376225 812974300 /nfs/dbraw/zinc/97/43/00/812974300.db2.gz DKCJJQFVPOSIQO-KRWDZBQOSA-N 2 2 282.472 3.213 20 30 CGEDLP C=CCCCCCCCCC[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001205376225 812974304 /nfs/dbraw/zinc/97/43/04/812974304.db2.gz DKCJJQFVPOSIQO-KRWDZBQOSA-N 2 2 282.472 3.213 20 30 CGEDLP C=CCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205895177 813121797 /nfs/dbraw/zinc/12/17/97/813121797.db2.gz AUDVIZGJSKWMKI-HUUCEWRRSA-N 2 2 256.409 3.274 20 30 CGEDLP C=CCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205895177 813121803 /nfs/dbraw/zinc/12/18/03/813121803.db2.gz AUDVIZGJSKWMKI-HUUCEWRRSA-N 2 2 256.409 3.274 20 30 CGEDLP C=CCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001209160789 813951776 /nfs/dbraw/zinc/95/17/76/813951776.db2.gz CCUUNVHCGNMYRG-GJZGRUSLSA-N 2 2 291.464 3.006 20 30 CGEDLP C=CCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001209160789 813951779 /nfs/dbraw/zinc/95/17/79/813951779.db2.gz CCUUNVHCGNMYRG-GJZGRUSLSA-N 2 2 291.464 3.006 20 30 CGEDLP C=CCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001209160789 813951782 /nfs/dbraw/zinc/95/17/82/813951782.db2.gz CCUUNVHCGNMYRG-GJZGRUSLSA-N 2 2 291.464 3.006 20 30 CGEDLP C=CCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001209160789 813951787 /nfs/dbraw/zinc/95/17/87/813951787.db2.gz CCUUNVHCGNMYRG-GJZGRUSLSA-N 2 2 291.464 3.006 20 30 CGEDLP N#CCC[N@@H+](Cc1c[nH+]ccc1N)C1CCCCCCC1 ZINC001209734010 814123791 /nfs/dbraw/zinc/12/37/91/814123791.db2.gz KDCWWNPJCSFAEE-UHFFFAOYSA-N 2 2 286.423 3.323 20 30 CGEDLP N#CCC[N@H+](Cc1c[nH+]ccc1N)C1CCCCCCC1 ZINC001209734010 814123795 /nfs/dbraw/zinc/12/37/95/814123795.db2.gz KDCWWNPJCSFAEE-UHFFFAOYSA-N 2 2 286.423 3.323 20 30 CGEDLP C=CCCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235073773 818995273 /nfs/dbraw/zinc/99/52/73/818995273.db2.gz WGQIGBPNGOGQHV-HZPDHXFCSA-N 2 2 250.430 3.339 20 30 CGEDLP C=CCCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235073773 818995277 /nfs/dbraw/zinc/99/52/77/818995277.db2.gz WGQIGBPNGOGQHV-HZPDHXFCSA-N 2 2 250.430 3.339 20 30 CGEDLP C=CCCCCCCCC[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235113904 819009265 /nfs/dbraw/zinc/00/92/65/819009265.db2.gz HSYMLDYPSMUPRS-GOSISDBHSA-N 2 2 294.483 3.358 20 30 CGEDLP C=CCCCCCCCC[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235113904 819009270 /nfs/dbraw/zinc/00/92/70/819009270.db2.gz HSYMLDYPSMUPRS-GOSISDBHSA-N 2 2 294.483 3.358 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001461158134 937566868 /nfs/dbraw/zinc/56/68/68/937566868.db2.gz CTEJNGVMXTUYSS-ZIAGYGMSSA-N 2 2 250.430 3.051 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001461158131 937566963 /nfs/dbraw/zinc/56/69/63/937566963.db2.gz CTEJNGVMXTUYSS-FOLVSLTJSA-N 2 2 250.430 3.051 20 30 CGEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001308483710 933117811 /nfs/dbraw/zinc/11/78/11/933117811.db2.gz CWKYMNDAEIBGGL-GOSISDBHSA-N 2 2 297.446 3.282 20 30 CGEDLP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001308483710 933117813 /nfs/dbraw/zinc/11/78/13/933117813.db2.gz CWKYMNDAEIBGGL-GOSISDBHSA-N 2 2 297.446 3.282 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000651677883 398267968 /nfs/dbraw/zinc/26/79/68/398267968.db2.gz YDCQQSPLEJVJMD-WBVHZDCISA-N 2 2 285.435 3.385 20 30 CGEDLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423237335 529619052 /nfs/dbraw/zinc/61/90/52/529619052.db2.gz IHMAVFRVUOBFBR-ROUUACIJSA-N 2 2 279.387 3.299 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3scnc32)CC1 ZINC000623889498 349906743 /nfs/dbraw/zinc/90/67/43/349906743.db2.gz OKJBXVAPJDVPIX-CQSZACIVSA-N 2 2 291.464 3.151 20 30 CGEDLP C=CCCC[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000091508818 345817856 /nfs/dbraw/zinc/81/78/56/345817856.db2.gz AXYCOLISWTZFSD-CVEARBPZSA-N 2 2 250.430 3.291 20 30 CGEDLP C=CCCC[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000091508818 345817858 /nfs/dbraw/zinc/81/78/58/345817858.db2.gz AXYCOLISWTZFSD-CVEARBPZSA-N 2 2 250.430 3.291 20 30 CGEDLP CC1(C)C[C@@H]([NH2+]CCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000090184906 345785335 /nfs/dbraw/zinc/78/53/35/345785335.db2.gz OKODYKZVZOHVIB-QGZVFWFLSA-N 2 2 285.435 3.323 20 30 CGEDLP CC1(C)C[C@@H]([NH2+]CCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000090184906 345785339 /nfs/dbraw/zinc/78/53/39/345785339.db2.gz OKODYKZVZOHVIB-QGZVFWFLSA-N 2 2 285.435 3.323 20 30 CGEDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)[C@H]2C1 ZINC000585781572 346729741 /nfs/dbraw/zinc/72/97/41/346729741.db2.gz SVRQDSNQSPHTMJ-AEFFLSMTSA-N 2 2 297.446 3.014 20 30 CGEDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)[C@H]2C1 ZINC000585781572 346729743 /nfs/dbraw/zinc/72/97/43/346729743.db2.gz SVRQDSNQSPHTMJ-AEFFLSMTSA-N 2 2 297.446 3.014 20 30 CGEDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@H]2C1 ZINC000585781572 346729746 /nfs/dbraw/zinc/72/97/46/346729746.db2.gz SVRQDSNQSPHTMJ-AEFFLSMTSA-N 2 2 297.446 3.014 20 30 CGEDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@H]2C1 ZINC000585781572 346729749 /nfs/dbraw/zinc/72/97/49/346729749.db2.gz SVRQDSNQSPHTMJ-AEFFLSMTSA-N 2 2 297.446 3.014 20 30 CGEDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)[C@@H]2C1 ZINC000585781573 346729869 /nfs/dbraw/zinc/72/98/69/346729869.db2.gz SVRQDSNQSPHTMJ-FUHWJXTLSA-N 2 2 297.446 3.014 20 30 CGEDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)[C@@H]2C1 ZINC000585781573 346729872 /nfs/dbraw/zinc/72/98/72/346729872.db2.gz SVRQDSNQSPHTMJ-FUHWJXTLSA-N 2 2 297.446 3.014 20 30 CGEDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@@H]2C1 ZINC000585781573 346729873 /nfs/dbraw/zinc/72/98/73/346729873.db2.gz SVRQDSNQSPHTMJ-FUHWJXTLSA-N 2 2 297.446 3.014 20 30 CGEDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@@H]2C1 ZINC000585781573 346729874 /nfs/dbraw/zinc/72/98/74/346729874.db2.gz SVRQDSNQSPHTMJ-FUHWJXTLSA-N 2 2 297.446 3.014 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000602591354 347990419 /nfs/dbraw/zinc/99/04/19/347990419.db2.gz ADLHZZZAUWRRTJ-CQSZACIVSA-N 2 2 284.407 3.035 20 30 CGEDLP CC(C)(C#N)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602617732 347994768 /nfs/dbraw/zinc/99/47/68/347994768.db2.gz ZRODAYAVODCLLP-SJLPKXTDSA-N 2 2 297.446 3.494 20 30 CGEDLP CC(C)(C#N)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602617732 347994769 /nfs/dbraw/zinc/99/47/69/347994769.db2.gz ZRODAYAVODCLLP-SJLPKXTDSA-N 2 2 297.446 3.494 20 30 CGEDLP CCC1([NH+](C)C)CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000602966706 348047744 /nfs/dbraw/zinc/04/77/44/348047744.db2.gz OWANNHGMFBZRBC-OAHLLOKOSA-N 2 2 285.435 3.425 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980937 348051561 /nfs/dbraw/zinc/05/15/61/348051561.db2.gz XQGFLMLXVOYWQO-MAUKXSAKSA-N 2 2 294.402 3.305 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980937 348051564 /nfs/dbraw/zinc/05/15/64/348051564.db2.gz XQGFLMLXVOYWQO-MAUKXSAKSA-N 2 2 294.402 3.305 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000611390868 348444711 /nfs/dbraw/zinc/44/47/11/348444711.db2.gz IMVBZOVXKLHGRM-SFHVURJKSA-N 2 2 294.402 3.202 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000611392861 348445161 /nfs/dbraw/zinc/44/51/61/348445161.db2.gz RELLGEIURRZRIJ-IEBWSBKVSA-N 2 2 295.430 3.010 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000611392861 348445163 /nfs/dbraw/zinc/44/51/63/348445163.db2.gz RELLGEIURRZRIJ-IEBWSBKVSA-N 2 2 295.430 3.010 20 30 CGEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000611438245 348452479 /nfs/dbraw/zinc/45/24/79/348452479.db2.gz SFSDXOFCWAGGSN-HNNXBMFYSA-N 2 2 297.446 3.158 20 30 CGEDLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000618286817 349067353 /nfs/dbraw/zinc/06/73/53/349067353.db2.gz LOYNSTRQTOBXIU-OAHLLOKOSA-N 2 2 265.445 3.169 20 30 CGEDLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000618286817 349067357 /nfs/dbraw/zinc/06/73/57/349067357.db2.gz LOYNSTRQTOBXIU-OAHLLOKOSA-N 2 2 265.445 3.169 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000275595342 193082809 /nfs/dbraw/zinc/08/28/09/193082809.db2.gz KJWLCVVCENAFLT-ZDUSSCGKSA-N 2 2 280.375 3.222 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000173398369 373134793 /nfs/dbraw/zinc/13/47/93/373134793.db2.gz PFYLFLCRYIMSOD-GFCCVEGCSA-N 2 2 280.362 3.266 20 30 CGEDLP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000449238765 373674006 /nfs/dbraw/zinc/67/40/06/373674006.db2.gz HHZKACRGNWFWIO-INIZCTEOSA-N 2 2 299.462 3.221 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000182188006 374231004 /nfs/dbraw/zinc/23/10/04/374231004.db2.gz OAWREOIDQOLGIJ-UHFFFAOYSA-N 2 2 294.826 3.176 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000190938065 375551128 /nfs/dbraw/zinc/55/11/28/375551128.db2.gz VJCKOBYCFOXKCA-INIZCTEOSA-N 2 2 274.408 3.287 20 30 CGEDLP C=CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1Cl ZINC000516082855 375817619 /nfs/dbraw/zinc/81/76/19/375817619.db2.gz FKFSCKDYJDHVOW-OCCSQVGLSA-N 2 2 294.826 3.216 20 30 CGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1Cl ZINC000516082855 375817623 /nfs/dbraw/zinc/81/76/23/375817623.db2.gz FKFSCKDYJDHVOW-OCCSQVGLSA-N 2 2 294.826 3.216 20 30 CGEDLP N#Cc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000536371092 376087439 /nfs/dbraw/zinc/08/74/39/376087439.db2.gz MXJTUPPFNLJVFJ-UHFFFAOYSA-N 2 2 292.386 3.030 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000194886302 376055326 /nfs/dbraw/zinc/05/53/26/376055326.db2.gz QLVLQAQYLUFOKT-AWEZNQCLSA-N 2 2 274.408 3.083 20 30 CGEDLP N#CCC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000539299364 376302008 /nfs/dbraw/zinc/30/20/08/376302008.db2.gz YQHMXCCAOLQETQ-IBGZPJMESA-N 2 2 297.446 3.495 20 30 CGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1Cl ZINC000261701052 377842810 /nfs/dbraw/zinc/84/28/10/377842810.db2.gz IDBPMZDTKAPMOS-INIZCTEOSA-N 2 2 294.826 3.076 20 30 CGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1Cl ZINC000261701052 377842819 /nfs/dbraw/zinc/84/28/19/377842819.db2.gz IDBPMZDTKAPMOS-INIZCTEOSA-N 2 2 294.826 3.076 20 30 CGEDLP CC(C)(CCC#N)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000266184494 378016888 /nfs/dbraw/zinc/01/68/88/378016888.db2.gz GXCJLWDOLCJMCH-UHFFFAOYSA-N 2 2 296.418 3.351 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273875454 378760255 /nfs/dbraw/zinc/76/02/55/378760255.db2.gz PMEAMMZAEMWWDK-KBAYOESNSA-N 2 2 285.435 3.321 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273875454 378760258 /nfs/dbraw/zinc/76/02/58/378760258.db2.gz PMEAMMZAEMWWDK-KBAYOESNSA-N 2 2 285.435 3.321 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000274977752 378924219 /nfs/dbraw/zinc/92/42/19/378924219.db2.gz BBFRFKOWZQIPCI-BBRMVZONSA-N 2 2 280.375 3.222 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000274977752 378924225 /nfs/dbraw/zinc/92/42/25/378924225.db2.gz BBFRFKOWZQIPCI-BBRMVZONSA-N 2 2 280.375 3.222 20 30 CGEDLP C=C(CC)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389813694 379902742 /nfs/dbraw/zinc/90/27/42/379902742.db2.gz HNIOKVWHVVWVQV-WBVHZDCISA-N 2 2 258.409 3.063 20 30 CGEDLP C=C(CC)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389813694 379902748 /nfs/dbraw/zinc/90/27/48/379902748.db2.gz HNIOKVWHVVWVQV-WBVHZDCISA-N 2 2 258.409 3.063 20 30 CGEDLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000353986180 380265056 /nfs/dbraw/zinc/26/50/56/380265056.db2.gz HJCUDICQSUBYEE-MSOLQXFVSA-N 2 2 285.435 3.473 20 30 CGEDLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000353986180 380265061 /nfs/dbraw/zinc/26/50/61/380265061.db2.gz HJCUDICQSUBYEE-MSOLQXFVSA-N 2 2 285.435 3.473 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000361859833 381873427 /nfs/dbraw/zinc/87/34/27/381873427.db2.gz IGKTURPPIUTFNM-CQSZACIVSA-N 2 2 294.402 3.305 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000361859833 381873433 /nfs/dbraw/zinc/87/34/33/381873433.db2.gz IGKTURPPIUTFNM-CQSZACIVSA-N 2 2 294.402 3.305 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000430770752 533643179 /nfs/dbraw/zinc/64/31/79/533643179.db2.gz VPXBVTQUGUMMQE-SJLPKXTDSA-N 2 2 297.446 3.180 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000430770752 533643184 /nfs/dbraw/zinc/64/31/84/533643184.db2.gz VPXBVTQUGUMMQE-SJLPKXTDSA-N 2 2 297.446 3.180 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000284155820 392310456 /nfs/dbraw/zinc/31/04/56/392310456.db2.gz POBCYDRMZWESQK-KRWDZBQOSA-N 2 2 286.419 3.010 20 30 CGEDLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(C#N)c(F)c2)CC1 ZINC000361712642 392301396 /nfs/dbraw/zinc/30/13/96/392301396.db2.gz SCSKRUMKDVSQCW-UHFFFAOYSA-N 2 2 289.398 3.002 20 30 CGEDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)c(F)c2)CC1 ZINC000361712642 392301400 /nfs/dbraw/zinc/30/14/00/392301400.db2.gz SCSKRUMKDVSQCW-UHFFFAOYSA-N 2 2 289.398 3.002 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2CC)CC1 ZINC000181746514 392735576 /nfs/dbraw/zinc/73/55/76/392735576.db2.gz DKXTYTVRHKVFLE-ZBFHGGJFSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364663 392708413 /nfs/dbraw/zinc/70/84/13/392708413.db2.gz HTZIRJFXCLRVQE-ZFWWWQNUSA-N 2 2 271.408 3.376 20 30 CGEDLP C=CCCC[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346209473 393079859 /nfs/dbraw/zinc/07/98/59/393079859.db2.gz UTJWCIRTSDUEMC-UHFFFAOYSA-N 2 2 261.394 3.332 20 30 CGEDLP C=CCCC[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346209473 393079861 /nfs/dbraw/zinc/07/98/61/393079861.db2.gz UTJWCIRTSDUEMC-UHFFFAOYSA-N 2 2 261.394 3.332 20 30 CGEDLP Cc1cc(C[NH2+]CCCCNc2cccc[nH+]2)ccc1C#N ZINC000443958260 393778290 /nfs/dbraw/zinc/77/82/90/393778290.db2.gz CQWAOPHHAJPKLQ-UHFFFAOYSA-N 2 2 294.402 3.244 20 30 CGEDLP C=C(C)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660851804 419204229 /nfs/dbraw/zinc/20/42/29/419204229.db2.gz AMUSNNZMMHJUTH-UHFFFAOYSA-N 2 2 269.392 3.394 20 30 CGEDLP C=CCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000657582889 419309869 /nfs/dbraw/zinc/30/98/69/419309869.db2.gz LQPWZIXSVHWKMU-INIZCTEOSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000657582889 419309872 /nfs/dbraw/zinc/30/98/72/419309872.db2.gz LQPWZIXSVHWKMU-INIZCTEOSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000657878593 419402269 /nfs/dbraw/zinc/40/22/69/419402269.db2.gz WVELAPWJUFILGA-BRWVUGGUSA-N 2 2 262.441 3.195 20 30 CGEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000657878593 419402275 /nfs/dbraw/zinc/40/22/75/419402275.db2.gz WVELAPWJUFILGA-BRWVUGGUSA-N 2 2 262.441 3.195 20 30 CGEDLP C#CCCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090398307 260259496 /nfs/dbraw/zinc/25/94/96/260259496.db2.gz SXYUTBMLNXPYEK-HNNXBMFYSA-N 2 2 267.376 3.326 20 30 CGEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000130516121 260398004 /nfs/dbraw/zinc/39/80/04/260398004.db2.gz WVDMKEFHXUXYCR-RDJZCZTQSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000130516121 260398005 /nfs/dbraw/zinc/39/80/05/260398005.db2.gz WVDMKEFHXUXYCR-RDJZCZTQSA-N 2 2 258.409 3.205 20 30 CGEDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000340440543 263150089 /nfs/dbraw/zinc/15/00/89/263150089.db2.gz CJGMQTNWJKPCBQ-CGTJXYLNSA-N 2 2 285.435 3.351 20 30 CGEDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)C1 ZINC000340440543 263150090 /nfs/dbraw/zinc/15/00/90/263150090.db2.gz CJGMQTNWJKPCBQ-CGTJXYLNSA-N 2 2 285.435 3.351 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccccc2O)CC1 ZINC000185210770 265004033 /nfs/dbraw/zinc/00/40/33/265004033.db2.gz AOYCHXPBZJNFKR-INIZCTEOSA-N 2 2 274.408 3.083 20 30 CGEDLP N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000367762477 267116193 /nfs/dbraw/zinc/11/61/93/267116193.db2.gz CICUYDBRSBSHGK-ROUUACIJSA-N 2 2 294.402 3.045 20 30 CGEDLP N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000367762477 267116196 /nfs/dbraw/zinc/11/61/96/267116196.db2.gz CICUYDBRSBSHGK-ROUUACIJSA-N 2 2 294.402 3.045 20 30 CGEDLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000418144695 267365324 /nfs/dbraw/zinc/36/53/24/267365324.db2.gz UTOHZKINNOPBPT-DOTOQJQBSA-N 2 2 289.467 3.313 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000341298138 328404570 /nfs/dbraw/zinc/40/45/70/328404570.db2.gz YMWYGQGCIYJICC-NWANDNLSSA-N 2 2 261.413 3.259 20 30 CGEDLP C=CCC[C@H](CC)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000378185881 329042581 /nfs/dbraw/zinc/04/25/81/329042581.db2.gz VAYXZSMZWONYQN-CABCVRRESA-N 2 2 261.413 3.403 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccccc2OC)CC1 ZINC000177912664 329190317 /nfs/dbraw/zinc/19/03/17/329190317.db2.gz OOZRXYVOKDTQGW-KRWDZBQOSA-N 2 2 288.435 3.386 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2F)CC1 ZINC000177904290 329190397 /nfs/dbraw/zinc/19/03/97/329190397.db2.gz KXLQTDDCLWOSTL-CYBMUJFWSA-N 2 2 262.372 3.127 20 30 CGEDLP C=CCCC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423084229 330168933 /nfs/dbraw/zinc/16/89/33/330168933.db2.gz HCSNIKQMJQSQIH-IRXDYDNUSA-N 2 2 274.408 3.044 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@H]2C)CC1 ZINC000449126101 330900529 /nfs/dbraw/zinc/90/05/29/330900529.db2.gz UMJRNDKKOVZOJM-IIAWOOMASA-N 2 2 250.430 3.051 20 30 CGEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449243911 330909203 /nfs/dbraw/zinc/90/92/03/330909203.db2.gz OERAXZGJYJSGOA-WMZOPIPTSA-N 2 2 299.462 3.364 20 30 CGEDLP C=CC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000453312140 331114930 /nfs/dbraw/zinc/11/49/30/331114930.db2.gz UQHKRFIWFDTBEN-WBVHZDCISA-N 2 2 287.451 3.094 20 30 CGEDLP C=CC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000453312140 331114931 /nfs/dbraw/zinc/11/49/31/331114931.db2.gz UQHKRFIWFDTBEN-WBVHZDCISA-N 2 2 287.451 3.094 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)C2CCCCC2)CC1 ZINC000177313685 333057454 /nfs/dbraw/zinc/05/74/54/333057454.db2.gz NYNKDVGVOMTGQV-CQSZACIVSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCCCC)C2(C)C)CC1 ZINC000181716885 335780368 /nfs/dbraw/zinc/78/03/68/335780368.db2.gz WSUFJDVZPFKUKO-IAGOWNOFSA-N 2 2 294.483 3.210 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)C1CC1 ZINC000747857476 572951492 /nfs/dbraw/zinc/95/14/92/572951492.db2.gz OSGLBMWJRQOKLR-HOCLYGCPSA-N 2 2 250.430 3.195 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931351960 619151031 /nfs/dbraw/zinc/15/10/31/619151031.db2.gz BMVXZUXTYOEFLT-CQSZACIVSA-N 2 2 271.408 3.035 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000924984199 619475890 /nfs/dbraw/zinc/47/58/90/619475890.db2.gz PJAQRYAMMXGTSD-QFBILLFUSA-N 2 2 299.462 3.033 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(C#N)c1 ZINC000902747947 621424940 /nfs/dbraw/zinc/42/49/40/621424940.db2.gz JHMTUXRVZYAIEE-RCCFBDPRSA-N 2 2 283.419 3.226 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(C#N)c1 ZINC000902747947 621424950 /nfs/dbraw/zinc/42/49/50/621424950.db2.gz JHMTUXRVZYAIEE-RCCFBDPRSA-N 2 2 283.419 3.226 20 30 CGEDLP CC(C)n1c[nH+]cc1/C=C\C(=O)c1cccc(C[NH+](C)C)c1 ZINC000905077898 622032624 /nfs/dbraw/zinc/03/26/24/622032624.db2.gz IRLXCLHQSLXDEO-HJWRWDBZSA-N 2 2 297.402 3.422 20 30 CGEDLP CCC[NH+](CCC)CCC[NH2+]Cc1csc(C#N)c1 ZINC000921670139 625815853 /nfs/dbraw/zinc/81/58/53/625815853.db2.gz KMJXGDQUKVPZEU-UHFFFAOYSA-N 2 2 279.453 3.221 20 30 CGEDLP C[NH+](C)C1(C)CCC(/[NH+]=C/c2ccccc2O)CC1 ZINC000864346781 629815229 /nfs/dbraw/zinc/81/52/29/629815229.db2.gz DQMFVVROJQJKHV-SFQUDFHCSA-N 2 2 260.381 3.074 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883388135 636729832 /nfs/dbraw/zinc/72/98/32/636729832.db2.gz NQMOTPSVLDIMFM-NJAFHUGGSA-N 2 2 294.402 3.296 20 30 CGEDLP N#CCC1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255136623 806551835 /nfs/dbraw/zinc/55/18/35/806551835.db2.gz MSFBIERIORUXLF-REPLKXPHSA-N 2 2 295.430 3.027 20 30 CGEDLP N#CCC1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255136623 806551842 /nfs/dbraw/zinc/55/18/42/806551842.db2.gz MSFBIERIORUXLF-REPLKXPHSA-N 2 2 295.430 3.027 20 30 CGEDLP CC[C@H](CC#N)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001255173410 806567512 /nfs/dbraw/zinc/56/75/12/806567512.db2.gz AANMFQASNZNLRS-OWCLPIDISA-N 2 2 263.429 3.017 20 30 CGEDLP CC[C@H](CC#N)[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001255173410 806567517 /nfs/dbraw/zinc/56/75/17/806567517.db2.gz AANMFQASNZNLRS-OWCLPIDISA-N 2 2 263.429 3.017 20 30 CGEDLP CC[C@H](CC#N)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001255173410 806567522 /nfs/dbraw/zinc/56/75/22/806567522.db2.gz AANMFQASNZNLRS-OWCLPIDISA-N 2 2 263.429 3.017 20 30 CGEDLP CC[C@H](CC#N)[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001255173410 806567527 /nfs/dbraw/zinc/56/75/27/806567527.db2.gz AANMFQASNZNLRS-OWCLPIDISA-N 2 2 263.429 3.017 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000390714567 799473081 /nfs/dbraw/zinc/47/30/81/799473081.db2.gz BTLNTBLQTYEVEH-QZTJIDSGSA-N 2 2 285.435 3.180 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390714567 799473085 /nfs/dbraw/zinc/47/30/85/799473085.db2.gz BTLNTBLQTYEVEH-QZTJIDSGSA-N 2 2 285.435 3.180 20 30 CGEDLP CCCCCCCC[C@@H](CCC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246088556 804120941 /nfs/dbraw/zinc/12/09/41/804120941.db2.gz KZYGVPLMAXYGRL-IAGOWNOFSA-N 2 2 284.488 3.484 20 30 CGEDLP CCCCCCC[C@H](CC)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246086627 804121096 /nfs/dbraw/zinc/12/10/96/804121096.db2.gz BEAJVDVGUWMXIJ-RRFJBIMHSA-N 2 2 258.425 3.415 20 30 CGEDLP CCCCCCC[C@@H](C)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246335814 804290857 /nfs/dbraw/zinc/29/08/57/804290857.db2.gz ILHNCCXSOSHZPU-ZIAGYGMSSA-N 2 2 258.475 3.030 20 30 CGEDLP CCCC[N@H+](CC#N)[C@H](C)CCC[NH+](CC)CC ZINC001167836829 807259561 /nfs/dbraw/zinc/25/95/61/807259561.db2.gz HTVXACBFBADMPB-OAHLLOKOSA-N 2 2 253.434 3.123 20 30 CGEDLP CCCC[N@@H+](CC#N)[C@H](C)CCC[NH+](CC)CC ZINC001167836829 807259564 /nfs/dbraw/zinc/25/95/64/807259564.db2.gz HTVXACBFBADMPB-OAHLLOKOSA-N 2 2 253.434 3.123 20 30 CGEDLP C[C@@H](CC#N)[NH2+]C1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168024204 807301073 /nfs/dbraw/zinc/30/10/73/807301073.db2.gz CDKFCGHUDSWEGG-JYJNAYRXSA-N 2 2 285.435 3.320 20 30 CGEDLP CCC[C@@](C)(C#N)[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173107007 808512419 /nfs/dbraw/zinc/51/24/19/808512419.db2.gz ULHQPOXKVXMCND-GPANFISMSA-N 2 2 265.445 3.311 20 30 CGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173597310 808650889 /nfs/dbraw/zinc/65/08/89/808650889.db2.gz OVCJADTYHZRDFD-UPTPFMHGSA-N 2 2 299.418 3.316 20 30 CGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173597310 808650891 /nfs/dbraw/zinc/65/08/91/808650891.db2.gz OVCJADTYHZRDFD-UPTPFMHGSA-N 2 2 299.418 3.316 20 30 CGEDLP CC(C)[N@H+](Cc1ccc(Cl)c(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC001236470406 819490928 /nfs/dbraw/zinc/49/09/28/819490928.db2.gz GAVYVHRAXVXSHM-OAHLLOKOSA-N 2 2 291.826 3.174 20 30 CGEDLP CC(C)[N@@H+](Cc1ccc(Cl)c(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC001236470406 819490932 /nfs/dbraw/zinc/49/09/32/819490932.db2.gz GAVYVHRAXVXSHM-OAHLLOKOSA-N 2 2 291.826 3.174 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001237379391 819738595 /nfs/dbraw/zinc/73/85/95/819738595.db2.gz BCFXXISZUYQEEJ-SQNIBIBYSA-N 2 2 274.452 3.363 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001237379391 819738601 /nfs/dbraw/zinc/73/86/01/819738601.db2.gz BCFXXISZUYQEEJ-SQNIBIBYSA-N 2 2 274.452 3.363 20 30 CGEDLP Cc1ccc(C#N)cc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242542464 823025236 /nfs/dbraw/zinc/02/52/36/823025236.db2.gz IIRGAOMSFWNLON-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(C#N)cc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242542464 823025237 /nfs/dbraw/zinc/02/52/37/823025237.db2.gz IIRGAOMSFWNLON-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001461811858 937598549 /nfs/dbraw/zinc/59/85/49/937598549.db2.gz QKISVGYMCISXET-HUUCEWRRSA-N 2 2 250.430 3.053 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001461811858 937598551 /nfs/dbraw/zinc/59/85/51/937598551.db2.gz QKISVGYMCISXET-HUUCEWRRSA-N 2 2 250.430 3.053 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](c2cccnc2)C(C)C)CC1 ZINC000091334250 345810571 /nfs/dbraw/zinc/81/05/71/345810571.db2.gz YJZYLBJOUNFXSR-KRWDZBQOSA-N 2 2 273.424 3.019 20 30 CGEDLP CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593702684 347105795 /nfs/dbraw/zinc/10/57/95/347105795.db2.gz MWEFBFCQDOWQTM-OAHLLOKOSA-N 2 2 285.435 3.301 20 30 CGEDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc(C#N)c1 ZINC000594724236 347213444 /nfs/dbraw/zinc/21/34/44/347213444.db2.gz QFBJSQMWGKXORF-BBRMVZONSA-N 2 2 271.408 3.082 20 30 CGEDLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cccc(C#N)c1 ZINC000594724236 347213449 /nfs/dbraw/zinc/21/34/49/347213449.db2.gz QFBJSQMWGKXORF-BBRMVZONSA-N 2 2 271.408 3.082 20 30 CGEDLP N#CC1(c2ccc(C[NH2+]CCCCn3cc[nH+]c3)cc2)CC1 ZINC000594928804 347232429 /nfs/dbraw/zinc/23/24/29/347232429.db2.gz ZUBQZDDCRSPACU-UHFFFAOYSA-N 2 2 294.402 3.008 20 30 CGEDLP N#CCCC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595552285 347318477 /nfs/dbraw/zinc/31/84/77/347318477.db2.gz SHMMKUSXVZMGTA-UHFFFAOYSA-N 2 2 282.391 3.121 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000602564469 347983600 /nfs/dbraw/zinc/98/36/00/347983600.db2.gz GRPSMHQLBXPKET-WBVHZDCISA-N 2 2 296.418 3.233 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000602591342 347990379 /nfs/dbraw/zinc/99/03/79/347990379.db2.gz ADLHZZZAUWRRTJ-AWEZNQCLSA-N 2 2 284.407 3.035 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000611390755 348444246 /nfs/dbraw/zinc/44/42/46/348444246.db2.gz RTNZSWTUJXAIIN-SFHVURJKSA-N 2 2 283.419 3.011 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)cc2)CC1 ZINC000177913337 189079062 /nfs/dbraw/zinc/07/90/62/189079062.db2.gz PSGBKFKKPSPWDY-HNNXBMFYSA-N 2 2 258.409 3.296 20 30 CGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CCCNc1cccc[nH+]1)CC2 ZINC000353275191 220003561 /nfs/dbraw/zinc/00/35/61/220003561.db2.gz QEWQLYDPKBCNAV-QGZVFWFLSA-N 2 2 292.386 3.032 20 30 CGEDLP C=CCC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccco1 ZINC000276475762 193346631 /nfs/dbraw/zinc/34/66/31/193346631.db2.gz QPHVPWDCCLRYOY-CQSZACIVSA-N 2 2 259.353 3.163 20 30 CGEDLP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc(C#N)cc1F ZINC000423205421 372029220 /nfs/dbraw/zinc/02/92/20/372029220.db2.gz VMUWNRNUEFBZMP-CYBMUJFWSA-N 2 2 289.398 3.400 20 30 CGEDLP Cc1cc[nH+]cc1CCC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000290506783 372003930 /nfs/dbraw/zinc/00/39/30/372003930.db2.gz WUIBQAPDANFDGJ-UHFFFAOYSA-N 2 2 291.398 3.473 20 30 CGEDLP C=C[C@H]1CCCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000426559772 372165392 /nfs/dbraw/zinc/16/53/92/372165392.db2.gz NGEZUUVGXMEEGX-ZDUSSCGKSA-N 2 2 273.405 3.474 20 30 CGEDLP C=C[C@H]1CCCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000426559772 372165393 /nfs/dbraw/zinc/16/53/93/372165393.db2.gz NGEZUUVGXMEEGX-ZDUSSCGKSA-N 2 2 273.405 3.474 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000439077794 372972244 /nfs/dbraw/zinc/97/22/44/372972244.db2.gz NTMNURSJWTWKMM-INMHGKMJSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000439077794 372972249 /nfs/dbraw/zinc/97/22/49/372972249.db2.gz NTMNURSJWTWKMM-INMHGKMJSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC000439007779 372973254 /nfs/dbraw/zinc/97/32/54/372973254.db2.gz ZKVSFEWJFJGQGT-HZPDHXFCSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC000439007779 372973262 /nfs/dbraw/zinc/97/32/62/372973262.db2.gz ZKVSFEWJFJGQGT-HZPDHXFCSA-N 2 2 250.430 3.195 20 30 CGEDLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)Cc1ccccc1 ZINC000442716608 373070144 /nfs/dbraw/zinc/07/01/44/373070144.db2.gz OKLHRXINVALGDX-QYZOEREBSA-N 2 2 299.462 3.221 20 30 CGEDLP C[C@@H]([NH2+]CCCCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000180657213 374032946 /nfs/dbraw/zinc/03/29/46/374032946.db2.gz WNJZJLVNOCXLHZ-CQSZACIVSA-N 2 2 268.364 3.217 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](OCC)C2(CC)CC)CC1 ZINC000181716278 374160110 /nfs/dbraw/zinc/16/01/10/374160110.db2.gz GUCKOLYAYSPOAV-IRXDYDNUSA-N 2 2 294.483 3.210 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](OCCCC)C2(C)C)CC1 ZINC000181716903 374160369 /nfs/dbraw/zinc/16/03/69/374160369.db2.gz WSUFJDVZPFKUKO-SJORKVTESA-N 2 2 294.483 3.210 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000512015104 375792891 /nfs/dbraw/zinc/79/28/91/375792891.db2.gz OAYSBHYCHHVXIM-ARJAWSKDSA-N 2 2 292.373 3.218 20 30 CGEDLP CC(C)(CCC#N)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000342315713 377641362 /nfs/dbraw/zinc/64/13/62/377641362.db2.gz ZMWFKCJIJXNNMI-UHFFFAOYSA-N 2 2 288.420 3.353 20 30 CGEDLP C[C@@H](C[NH2+]CC(C)(C)CCC#N)[N@@H+]1CCCC[C@H]1C ZINC000343282456 377946976 /nfs/dbraw/zinc/94/69/76/377946976.db2.gz JUEZXKYCSSIICO-CABCVRRESA-N 2 2 265.445 3.169 20 30 CGEDLP C[C@@H](C[NH2+]CC(C)(C)CCC#N)[N@H+]1CCCC[C@H]1C ZINC000343282456 377946981 /nfs/dbraw/zinc/94/69/81/377946981.db2.gz JUEZXKYCSSIICO-CABCVRRESA-N 2 2 265.445 3.169 20 30 CGEDLP C=CCOCCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000348044588 378764518 /nfs/dbraw/zinc/76/45/18/378764518.db2.gz HHKLIFBNZOTBBW-HNNXBMFYSA-N 2 2 285.391 3.116 20 30 CGEDLP C=CC[C@H](CC)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000281151229 379820710 /nfs/dbraw/zinc/82/07/10/379820710.db2.gz AVQHRYPJQKUWLD-SFHVURJKSA-N 2 2 297.446 3.467 20 30 CGEDLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000289195012 197258587 /nfs/dbraw/zinc/25/85/87/197258587.db2.gz UVCHHIQBIODYMY-UHFFFAOYSA-N 2 2 279.387 3.326 20 30 CGEDLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000289195012 197258588 /nfs/dbraw/zinc/25/85/88/197258588.db2.gz UVCHHIQBIODYMY-UHFFFAOYSA-N 2 2 279.387 3.326 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(F)c2F)CC1 ZINC000183260385 392754547 /nfs/dbraw/zinc/75/45/47/392754547.db2.gz BUWMTINEOCEKGI-GFCCVEGCSA-N 2 2 280.362 3.266 20 30 CGEDLP CC[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)[NH+]1CCCC1 ZINC000353412205 393220801 /nfs/dbraw/zinc/22/08/01/393220801.db2.gz LDWFUKQBIXYMJC-FUHWJXTLSA-N 2 2 283.419 3.010 20 30 CGEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCn1cc[nH+]c1 ZINC000360841002 393596799 /nfs/dbraw/zinc/59/67/99/393596799.db2.gz PWNDUCJUWSWSJK-SFHVURJKSA-N 2 2 294.402 3.202 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448028013 393867668 /nfs/dbraw/zinc/86/76/68/393867668.db2.gz ODGDXWOLCNNGCR-ZNMIVQPWSA-N 2 2 252.446 3.297 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448028013 393867671 /nfs/dbraw/zinc/86/76/71/393867671.db2.gz ODGDXWOLCNNGCR-ZNMIVQPWSA-N 2 2 252.446 3.297 20 30 CGEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657530723 419299603 /nfs/dbraw/zinc/29/96/03/419299603.db2.gz RXJYFNARERAHHI-UKRRQHHQSA-N 2 2 259.397 3.054 20 30 CGEDLP C=CCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000657582890 419309848 /nfs/dbraw/zinc/30/98/48/419309848.db2.gz LQPWZIXSVHWKMU-MRXNPFEDSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000657582890 419309850 /nfs/dbraw/zinc/30/98/50/419309850.db2.gz LQPWZIXSVHWKMU-MRXNPFEDSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CCCC(C)(C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000657805368 419360180 /nfs/dbraw/zinc/36/01/80/419360180.db2.gz NKVYNANXPOZGBQ-UHFFFAOYSA-N 2 2 257.381 3.477 20 30 CGEDLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000192953975 262212495 /nfs/dbraw/zinc/21/24/95/262212495.db2.gz NDUDZBKMKNTMOJ-KANFNMMFSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000192953975 262212496 /nfs/dbraw/zinc/21/24/96/262212496.db2.gz NDUDZBKMKNTMOJ-KANFNMMFSA-N 2 2 297.446 3.321 20 30 CGEDLP C=CC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000130750262 264359282 /nfs/dbraw/zinc/35/92/82/264359282.db2.gz AVDFDWZCDHTQFK-UHFFFAOYSA-N 2 2 264.800 3.080 20 30 CGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)CC2 ZINC000527997687 270149494 /nfs/dbraw/zinc/14/94/94/270149494.db2.gz AGKFACBHNAFSQZ-MJGOQNOKSA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)CC2 ZINC000527997687 270149495 /nfs/dbraw/zinc/14/94/95/270149495.db2.gz AGKFACBHNAFSQZ-MJGOQNOKSA-N 2 2 295.430 3.152 20 30 CGEDLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353582556 276012189 /nfs/dbraw/zinc/01/21/89/276012189.db2.gz SKGHKJXULHLJDJ-FUHWJXTLSA-N 2 2 283.419 3.010 20 30 CGEDLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353582556 276012190 /nfs/dbraw/zinc/01/21/90/276012190.db2.gz SKGHKJXULHLJDJ-FUHWJXTLSA-N 2 2 283.419 3.010 20 30 CGEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266763961 290219301 /nfs/dbraw/zinc/21/93/01/290219301.db2.gz QQTOBVDFILUWPT-CYBMUJFWSA-N 2 2 280.375 3.222 20 30 CGEDLP C=CCC[C@H]([NH2+][C@@H](C[NH3+])CCCC)c1ccco1 ZINC000423303819 330188953 /nfs/dbraw/zinc/18/89/53/330188953.db2.gz XOIRLMPUKYPFPN-KGLIPLIRSA-N 2 2 250.386 3.394 20 30 CGEDLP C#C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)(C)C ZINC000491349843 332194704 /nfs/dbraw/zinc/19/47/04/332194704.db2.gz KOQJOKYYUJNHIK-AWEZNQCLSA-N 2 2 273.405 3.071 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)[C@H](C)CCC)CC1 ZINC000177909968 333065477 /nfs/dbraw/zinc/06/54/77/333065477.db2.gz BVGBJIZJLHVJSX-ZBFHGGJFSA-N 2 2 252.446 3.441 20 30 CGEDLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccc(C#N)c1 ZINC000181457023 335762486 /nfs/dbraw/zinc/76/24/86/335762486.db2.gz PEKRYBGUROPLIF-CQSZACIVSA-N 2 2 290.370 3.099 20 30 CGEDLP C=CCC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccco1 ZINC000353675723 527451230 /nfs/dbraw/zinc/45/12/30/527451230.db2.gz WCYQMMHEOSYTDB-UONOGXRCSA-N 2 2 271.364 3.088 20 30 CGEDLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(C#N)c1 ZINC000902747946 621424301 /nfs/dbraw/zinc/42/43/01/621424301.db2.gz JHMTUXRVZYAIEE-OKZBNKHCSA-N 2 2 283.419 3.226 20 30 CGEDLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(C#N)c1 ZINC000902747946 621424303 /nfs/dbraw/zinc/42/43/03/621424303.db2.gz JHMTUXRVZYAIEE-OKZBNKHCSA-N 2 2 283.419 3.226 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3cc(C)ccc32)CC1 ZINC000765834970 627274007 /nfs/dbraw/zinc/27/40/07/627274007.db2.gz TXFAKYQRDBSYSU-SFHVURJKSA-N 2 2 270.420 3.222 20 30 CGEDLP C=CCCCCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000806168138 630552339 /nfs/dbraw/zinc/55/23/39/630552339.db2.gz VITHGPMWVXMLQL-HOCLYGCPSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCCCCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000806168138 630552344 /nfs/dbraw/zinc/55/23/44/630552344.db2.gz VITHGPMWVXMLQL-HOCLYGCPSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000883172090 636565732 /nfs/dbraw/zinc/56/57/32/636565732.db2.gz UNXSHSFVQIIMQY-WMZOPIPTSA-N 2 2 283.419 3.439 20 30 CGEDLP C#CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000155763936 639948175 /nfs/dbraw/zinc/94/81/75/639948175.db2.gz NXMVCXJNZTZZJD-UHFFFAOYSA-N 2 2 279.387 3.250 20 30 CGEDLP C#CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000155763936 639948188 /nfs/dbraw/zinc/94/81/88/639948188.db2.gz NXMVCXJNZTZZJD-UHFFFAOYSA-N 2 2 279.387 3.250 20 30 CGEDLP C[NH+]1CCC([N@H+](C2CCCC2)[C@H]2CC[C@H](C#N)C2)CC1 ZINC001254680772 806484898 /nfs/dbraw/zinc/48/48/98/806484898.db2.gz ZWAJHBMKMAGIMB-YOEHRIQHSA-N 2 2 275.440 3.017 20 30 CGEDLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@H]2CC[C@H](C#N)C2)CC1 ZINC001254680772 806484903 /nfs/dbraw/zinc/48/49/03/806484903.db2.gz ZWAJHBMKMAGIMB-YOEHRIQHSA-N 2 2 275.440 3.017 20 30 CGEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001255164491 806562899 /nfs/dbraw/zinc/56/28/99/806562899.db2.gz KUBWQNMGWLEONE-CVEARBPZSA-N 2 2 275.440 3.089 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246025016 804101040 /nfs/dbraw/zinc/10/10/40/804101040.db2.gz KBVPMFOHNLZDQU-QZTJIDSGSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246025016 804101045 /nfs/dbraw/zinc/10/10/45/804101045.db2.gz KBVPMFOHNLZDQU-QZTJIDSGSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246090001 804122142 /nfs/dbraw/zinc/12/21/42/804122142.db2.gz UOQFQDWCTDAHRF-CVEARBPZSA-N 2 2 270.461 3.094 20 30 CGEDLP C=C1C[C@@H]2CC([NH2+]C[C@H]([NH3+])c3ccccc3)C[C@H](C1)C2 ZINC001246278416 804254917 /nfs/dbraw/zinc/25/49/17/804254917.db2.gz GNKPDZHRXNUJAK-MPBLMAKGSA-N 2 2 270.420 3.411 20 30 CGEDLP CCCCCCCC[C@H](CC)[NH2+][C@H](C)[C@H]1C[NH2+]CCO1 ZINC001246290203 804262520 /nfs/dbraw/zinc/26/25/20/804262520.db2.gz FEVDXWGMRMGFOB-IXDOHACOSA-N 2 2 284.488 3.482 20 30 CGEDLP Cc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1C#N ZINC001139727792 804269658 /nfs/dbraw/zinc/26/96/58/804269658.db2.gz YOOGIINVFQZGHR-UHFFFAOYSA-N 2 2 285.435 3.171 20 30 CGEDLP Cc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1C#N ZINC001139727792 804269666 /nfs/dbraw/zinc/26/96/66/804269666.db2.gz YOOGIINVFQZGHR-UHFFFAOYSA-N 2 2 285.435 3.171 20 30 CGEDLP C=CCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246786000 804511401 /nfs/dbraw/zinc/51/14/01/804511401.db2.gz CJBPBMXDYNFFMH-DOTOQJQBSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246786000 804511409 /nfs/dbraw/zinc/51/14/09/804511409.db2.gz CJBPBMXDYNFFMH-DOTOQJQBSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CCC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246786002 804512026 /nfs/dbraw/zinc/51/20/26/804512026.db2.gz CJBPBMXDYNFFMH-RDJZCZTQSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CCC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246786002 804512030 /nfs/dbraw/zinc/51/20/30/804512030.db2.gz CJBPBMXDYNFFMH-RDJZCZTQSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CCC[C@@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001258735926 807581945 /nfs/dbraw/zinc/58/19/45/807581945.db2.gz GCDGDVHWZWYQAK-CABCVRRESA-N 2 2 260.381 3.198 20 30 CGEDLP C=CCC[C@@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001258735926 807581950 /nfs/dbraw/zinc/58/19/50/807581950.db2.gz GCDGDVHWZWYQAK-CABCVRRESA-N 2 2 260.381 3.198 20 30 CGEDLP C#CC[N@H+]([C@@H]1CCc2ccccc21)C1CC[NH+](CC)CC1 ZINC001169258583 807617073 /nfs/dbraw/zinc/61/70/73/807617073.db2.gz NKJQPZRLWZRBSZ-LJQANCHMSA-N 2 2 282.431 3.093 20 30 CGEDLP C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1CC[NH+](CC)CC1 ZINC001169258583 807617075 /nfs/dbraw/zinc/61/70/75/807617075.db2.gz NKJQPZRLWZRBSZ-LJQANCHMSA-N 2 2 282.431 3.093 20 30 CGEDLP C[C@@H](CCCC#N)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172506502 808363297 /nfs/dbraw/zinc/36/32/97/808363297.db2.gz VFKZXMHJUPWBHI-HNNXBMFYSA-N 2 2 277.456 3.408 20 30 CGEDLP C[C@@H](CCCC#N)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001172506502 808363305 /nfs/dbraw/zinc/36/33/05/808363305.db2.gz VFKZXMHJUPWBHI-HNNXBMFYSA-N 2 2 277.456 3.408 20 30 CGEDLP CC[NH+](CC)C1CCC([NH2+][C@](C)(C#N)C(C)C)CC1 ZINC001173101554 808509426 /nfs/dbraw/zinc/50/94/26/808509426.db2.gz KBUHAVYOQLSQMY-UYSNPLJNSA-N 2 2 265.445 3.167 20 30 CGEDLP Cc1ccc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c(C#N)c1 ZINC001242593505 823050704 /nfs/dbraw/zinc/05/07/04/823050704.db2.gz SHFRSQJLCHPQPI-QGZVFWFLSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c(C#N)c1 ZINC001242593505 823050709 /nfs/dbraw/zinc/05/07/09/823050709.db2.gz SHFRSQJLCHPQPI-QGZVFWFLSA-N 2 2 291.398 3.067 20 30 CGEDLP CCCCCCCCCCC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001210398970 814445693 /nfs/dbraw/zinc/44/56/93/814445693.db2.gz ITWLBXYLHKMPFI-INIZCTEOSA-N 2 2 270.461 3.177 20 30 CGEDLP CCCCCCCCCCC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001210398970 814445695 /nfs/dbraw/zinc/44/56/95/814445695.db2.gz ITWLBXYLHKMPFI-INIZCTEOSA-N 2 2 270.461 3.177 20 30 CGEDLP C#CCC1([NH2+]CC[N@H+]2C[C@H](C)C[C@H](C)C2)CCCCC1 ZINC001308105270 933050488 /nfs/dbraw/zinc/05/04/88/933050488.db2.gz JMOJGUKJUZWGTA-CALCHBBNSA-N 2 2 276.468 3.280 20 30 CGEDLP C#CCC1([NH2+]CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCCCC1 ZINC001308105270 933050494 /nfs/dbraw/zinc/05/04/94/933050494.db2.gz JMOJGUKJUZWGTA-CALCHBBNSA-N 2 2 276.468 3.280 20 30 CGEDLP C[C@]1(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCC[NH2+]C1 ZINC001576502802 962464128 /nfs/dbraw/zinc/46/41/28/962464128.db2.gz HPPIIOAGPMTOFD-OTWHNJEPSA-N 2 2 297.446 3.148 20 30 CGEDLP C[C@]1(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CCC[NH2+]C1 ZINC001576502802 962464132 /nfs/dbraw/zinc/46/41/32/962464132.db2.gz HPPIIOAGPMTOFD-OTWHNJEPSA-N 2 2 297.446 3.148 20 30 CGEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000624077763 349965336 /nfs/dbraw/zinc/96/53/36/349965336.db2.gz AMQAAIFGNBDHSK-GDBMZVCRSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000624077763 349965340 /nfs/dbraw/zinc/96/53/40/349965340.db2.gz AMQAAIFGNBDHSK-GDBMZVCRSA-N 2 2 250.430 3.338 20 30 CGEDLP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593692309 347103769 /nfs/dbraw/zinc/10/37/69/347103769.db2.gz APKSBQPXRBFORO-KXBFYZLASA-N 2 2 297.446 3.301 20 30 CGEDLP CC1(C)CC[C@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593723813 347108666 /nfs/dbraw/zinc/10/86/66/347108666.db2.gz ZYYWCPWUELRNCV-GOSISDBHSA-N 2 2 297.446 3.301 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[N@@H+]1C1CC1 ZINC000594497160 347179271 /nfs/dbraw/zinc/17/92/71/347179271.db2.gz DDOOIAWKKYYRPX-PBHICJAKSA-N 2 2 297.446 3.203 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[N@H+]1C1CC1 ZINC000594497160 347179273 /nfs/dbraw/zinc/17/92/73/347179273.db2.gz DDOOIAWKKYYRPX-PBHICJAKSA-N 2 2 297.446 3.203 20 30 CGEDLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(C#N)c1 ZINC000594519814 347188032 /nfs/dbraw/zinc/18/80/32/347188032.db2.gz LNRNFIPRMNFGIV-JCGIZDLHSA-N 2 2 283.419 3.226 20 30 CGEDLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(C#N)c1 ZINC000594519814 347188033 /nfs/dbraw/zinc/18/80/33/347188033.db2.gz LNRNFIPRMNFGIV-JCGIZDLHSA-N 2 2 283.419 3.226 20 30 CGEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2ccc(C#N)cc2)C1 ZINC000595096870 347282479 /nfs/dbraw/zinc/28/24/79/347282479.db2.gz NGIWGTWBUCLVOA-DLBZAZTESA-N 2 2 271.408 3.083 20 30 CGEDLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2ccc(C#N)cc2)C1 ZINC000595096870 347282480 /nfs/dbraw/zinc/28/24/80/347282480.db2.gz NGIWGTWBUCLVOA-DLBZAZTESA-N 2 2 271.408 3.083 20 30 CGEDLP Cc1[nH+]cc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)n1C ZINC000596983949 347524775 /nfs/dbraw/zinc/52/47/75/347524775.db2.gz KIQALTXEMCWKCU-UHFFFAOYSA-N 2 2 296.418 3.258 20 30 CGEDLP Cc1[nH+]cc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n1C ZINC000596983949 347524779 /nfs/dbraw/zinc/52/47/79/347524779.db2.gz KIQALTXEMCWKCU-UHFFFAOYSA-N 2 2 296.418 3.258 20 30 CGEDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000600709229 347829530 /nfs/dbraw/zinc/82/95/30/347829530.db2.gz GPQMCCZEQDPIEY-RCCFBDPRSA-N 2 2 283.419 3.056 20 30 CGEDLP Cc1ccc([C@@H](C[NH2+]C2CCC(C#N)CC2)[NH+](C)C)cc1 ZINC000602523362 347975597 /nfs/dbraw/zinc/97/55/97/347975597.db2.gz BNGWLLBVWXOXMC-VMWRSERWSA-N 2 2 285.435 3.270 20 30 CGEDLP N#CC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602644643 348000014 /nfs/dbraw/zinc/00/00/14/348000014.db2.gz ZSOWPNNLRSLJRV-FUHWJXTLSA-N 2 2 295.430 3.248 20 30 CGEDLP N#CC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602644643 348000016 /nfs/dbraw/zinc/00/00/16/348000016.db2.gz ZSOWPNNLRSLJRV-FUHWJXTLSA-N 2 2 295.430 3.248 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980936 348051481 /nfs/dbraw/zinc/05/14/81/348051481.db2.gz XQGFLMLXVOYWQO-CRAIPNDOSA-N 2 2 294.402 3.305 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980936 348051485 /nfs/dbraw/zinc/05/14/85/348051485.db2.gz XQGFLMLXVOYWQO-CRAIPNDOSA-N 2 2 294.402 3.305 20 30 CGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H]1CCOC(C)(C)C1)C(C)C ZINC000634678055 351563455 /nfs/dbraw/zinc/56/34/55/351563455.db2.gz HIGZRNQNDWNBTQ-SJORKVTESA-N 2 2 294.483 3.232 20 30 CGEDLP N#Cc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000048040619 369335024 /nfs/dbraw/zinc/33/50/24/369335024.db2.gz TZDBMEYJXHSDMF-UHFFFAOYSA-N 2 2 288.354 3.034 20 30 CGEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000097139210 370229083 /nfs/dbraw/zinc/22/90/83/370229083.db2.gz NQJXXUDGFMFLDS-OAHLLOKOSA-N 2 2 288.439 3.005 20 30 CGEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000097139210 370229088 /nfs/dbraw/zinc/22/90/88/370229088.db2.gz NQJXXUDGFMFLDS-OAHLLOKOSA-N 2 2 288.439 3.005 20 30 CGEDLP C=C(C)COCC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000134506536 371343197 /nfs/dbraw/zinc/34/31/97/371343197.db2.gz AUQSQOZVVCQNDP-AEFFLSMTSA-N 2 2 288.435 3.004 20 30 CGEDLP C=C(C)COCC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000134506536 371343204 /nfs/dbraw/zinc/34/32/04/371343204.db2.gz AUQSQOZVVCQNDP-AEFFLSMTSA-N 2 2 288.435 3.004 20 30 CGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000447562620 373452909 /nfs/dbraw/zinc/45/29/09/373452909.db2.gz MOLYVMPCZIIYGY-NEPXVJNWSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000447562620 373452915 /nfs/dbraw/zinc/45/29/15/373452915.db2.gz MOLYVMPCZIIYGY-NEPXVJNWSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000447562618 373453450 /nfs/dbraw/zinc/45/34/50/373453450.db2.gz MOLYVMPCZIIYGY-FPAYPSAMSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000447562618 373453461 /nfs/dbraw/zinc/45/34/61/373453461.db2.gz MOLYVMPCZIIYGY-FPAYPSAMSA-N 2 2 297.446 3.494 20 30 CGEDLP CC1(C#N)CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000449129211 373663824 /nfs/dbraw/zinc/66/38/24/373663824.db2.gz ZPWHJHCUFAKHEX-UHFFFAOYSA-N 2 2 286.423 3.336 20 30 CGEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449444460 373719308 /nfs/dbraw/zinc/71/93/08/373719308.db2.gz AOYAASVLBYRZIP-CAMMJAKZSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449444460 373719316 /nfs/dbraw/zinc/71/93/16/373719316.db2.gz AOYAASVLBYRZIP-CAMMJAKZSA-N 2 2 297.446 3.494 20 30 CGEDLP C=CC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181971898 374198723 /nfs/dbraw/zinc/19/87/23/374198723.db2.gz IRDOBGBDKJXXNA-HNNXBMFYSA-N 2 2 283.419 3.077 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185885460 374761651 /nfs/dbraw/zinc/76/16/51/374761651.db2.gz OCDAJCALSDQWOH-HUUCEWRRSA-N 2 2 282.391 3.017 20 30 CGEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)c(F)c1 ZINC000192043491 375691507 /nfs/dbraw/zinc/69/15/07/375691507.db2.gz FJSOHMMQHNPBHO-INIZCTEOSA-N 2 2 289.398 3.004 20 30 CGEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)c(F)c1 ZINC000192043491 375691512 /nfs/dbraw/zinc/69/15/12/375691512.db2.gz FJSOHMMQHNPBHO-INIZCTEOSA-N 2 2 289.398 3.004 20 30 CGEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)c(F)c1 ZINC000192043491 375691515 /nfs/dbraw/zinc/69/15/15/375691515.db2.gz FJSOHMMQHNPBHO-INIZCTEOSA-N 2 2 289.398 3.004 20 30 CGEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)c(F)c1 ZINC000192043491 375691521 /nfs/dbraw/zinc/69/15/21/375691521.db2.gz FJSOHMMQHNPBHO-INIZCTEOSA-N 2 2 289.398 3.004 20 30 CGEDLP C=C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000336389927 375785744 /nfs/dbraw/zinc/78/57/44/375785744.db2.gz OUCRFNSZJXVESA-UHFFFAOYSA-N 2 2 259.378 3.086 20 30 CGEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000336858419 376014881 /nfs/dbraw/zinc/01/48/81/376014881.db2.gz YUNUIJSBIRATQL-QYZOEREBSA-N 2 2 297.446 3.242 20 30 CGEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000336858419 376014884 /nfs/dbraw/zinc/01/48/84/376014884.db2.gz YUNUIJSBIRATQL-QYZOEREBSA-N 2 2 297.446 3.242 20 30 CGEDLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000336858419 376014890 /nfs/dbraw/zinc/01/48/90/376014890.db2.gz YUNUIJSBIRATQL-QYZOEREBSA-N 2 2 297.446 3.242 20 30 CGEDLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000336858419 376014894 /nfs/dbraw/zinc/01/48/94/376014894.db2.gz YUNUIJSBIRATQL-QYZOEREBSA-N 2 2 297.446 3.242 20 30 CGEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000336858416 376015267 /nfs/dbraw/zinc/01/52/67/376015267.db2.gz YUNUIJSBIRATQL-CEXWTWQISA-N 2 2 297.446 3.242 20 30 CGEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000336858416 376015278 /nfs/dbraw/zinc/01/52/78/376015278.db2.gz YUNUIJSBIRATQL-CEXWTWQISA-N 2 2 297.446 3.242 20 30 CGEDLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000336858416 376015287 /nfs/dbraw/zinc/01/52/87/376015287.db2.gz YUNUIJSBIRATQL-CEXWTWQISA-N 2 2 297.446 3.242 20 30 CGEDLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000336858416 376015293 /nfs/dbraw/zinc/01/52/93/376015293.db2.gz YUNUIJSBIRATQL-CEXWTWQISA-N 2 2 297.446 3.242 20 30 CGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000340921712 377322168 /nfs/dbraw/zinc/32/21/68/377322168.db2.gz WLRRNBDZDMSZMP-XJKSGUPXSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000340921712 377322180 /nfs/dbraw/zinc/32/21/80/377322180.db2.gz WLRRNBDZDMSZMP-XJKSGUPXSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000340921712 377322189 /nfs/dbraw/zinc/32/21/89/377322189.db2.gz WLRRNBDZDMSZMP-XJKSGUPXSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000340921712 377322194 /nfs/dbraw/zinc/32/21/94/377322194.db2.gz WLRRNBDZDMSZMP-XJKSGUPXSA-N 2 2 289.398 3.002 20 30 CGEDLP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc(C#N)c2F)CC1 ZINC000340945474 377331155 /nfs/dbraw/zinc/33/11/55/377331155.db2.gz CTUBVTHWFOBGJT-UHFFFAOYSA-N 2 2 289.398 3.002 20 30 CGEDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc(C#N)c2F)CC1 ZINC000340945474 377331163 /nfs/dbraw/zinc/33/11/63/377331163.db2.gz CTUBVTHWFOBGJT-UHFFFAOYSA-N 2 2 289.398 3.002 20 30 CGEDLP Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000249129234 377467672 /nfs/dbraw/zinc/46/76/72/377467672.db2.gz KOHSJNJWRUVOQN-KSSFIOAISA-N 2 2 294.402 3.146 20 30 CGEDLP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000249129234 377467676 /nfs/dbraw/zinc/46/76/76/377467676.db2.gz KOHSJNJWRUVOQN-KSSFIOAISA-N 2 2 294.402 3.146 20 30 CGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CCCC#N ZINC000270093914 378306084 /nfs/dbraw/zinc/30/60/84/378306084.db2.gz AXOJSFQCIWOGMV-HNNXBMFYSA-N 2 2 282.391 3.113 20 30 CGEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CCCC#N ZINC000270093914 378306088 /nfs/dbraw/zinc/30/60/88/378306088.db2.gz AXOJSFQCIWOGMV-HNNXBMFYSA-N 2 2 282.391 3.113 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000274977756 378924288 /nfs/dbraw/zinc/92/42/88/378924288.db2.gz BBFRFKOWZQIPCI-CZUORRHYSA-N 2 2 280.375 3.222 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000274977756 378924292 /nfs/dbraw/zinc/92/42/92/378924292.db2.gz BBFRFKOWZQIPCI-CZUORRHYSA-N 2 2 280.375 3.222 20 30 CGEDLP C=C(C)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000351734150 379741321 /nfs/dbraw/zinc/74/13/21/379741321.db2.gz GVHUKUPVVBQRIX-CQSZACIVSA-N 2 2 255.365 3.489 20 30 CGEDLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(C#N)cc1 ZINC000354291031 380388171 /nfs/dbraw/zinc/38/81/71/380388171.db2.gz ZNDZEZOZPDDBCD-CYBMUJFWSA-N 2 2 276.343 3.057 20 30 CGEDLP C=C(C)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282032477 392275180 /nfs/dbraw/zinc/27/51/80/392275180.db2.gz KZXCSENAHVJFCA-OAHLLOKOSA-N 2 2 273.424 3.365 20 30 CGEDLP C=C(C)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282032477 392275183 /nfs/dbraw/zinc/27/51/83/392275183.db2.gz KZXCSENAHVJFCA-OAHLLOKOSA-N 2 2 273.424 3.365 20 30 CGEDLP C#CCOc1ccccc1C[NH2+]CCCc1c[nH+]ccc1C ZINC000290434415 392448188 /nfs/dbraw/zinc/44/81/88/392448188.db2.gz RVKUBWZOQUCFKR-UHFFFAOYSA-N 2 2 294.398 3.124 20 30 CGEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000360837958 393595754 /nfs/dbraw/zinc/59/57/54/393595754.db2.gz SNEFTFGFHKULQA-GOSISDBHSA-N 2 2 283.419 3.011 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000677131211 543435194 /nfs/dbraw/zinc/43/51/94/543435194.db2.gz OJLKAIGQLLITOG-KRWDZBQOSA-N 2 2 292.373 3.192 20 30 CGEDLP C=C[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806767 543466554 /nfs/dbraw/zinc/46/65/54/543466554.db2.gz NFOCSBWGIOLNEK-GOEBONIOSA-N 2 2 258.409 3.204 20 30 CGEDLP C=C[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806767 543466557 /nfs/dbraw/zinc/46/65/57/543466557.db2.gz NFOCSBWGIOLNEK-GOEBONIOSA-N 2 2 258.409 3.204 20 30 CGEDLP C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678234233 543498898 /nfs/dbraw/zinc/49/88/98/543498898.db2.gz ATQQIXCYCKHZGC-QGZVFWFLSA-N 2 2 297.402 3.285 20 30 CGEDLP C=CCOc1ccccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678234233 543498899 /nfs/dbraw/zinc/49/88/99/543498899.db2.gz ATQQIXCYCKHZGC-QGZVFWFLSA-N 2 2 297.402 3.285 20 30 CGEDLP N#Cc1csc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093564119 287117512 /nfs/dbraw/zinc/11/75/12/287117512.db2.gz AXKXLHMKHLEIIQ-OAHLLOKOSA-N 2 2 289.448 3.070 20 30 CGEDLP N#Cc1csc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000093564119 287117514 /nfs/dbraw/zinc/11/75/14/287117514.db2.gz AXKXLHMKHLEIIQ-OAHLLOKOSA-N 2 2 289.448 3.070 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000657527649 419298824 /nfs/dbraw/zinc/29/88/24/419298824.db2.gz XCJALLUBFGVJSA-KFWWJZLASA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000657527649 419298825 /nfs/dbraw/zinc/29/88/25/419298825.db2.gz XCJALLUBFGVJSA-KFWWJZLASA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000657561528 419304683 /nfs/dbraw/zinc/30/46/83/419304683.db2.gz BBJHDRXECOVDHD-KFWWJZLASA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000657561528 419304686 /nfs/dbraw/zinc/30/46/86/419304686.db2.gz BBJHDRXECOVDHD-KFWWJZLASA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc3cnccc3o2)CC1 ZINC000657876666 419399178 /nfs/dbraw/zinc/39/91/78/419399178.db2.gz ZBOSTVYQAUWWLP-CYBMUJFWSA-N 2 2 285.391 3.129 20 30 CGEDLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449289859 260366596 /nfs/dbraw/zinc/36/65/96/260366596.db2.gz CIHFPEDWFMOBSU-ISXOHVOVSA-N 2 2 277.456 3.169 20 30 CGEDLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449289859 260366597 /nfs/dbraw/zinc/36/65/97/260366597.db2.gz CIHFPEDWFMOBSU-ISXOHVOVSA-N 2 2 277.456 3.169 20 30 CGEDLP C=CCCC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000448367473 261129642 /nfs/dbraw/zinc/12/96/42/261129642.db2.gz QGYRUBXYXNUJKW-WMZOPIPTSA-N 2 2 272.436 3.453 20 30 CGEDLP C=CCCC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000448367473 261129643 /nfs/dbraw/zinc/12/96/43/261129643.db2.gz QGYRUBXYXNUJKW-WMZOPIPTSA-N 2 2 272.436 3.453 20 30 CGEDLP C=CCCCC[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000571511036 328129320 /nfs/dbraw/zinc/12/93/20/328129320.db2.gz LTTMMZUIXLXDMZ-INIZCTEOSA-N 2 2 250.430 3.293 20 30 CGEDLP C=CCCCC[N@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000571511036 328129321 /nfs/dbraw/zinc/12/93/21/328129321.db2.gz LTTMMZUIXLXDMZ-INIZCTEOSA-N 2 2 250.430 3.293 20 30 CGEDLP C=C(CC)C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000313479340 327133239 /nfs/dbraw/zinc/13/32/39/327133239.db2.gz GFGGMYDGAAPENB-NVXWUHKLSA-N 2 2 258.409 3.205 20 30 CGEDLP C=C(CC)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000313479340 327133241 /nfs/dbraw/zinc/13/32/41/327133241.db2.gz GFGGMYDGAAPENB-NVXWUHKLSA-N 2 2 258.409 3.205 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000248395981 329892305 /nfs/dbraw/zinc/89/23/05/329892305.db2.gz JWDUFEZQCKTCAH-INMHGKMJSA-N 2 2 277.456 3.311 20 30 CGEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424192631 330323882 /nfs/dbraw/zinc/32/38/82/330323882.db2.gz JKZJCILCUIJNQO-CWLKWCNXSA-N 2 2 283.419 3.104 20 30 CGEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424192631 330323883 /nfs/dbraw/zinc/32/38/83/330323883.db2.gz JKZJCILCUIJNQO-CWLKWCNXSA-N 2 2 283.419 3.104 20 30 CGEDLP C=C(C)CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000379668962 330327062 /nfs/dbraw/zinc/32/70/62/330327062.db2.gz FLXQKCMHRPZGJG-UHFFFAOYSA-N 2 2 260.425 3.453 20 30 CGEDLP C=C(C)CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000379668962 330327063 /nfs/dbraw/zinc/32/70/63/330327063.db2.gz FLXQKCMHRPZGJG-UHFFFAOYSA-N 2 2 260.425 3.453 20 30 CGEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCCC#N)C1 ZINC000088701800 330378468 /nfs/dbraw/zinc/37/84/68/330378468.db2.gz ZHOGMAYJSMYYOB-RDJZCZTQSA-N 2 2 271.408 3.105 20 30 CGEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCCC#N)C1 ZINC000088701800 330378469 /nfs/dbraw/zinc/37/84/69/330378469.db2.gz ZHOGMAYJSMYYOB-RDJZCZTQSA-N 2 2 271.408 3.105 20 30 CGEDLP C=CCCCC[C@@H](C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000449180303 330904206 /nfs/dbraw/zinc/90/42/06/330904206.db2.gz ZPWVSAQWHHLFSO-CABCVRRESA-N 2 2 270.486 3.148 20 30 CGEDLP C=C(C)CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000164425209 331228743 /nfs/dbraw/zinc/22/87/43/331228743.db2.gz UQZIQZKMGZPKEE-QGZVFWFLSA-N 2 2 258.409 3.207 20 30 CGEDLP C=C(C)CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000164425209 331228744 /nfs/dbraw/zinc/22/87/44/331228744.db2.gz UQZIQZKMGZPKEE-QGZVFWFLSA-N 2 2 258.409 3.207 20 30 CGEDLP C=CCCCCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000193328658 333248095 /nfs/dbraw/zinc/24/80/95/333248095.db2.gz JZBOYXBILSIJGY-MRXNPFEDSA-N 2 2 250.430 3.293 20 30 CGEDLP C=CCCCCC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000193328658 333248096 /nfs/dbraw/zinc/24/80/96/333248096.db2.gz JZBOYXBILSIJGY-MRXNPFEDSA-N 2 2 250.430 3.293 20 30 CGEDLP C=CCC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccco1 ZINC000530218932 333528837 /nfs/dbraw/zinc/52/88/37/333528837.db2.gz XTUPXBLPXAUGKL-HIFRSBDPSA-N 2 2 260.381 3.161 20 30 CGEDLP Clc1ccccc1C#CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000135131880 334117028 /nfs/dbraw/zinc/11/70/28/334117028.db2.gz NRXIVPOCMXWSPB-UHFFFAOYSA-N 2 2 299.805 3.225 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C)cc(Cl)c2)CC1 ZINC000565376201 334557994 /nfs/dbraw/zinc/55/79/94/334557994.db2.gz OVHHJKTWORMPDK-UHFFFAOYSA-N 2 2 278.827 3.388 20 30 CGEDLP C=CC(C)(C)C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000384860361 336133096 /nfs/dbraw/zinc/13/30/96/336133096.db2.gz ODSFBANFAGLFBS-UHFFFAOYSA-N 2 2 269.392 3.483 20 30 CGEDLP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000361455943 534189338 /nfs/dbraw/zinc/18/93/38/534189338.db2.gz GWIJPSBFASPOEV-DNVCBOLYSA-N 2 2 297.446 3.301 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)C1CC1 ZINC000747857473 572951755 /nfs/dbraw/zinc/95/17/55/572951755.db2.gz OSGLBMWJRQOKLR-GOEBONIOSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CC[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccncc1 ZINC000925073366 619546388 /nfs/dbraw/zinc/54/63/88/619546388.db2.gz BOKXKUAZGYDYOB-BZSNNMDCSA-N 2 2 285.435 3.305 20 30 CGEDLP C=CC[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccncc1 ZINC000925073366 619546391 /nfs/dbraw/zinc/54/63/91/619546391.db2.gz BOKXKUAZGYDYOB-BZSNNMDCSA-N 2 2 285.435 3.305 20 30 CGEDLP N#CC1(CCCC[N@@H+](CC[NH3+])Cc2ccccc2)CCC1 ZINC000903743356 621801808 /nfs/dbraw/zinc/80/18/08/621801808.db2.gz JBAUEBFHBXGCDG-UHFFFAOYSA-N 2 2 285.435 3.311 20 30 CGEDLP N#CC1(CCCC[N@H+](CC[NH3+])Cc2ccccc2)CCC1 ZINC000903743356 621801809 /nfs/dbraw/zinc/80/18/09/621801809.db2.gz JBAUEBFHBXGCDG-UHFFFAOYSA-N 2 2 285.435 3.311 20 30 CGEDLP N#CC1(CCCC[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CCC1 ZINC000903789202 621809096 /nfs/dbraw/zinc/80/90/96/621809096.db2.gz UNQOXSYATWYTDX-QGZVFWFLSA-N 2 2 275.440 3.069 20 30 CGEDLP N#CC1(CCCC[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)CCC1 ZINC000903789202 621809098 /nfs/dbraw/zinc/80/90/98/621809098.db2.gz UNQOXSYATWYTDX-QGZVFWFLSA-N 2 2 275.440 3.069 20 30 CGEDLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000795798178 629717244 /nfs/dbraw/zinc/71/72/44/629717244.db2.gz ZESLMLVTTWPGQL-DNVCBOLYSA-N 2 2 297.446 3.400 20 30 CGEDLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000795798178 629717250 /nfs/dbraw/zinc/71/72/50/629717250.db2.gz ZESLMLVTTWPGQL-DNVCBOLYSA-N 2 2 297.446 3.400 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2C)CC1 ZINC000815577073 631798231 /nfs/dbraw/zinc/79/82/31/631798231.db2.gz GIASFDQLPKHROW-CQSZACIVSA-N 2 2 276.399 3.435 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccco1 ZINC000925779319 638610123 /nfs/dbraw/zinc/61/01/23/638610123.db2.gz WYOQDHWDWRQFHZ-OLZOCXBDSA-N 2 2 284.350 3.121 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001245988847 804096255 /nfs/dbraw/zinc/09/62/55/804096255.db2.gz XIENJAFJLUGFSQ-SJORKVTESA-N 2 2 296.499 3.220 20 30 CGEDLP CCCCCCC[C@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246088917 804121942 /nfs/dbraw/zinc/12/19/42/804121942.db2.gz MGKIDWQENHKJPM-SJORKVTESA-N 2 2 284.488 3.340 20 30 CGEDLP CCCCCCCCCC[C@H](C)[NH2+][C@@H]1COC[C@@H]1[NH3+] ZINC001246123465 804153249 /nfs/dbraw/zinc/15/32/49/804153249.db2.gz UTWLUJBEZACYFY-HRCADAONSA-N 2 2 270.461 3.221 20 30 CGEDLP CCCCCCCCC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246238519 804229797 /nfs/dbraw/zinc/22/97/97/804229797.db2.gz FXJBKFWSYABKRO-JYJNAYRXSA-N 2 2 270.461 3.092 20 30 CGEDLP CCc1cc(C#N)ccc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001248753161 804984758 /nfs/dbraw/zinc/98/47/58/804984758.db2.gz VEMTUIQLPYQUEZ-UHFFFAOYSA-N 2 2 299.462 3.425 20 30 CGEDLP CCc1cc(C#N)ccc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001248753161 804984765 /nfs/dbraw/zinc/98/47/65/804984765.db2.gz VEMTUIQLPYQUEZ-UHFFFAOYSA-N 2 2 299.462 3.425 20 30 CGEDLP C=CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001258723471 807571632 /nfs/dbraw/zinc/57/16/32/807571632.db2.gz VZZIXHCYNNNSEJ-OAHLLOKOSA-N 2 2 288.435 3.301 20 30 CGEDLP C=C[C@@H]([NH2+]C1CC[NH+](CCC)CC1)c1ccccc1 ZINC001258770429 807603745 /nfs/dbraw/zinc/60/37/45/807603745.db2.gz JLOCUSLODROTIP-QGZVFWFLSA-N 2 2 258.409 3.378 20 30 CGEDLP C=CCOC1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC001173317406 808608904 /nfs/dbraw/zinc/60/89/04/808608904.db2.gz WTSYNRPQBMXSIX-UPTPFMHGSA-N 2 2 292.467 3.107 20 30 CGEDLP C=CCOC1CCC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC001173317406 808608907 /nfs/dbraw/zinc/60/89/07/808608907.db2.gz WTSYNRPQBMXSIX-UPTPFMHGSA-N 2 2 292.467 3.107 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C)sc2C)CC1 ZINC001177683549 809815032 /nfs/dbraw/zinc/81/50/32/809815032.db2.gz JQKGRSDTKCIOKR-UHFFFAOYSA-N 2 2 264.438 3.105 20 30 CGEDLP CCCCCCC[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001201787748 811964415 /nfs/dbraw/zinc/96/44/15/811964415.db2.gz KQPOXHLKBLQPCV-UHFFFAOYSA-N 2 2 290.455 3.186 20 30 CGEDLP Cc1ccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c(C)[nH+]1 ZINC001203367586 812326838 /nfs/dbraw/zinc/32/68/38/812326838.db2.gz MXKOONTYPVFVQR-UHFFFAOYSA-N 2 2 298.415 3.363 20 30 CGEDLP Cc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c(C)[nH+]1 ZINC001203367586 812326844 /nfs/dbraw/zinc/32/68/44/812326844.db2.gz MXKOONTYPVFVQR-UHFFFAOYSA-N 2 2 298.415 3.363 20 30 CGEDLP C=CCCCCCCCC[N@@H+]1CCOCC12CC[NH2+]CC2 ZINC001235128018 819013727 /nfs/dbraw/zinc/01/37/27/819013727.db2.gz ANZINDQMDHZGSH-UHFFFAOYSA-N 2 2 294.483 3.358 20 30 CGEDLP C=CCCCCCCCC[N@H+]1CCOCC12CC[NH2+]CC2 ZINC001235128018 819013736 /nfs/dbraw/zinc/01/37/36/819013736.db2.gz ANZINDQMDHZGSH-UHFFFAOYSA-N 2 2 294.483 3.358 20 30 CGEDLP CCCCCCC/C=C/C[N@@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235257434 819054198 /nfs/dbraw/zinc/05/41/98/819054198.db2.gz IFWSCHSVFHQQJL-GUFYHEMZSA-N 2 2 250.430 3.197 20 30 CGEDLP CCCCCCC/C=C/C[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235257434 819054201 /nfs/dbraw/zinc/05/42/01/819054201.db2.gz IFWSCHSVFHQQJL-GUFYHEMZSA-N 2 2 250.430 3.197 20 30 CGEDLP C=CCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235909402 819218305 /nfs/dbraw/zinc/21/83/05/819218305.db2.gz AUDVIZGJSKWMKI-LSDHHAIUSA-N 2 2 256.409 3.274 20 30 CGEDLP C=CCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235909402 819218308 /nfs/dbraw/zinc/21/83/08/819218308.db2.gz AUDVIZGJSKWMKI-LSDHHAIUSA-N 2 2 256.409 3.274 20 30 CGEDLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(C#Cc2ccccc2)cc1 ZINC001236244497 819402423 /nfs/dbraw/zinc/40/24/23/819402423.db2.gz BWJGFIDPGHURFQ-HXUWFJFHSA-N 2 2 290.410 3.010 20 30 CGEDLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(C#Cc2ccccc2)cc1 ZINC001236244497 819402427 /nfs/dbraw/zinc/40/24/27/819402427.db2.gz BWJGFIDPGHURFQ-HXUWFJFHSA-N 2 2 290.410 3.010 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001237379388 819737773 /nfs/dbraw/zinc/73/77/73/819737773.db2.gz BCFXXISZUYQEEJ-KZNAEPCWSA-N 2 2 274.452 3.363 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001237379388 819737776 /nfs/dbraw/zinc/73/77/76/819737776.db2.gz BCFXXISZUYQEEJ-KZNAEPCWSA-N 2 2 274.452 3.363 20 30 CGEDLP C=CCCCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001347840295 936898548 /nfs/dbraw/zinc/89/85/48/936898548.db2.gz RTJBZOAOPLCLBT-OAHLLOKOSA-N 2 2 261.413 3.031 20 30 CGEDLP C=CCCCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001347840295 936898549 /nfs/dbraw/zinc/89/85/49/936898549.db2.gz RTJBZOAOPLCLBT-OAHLLOKOSA-N 2 2 261.413 3.031 20 30 CGEDLP C#CC[N@@H+](CCC[NH+](CC)CC)[C@H]1CCc2ccccc21 ZINC001307430446 932951314 /nfs/dbraw/zinc/95/13/14/932951314.db2.gz WNEFOLCDNGKUJR-IBGZPJMESA-N 2 2 284.447 3.341 20 30 CGEDLP C#CC[N@H+](CCC[NH+](CC)CC)[C@H]1CCc2ccccc21 ZINC001307430446 932951318 /nfs/dbraw/zinc/95/13/18/932951318.db2.gz WNEFOLCDNGKUJR-IBGZPJMESA-N 2 2 284.447 3.341 20 30 CGEDLP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001320878089 934116211 /nfs/dbraw/zinc/11/62/11/934116211.db2.gz ZGSILNYEXVXTKU-YBXZHIRMSA-N 2 2 297.446 3.073 20 30 CGEDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001321623149 934198791 /nfs/dbraw/zinc/19/87/91/934198791.db2.gz UAVYRCVEWUFDQN-JLAWEPINSA-N 2 2 297.446 3.074 20 30 CGEDLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001321623149 934198797 /nfs/dbraw/zinc/19/87/97/934198797.db2.gz UAVYRCVEWUFDQN-JLAWEPINSA-N 2 2 297.446 3.074 20 30 CGEDLP CC[C@H]1CC[C@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593695411 347104593 /nfs/dbraw/zinc/10/45/93/347104593.db2.gz NROGSXBFSWABJF-PKOBYXMFSA-N 2 2 297.446 3.301 20 30 CGEDLP CC[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593695410 347104857 /nfs/dbraw/zinc/10/48/57/347104857.db2.gz NROGSXBFSWABJF-MJGOQNOKSA-N 2 2 297.446 3.301 20 30 CGEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517043 347186453 /nfs/dbraw/zinc/18/64/53/347186453.db2.gz UNVNETRAOPXXGD-KSSFIOAISA-N 2 2 295.430 3.010 20 30 CGEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517043 347186456 /nfs/dbraw/zinc/18/64/56/347186456.db2.gz UNVNETRAOPXXGD-KSSFIOAISA-N 2 2 295.430 3.010 20 30 CGEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594965209 347243867 /nfs/dbraw/zinc/24/38/67/347243867.db2.gz RSWPBHRQTVEHKL-QGZVFWFLSA-N 2 2 297.446 3.204 20 30 CGEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594965209 347243868 /nfs/dbraw/zinc/24/38/68/347243868.db2.gz RSWPBHRQTVEHKL-QGZVFWFLSA-N 2 2 297.446 3.204 20 30 CGEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000595050625 347270292 /nfs/dbraw/zinc/27/02/92/347270292.db2.gz SSNBWSQGBWMMKJ-WBVHZDCISA-N 2 2 283.419 3.008 20 30 CGEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000595050625 347270297 /nfs/dbraw/zinc/27/02/97/347270297.db2.gz SSNBWSQGBWMMKJ-WBVHZDCISA-N 2 2 283.419 3.008 20 30 CGEDLP C[C@@H](CC[NH2+]Cc1cccc(F)c1C#N)[NH+]1CCCCC1 ZINC000602015614 347933061 /nfs/dbraw/zinc/93/30/61/347933061.db2.gz OEMDJUCDKNSWPR-AWEZNQCLSA-N 2 2 289.398 3.051 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccnc2Cl)CC1 ZINC000152977411 188057278 /nfs/dbraw/zinc/05/72/78/188057278.db2.gz ZMAYGSIXWWWVSO-ZDUSSCGKSA-N 2 2 293.842 3.426 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC000177906855 189078476 /nfs/dbraw/zinc/07/84/76/189078476.db2.gz DEXVYFDMYDYJJO-LBPRGKRZSA-N 2 2 280.362 3.266 20 30 CGEDLP CCC(CC)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181390530 189295746 /nfs/dbraw/zinc/29/57/46/189295746.db2.gz OIRCWFLWTCNDEI-UHFFFAOYSA-N 2 2 285.435 3.301 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)C[N@@H+]1C1CC1 ZINC000090665833 370063658 /nfs/dbraw/zinc/06/36/58/370063658.db2.gz HKYXBIGXNVAWJD-KYJSFNMBSA-N 2 2 283.419 3.246 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)C[N@H+]1C1CC1 ZINC000090665833 370063663 /nfs/dbraw/zinc/06/36/63/370063663.db2.gz HKYXBIGXNVAWJD-KYJSFNMBSA-N 2 2 283.419 3.246 20 30 CGEDLP CC(C)(CCC#N)C[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000092785916 370099893 /nfs/dbraw/zinc/09/98/93/370099893.db2.gz PHEHGCFBMHLFLO-MRXNPFEDSA-N 2 2 277.456 3.267 20 30 CGEDLP CC(C)(CCC#N)C[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000092785916 370099899 /nfs/dbraw/zinc/09/98/99/370099899.db2.gz PHEHGCFBMHLFLO-MRXNPFEDSA-N 2 2 277.456 3.267 20 30 CGEDLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000344295549 217137777 /nfs/dbraw/zinc/13/77/77/217137777.db2.gz UEHSLSZPAGQKNJ-AWEZNQCLSA-N 2 2 265.360 3.155 20 30 CGEDLP Cc1ccc(CCC[N@@H+](C)Cc2cccc(C#N)c2)c[nH+]1 ZINC000353377777 220051309 /nfs/dbraw/zinc/05/13/09/220051309.db2.gz FLTNWAXXARHVFC-UHFFFAOYSA-N 2 2 279.387 3.326 20 30 CGEDLP Cc1ccc(CCC[N@H+](C)Cc2cccc(C#N)c2)c[nH+]1 ZINC000353377777 220051312 /nfs/dbraw/zinc/05/13/12/220051312.db2.gz FLTNWAXXARHVFC-UHFFFAOYSA-N 2 2 279.387 3.326 20 30 CGEDLP N#C[C@H]1CC[C@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000442892839 373121156 /nfs/dbraw/zinc/12/11/56/373121156.db2.gz WKJIRGVZVLURBW-IRXDYDNUSA-N 2 2 289.467 3.315 20 30 CGEDLP C=CCC[C@@H](CC)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000446978190 373390229 /nfs/dbraw/zinc/39/02/29/373390229.db2.gz VPCJKURNGXUJTH-GDBMZVCRSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@@H](CC)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000446978190 373390234 /nfs/dbraw/zinc/39/02/34/373390234.db2.gz VPCJKURNGXUJTH-GDBMZVCRSA-N 2 2 250.430 3.338 20 30 CGEDLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)cc1F ZINC000299140606 373469931 /nfs/dbraw/zinc/46/99/31/373469931.db2.gz UGUPDYSSYKVAOX-UHFFFAOYSA-N 2 2 289.398 3.005 20 30 CGEDLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)cc1F ZINC000299140606 373469941 /nfs/dbraw/zinc/46/99/41/373469941.db2.gz UGUPDYSSYKVAOX-UHFFFAOYSA-N 2 2 289.398 3.005 20 30 CGEDLP C[C@H](CC1CC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181743852 374164607 /nfs/dbraw/zinc/16/46/07/374164607.db2.gz CLJNGGNATRRKLS-OAHLLOKOSA-N 2 2 297.446 3.301 20 30 CGEDLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000185831332 374746411 /nfs/dbraw/zinc/74/64/11/374746411.db2.gz DQMCTKJMFKHNFA-BPQIPLTHSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000185831332 374746420 /nfs/dbraw/zinc/74/64/20/374746420.db2.gz DQMCTKJMFKHNFA-BPQIPLTHSA-N 2 2 285.435 3.179 20 30 CGEDLP N#C[C@H]1CCC[C@@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000185752537 374729837 /nfs/dbraw/zinc/72/98/37/374729837.db2.gz JOVBJMINIJTDKI-UHOSZYNNSA-N 2 2 297.446 3.495 20 30 CGEDLP C=CCCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000471586857 375002609 /nfs/dbraw/zinc/00/26/09/375002609.db2.gz SARDPRNJNWTAIA-AEFFLSMTSA-N 2 2 272.436 3.453 20 30 CGEDLP C=CCCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000471586857 375002615 /nfs/dbraw/zinc/00/26/15/375002615.db2.gz SARDPRNJNWTAIA-AEFFLSMTSA-N 2 2 272.436 3.453 20 30 CGEDLP C=CCC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000245909837 376933134 /nfs/dbraw/zinc/93/31/34/376933134.db2.gz DDIRONVTWXCNCC-GDBMZVCRSA-N 2 2 250.430 3.053 20 30 CGEDLP C=CCC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000245909837 376933138 /nfs/dbraw/zinc/93/31/38/376933138.db2.gz DDIRONVTWXCNCC-GDBMZVCRSA-N 2 2 250.430 3.053 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+][C@H](CCC#N)c2ccccc2)C[N@@H+]1C1CC1 ZINC000246348219 377013860 /nfs/dbraw/zinc/01/38/60/377013860.db2.gz HKYXBIGXNVAWJD-UWWQBHOKSA-N 2 2 283.419 3.246 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+][C@H](CCC#N)c2ccccc2)C[N@H+]1C1CC1 ZINC000246348219 377013866 /nfs/dbraw/zinc/01/38/66/377013866.db2.gz HKYXBIGXNVAWJD-UWWQBHOKSA-N 2 2 283.419 3.246 20 30 CGEDLP CC[NH+](CCC#N)Cc1ccccc1C[N@H+](CC)CCC#N ZINC000343741145 378080116 /nfs/dbraw/zinc/08/01/16/378080116.db2.gz NEWFOAMAAUMWHJ-UHFFFAOYSA-N 2 2 298.434 3.158 20 30 CGEDLP CC[NH+](CCC#N)Cc1ccccc1C[N@@H+](CC)CCC#N ZINC000343741145 378080121 /nfs/dbraw/zinc/08/01/21/378080121.db2.gz NEWFOAMAAUMWHJ-UHFFFAOYSA-N 2 2 298.434 3.158 20 30 CGEDLP C=CCC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270367152 378341434 /nfs/dbraw/zinc/34/14/34/378341434.db2.gz SSZDNWVTAJVVKI-OAHLLOKOSA-N 2 2 269.392 3.385 20 30 CGEDLP C=CCC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270367152 378341440 /nfs/dbraw/zinc/34/14/40/378341440.db2.gz SSZDNWVTAJVVKI-OAHLLOKOSA-N 2 2 269.392 3.385 20 30 CGEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(C#N)ccc1F ZINC000266578670 190268650 /nfs/dbraw/zinc/26/86/50/190268650.db2.gz HEFVQMRUTAATIF-MRXNPFEDSA-N 2 2 289.398 3.004 20 30 CGEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc(C#N)ccc1F ZINC000266578670 190268651 /nfs/dbraw/zinc/26/86/51/190268651.db2.gz HEFVQMRUTAATIF-MRXNPFEDSA-N 2 2 289.398 3.004 20 30 CGEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc(C#N)ccc1F ZINC000266578670 190268652 /nfs/dbraw/zinc/26/86/52/190268652.db2.gz HEFVQMRUTAATIF-MRXNPFEDSA-N 2 2 289.398 3.004 20 30 CGEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc(C#N)ccc1F ZINC000266578670 190268653 /nfs/dbraw/zinc/26/86/53/190268653.db2.gz HEFVQMRUTAATIF-MRXNPFEDSA-N 2 2 289.398 3.004 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C)CC2)CC1 ZINC000641719073 380060828 /nfs/dbraw/zinc/06/08/28/380060828.db2.gz KYJYPKOYQWINSW-HUUCEWRRSA-N 2 2 250.430 3.195 20 30 CGEDLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]CCCC#N ZINC000360969766 381638073 /nfs/dbraw/zinc/63/80/73/381638073.db2.gz VIDPWRZRZBJLJW-GOSISDBHSA-N 2 2 299.462 3.353 20 30 CGEDLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]CCCC#N ZINC000360969766 381638076 /nfs/dbraw/zinc/63/80/76/381638076.db2.gz VIDPWRZRZBJLJW-GOSISDBHSA-N 2 2 299.462 3.353 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2cccc(OC)c2)CC1 ZINC000361219185 381661931 /nfs/dbraw/zinc/66/19/31/381661931.db2.gz BJBLKOFYTLFSOU-SFHVURJKSA-N 2 2 288.435 3.386 20 30 CGEDLP Clc1ccc(C#CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374210223 392670805 /nfs/dbraw/zinc/67/08/05/392670805.db2.gz UECMYROLTLTZST-UHFFFAOYSA-N 2 2 299.805 3.294 20 30 CGEDLP Clc1ccc(C#CC[NH+]2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000374210223 392670810 /nfs/dbraw/zinc/67/08/10/392670810.db2.gz UECMYROLTLTZST-UHFFFAOYSA-N 2 2 299.805 3.294 20 30 CGEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000360837959 393595350 /nfs/dbraw/zinc/59/53/50/393595350.db2.gz SNEFTFGFHKULQA-SFHVURJKSA-N 2 2 283.419 3.011 20 30 CGEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266763964 287130871 /nfs/dbraw/zinc/13/08/71/287130871.db2.gz QQTOBVDFILUWPT-ZDUSSCGKSA-N 2 2 280.375 3.222 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000185797931 262071719 /nfs/dbraw/zinc/07/17/19/262071719.db2.gz GFHQTAHPFNLXGO-HIFRSBDPSA-N 2 2 298.365 3.183 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000192605135 262206322 /nfs/dbraw/zinc/20/63/22/262206322.db2.gz XTNGEJRWJAABTI-CVEARBPZSA-N 2 2 296.418 3.407 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000192954000 262212815 /nfs/dbraw/zinc/21/28/15/262212815.db2.gz NDUDZBKMKNTMOJ-GDAAHCPNSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000192954000 262212816 /nfs/dbraw/zinc/21/28/16/262212816.db2.gz NDUDZBKMKNTMOJ-GDAAHCPNSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000193298330 262220132 /nfs/dbraw/zinc/22/01/32/262220132.db2.gz CUWBAMYUPDQWQF-ATLSCFEFSA-N 2 2 285.435 3.350 20 30 CGEDLP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000278159356 263045504 /nfs/dbraw/zinc/04/55/04/263045504.db2.gz BGOFIAJVJSBANY-MAUKXSAKSA-N 2 2 294.402 3.103 20 30 CGEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360835931 267168071 /nfs/dbraw/zinc/16/80/71/267168071.db2.gz LPXBVVCJUJJQPJ-RDTXWAMCSA-N 2 2 294.402 3.201 20 30 CGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341835265 274343031 /nfs/dbraw/zinc/34/30/31/274343031.db2.gz NHNLTOMCOMJIFF-VMDGZTHMSA-N 2 2 295.430 3.008 20 30 CGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000341835265 274343032 /nfs/dbraw/zinc/34/30/32/274343032.db2.gz NHNLTOMCOMJIFF-VMDGZTHMSA-N 2 2 295.430 3.008 20 30 CGEDLP C=CC(C)(C)C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423148968 330172785 /nfs/dbraw/zinc/17/27/85/330172785.db2.gz HAWCWWVALJUZJQ-IRXDYDNUSA-N 2 2 288.435 3.290 20 30 CGEDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000423234695 330181024 /nfs/dbraw/zinc/18/10/24/330181024.db2.gz FUBDKNHYYZUCHV-FHLIZLRMSA-N 2 2 285.435 3.482 20 30 CGEDLP C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[NH+]1CCC(C)CC1 ZINC000449107103 330899421 /nfs/dbraw/zinc/89/94/21/330899421.db2.gz OELHKQHQDKJPFV-GTPINHCMSA-N 2 2 277.456 3.169 20 30 CGEDLP C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163320761 331020472 /nfs/dbraw/zinc/02/04/72/331020472.db2.gz YRZKSVHZSZTJPE-ZIAGYGMSSA-N 2 2 255.365 3.488 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2cccs2)CC1 ZINC000177908042 333065532 /nfs/dbraw/zinc/06/55/32/333065532.db2.gz UABGFELDIFGRAD-CQSZACIVSA-N 2 2 264.438 3.439 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000553102931 334361688 /nfs/dbraw/zinc/36/16/88/334361688.db2.gz NWINEMDYRSEQNS-YCPHGPKFSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000553102931 334361689 /nfs/dbraw/zinc/36/16/89/334361689.db2.gz NWINEMDYRSEQNS-YCPHGPKFSA-N 2 2 250.430 3.194 20 30 CGEDLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358561266 528203455 /nfs/dbraw/zinc/20/34/55/528203455.db2.gz GEDDYNDWDBSFKV-CYBMUJFWSA-N 2 2 289.398 3.222 20 30 CGEDLP C[C@H](CCC#N)CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111205 619734763 /nfs/dbraw/zinc/73/47/63/619734763.db2.gz BSPAOTNXGDUMHL-BZUAXINKSA-N 2 2 286.423 3.098 20 30 CGEDLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000902825358 621456918 /nfs/dbraw/zinc/45/69/18/621456918.db2.gz LWRWDASRKYCHMA-YOEHRIQHSA-N 2 2 271.408 3.083 20 30 CGEDLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000902825358 621456924 /nfs/dbraw/zinc/45/69/24/621456924.db2.gz LWRWDASRKYCHMA-YOEHRIQHSA-N 2 2 271.408 3.083 20 30 CGEDLP C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000793556423 629483289 /nfs/dbraw/zinc/48/32/89/629483289.db2.gz GJQAUWAAXIBFNB-HUUCEWRRSA-N 2 2 261.413 3.313 20 30 CGEDLP C#Cc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000809607953 630761277 /nfs/dbraw/zinc/76/12/77/630761277.db2.gz DLEBKHNUJFKEIM-KRWDZBQOSA-N 2 2 281.403 3.069 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000817942512 632240234 /nfs/dbraw/zinc/24/02/34/632240234.db2.gz PEJHVYTZEGTKRW-ZWKOTPCHSA-N 2 2 287.451 3.087 20 30 CGEDLP C#CC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000829793992 633785597 /nfs/dbraw/zinc/78/55/97/633785597.db2.gz PMGGPHDMRKGHCW-MRXNPFEDSA-N 2 2 279.387 3.108 20 30 CGEDLP C#CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000829793992 633785600 /nfs/dbraw/zinc/78/56/00/633785600.db2.gz PMGGPHDMRKGHCW-MRXNPFEDSA-N 2 2 279.387 3.108 20 30 CGEDLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC1(C#N)CCCCC1 ZINC000880142619 635924504 /nfs/dbraw/zinc/92/45/04/635924504.db2.gz RFLJBFKTPRKDKA-CVEARBPZSA-N 2 2 275.440 3.019 20 30 CGEDLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC1(C#N)CCCCC1 ZINC000880142619 635924506 /nfs/dbraw/zinc/92/45/06/635924506.db2.gz RFLJBFKTPRKDKA-CVEARBPZSA-N 2 2 275.440 3.019 20 30 CGEDLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1(C#N)CCCCC1 ZINC000880142619 635924507 /nfs/dbraw/zinc/92/45/07/635924507.db2.gz RFLJBFKTPRKDKA-CVEARBPZSA-N 2 2 275.440 3.019 20 30 CGEDLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCC1(C#N)CCCCC1 ZINC000880142619 635924509 /nfs/dbraw/zinc/92/45/09/635924509.db2.gz RFLJBFKTPRKDKA-CVEARBPZSA-N 2 2 275.440 3.019 20 30 CGEDLP C=CCCCCC[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000850553937 637119398 /nfs/dbraw/zinc/11/93/98/637119398.db2.gz BCGNMTLQKXCRQG-AEFFLSMTSA-N 2 2 294.483 3.354 20 30 CGEDLP C=C(Br)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886667953 637642257 /nfs/dbraw/zinc/64/22/57/637642257.db2.gz KZCNITLTLWUCMD-UHFFFAOYSA-N 2 2 298.228 3.115 20 30 CGEDLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000886715761 637669292 /nfs/dbraw/zinc/66/92/92/637669292.db2.gz DCGUYRKATZFDJZ-UHFFFAOYSA-N 2 2 297.446 3.317 20 30 CGEDLP N#Cc1cccc(C2([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)c1 ZINC000925926211 638655787 /nfs/dbraw/zinc/65/57/87/638655787.db2.gz MQWUZRMDMJLYAH-MSOLQXFVSA-N 2 2 295.430 3.154 20 30 CGEDLP N#Cc1cccc(C2([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)c1 ZINC000925926211 638655790 /nfs/dbraw/zinc/65/57/90/638655790.db2.gz MQWUZRMDMJLYAH-MSOLQXFVSA-N 2 2 295.430 3.154 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000926746773 638806515 /nfs/dbraw/zinc/80/65/15/638806515.db2.gz UOTWNZNLLAXWOY-GOEBONIOSA-N 2 2 277.456 3.311 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000926746773 638806516 /nfs/dbraw/zinc/80/65/16/638806516.db2.gz UOTWNZNLLAXWOY-GOEBONIOSA-N 2 2 277.456 3.311 20 30 CGEDLP Cc1cccc(NC(=[NH2+])NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000303704339 640839052 /nfs/dbraw/zinc/83/90/52/640839052.db2.gz KBOUQZYPYHOFRO-KRWDZBQOSA-N 2 2 296.418 3.025 20 30 CGEDLP CC[C@@H](CC#N)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716624560 800177326 /nfs/dbraw/zinc/17/73/26/800177326.db2.gz IHLVLWWNHDNZAM-VJANTYMQSA-N 2 2 297.446 3.321 20 30 CGEDLP CC[C@@H](CC#N)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624560 800177330 /nfs/dbraw/zinc/17/73/30/800177330.db2.gz IHLVLWWNHDNZAM-VJANTYMQSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@H](CCCC#N)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001172491201 808350033 /nfs/dbraw/zinc/35/00/33/808350033.db2.gz MDHSHSYQVQJJJF-CYBMUJFWSA-N 2 2 268.364 3.264 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246004335 804097386 /nfs/dbraw/zinc/09/73/86/804097386.db2.gz OSVQMVULCHDDNG-HOTGVXAUSA-N 2 2 284.488 3.076 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246024630 804099620 /nfs/dbraw/zinc/09/96/20/804099620.db2.gz PHJFEDXNLZOTMD-ROUUACIJSA-N 2 2 294.483 3.092 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246024630 804099630 /nfs/dbraw/zinc/09/96/30/804099630.db2.gz PHJFEDXNLZOTMD-ROUUACIJSA-N 2 2 294.483 3.092 20 30 CGEDLP CCCCCCCC[C@@H](CC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246090706 804122113 /nfs/dbraw/zinc/12/21/13/804122113.db2.gz YMMVKKRATUFFIE-CVEARBPZSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246090005 804122548 /nfs/dbraw/zinc/12/25/48/804122548.db2.gz UOQFQDWCTDAHRF-JKSUJKDBSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCC[C@H](CCC)[NH2+][C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001246149707 804169337 /nfs/dbraw/zinc/16/93/37/804169337.db2.gz DYTLCCCUYFIYFR-YVSFHVDLSA-N 2 2 282.472 3.235 20 30 CGEDLP CCCCCCC[C@@H](CC)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246203491 804206854 /nfs/dbraw/zinc/20/68/54/804206854.db2.gz BEAJVDVGUWMXIJ-QLFBSQMISA-N 2 2 258.425 3.415 20 30 CGEDLP CC[NH+](CC)CCC[C@H](C)[NH2+]C1(C#N)CCCCC1 ZINC001258899056 807669132 /nfs/dbraw/zinc/66/91/32/807669132.db2.gz CYZOMICFQHMMDY-HNNXBMFYSA-N 2 2 265.445 3.313 20 30 CGEDLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@](C)(C#N)C(C)C ZINC001258899214 807669245 /nfs/dbraw/zinc/66/92/45/807669245.db2.gz IAVMCMPEKUKCMM-HUUCEWRRSA-N 2 2 253.434 3.025 20 30 CGEDLP CC(C)[N@H+]([C@H](C)Cc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC001171231048 808015041 /nfs/dbraw/zinc/01/50/41/808015041.db2.gz HBJDETJXRAKHGE-MRXNPFEDSA-N 2 2 299.462 3.294 20 30 CGEDLP CC(C)[N@@H+]([C@H](C)Cc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC001171231048 808015050 /nfs/dbraw/zinc/01/50/50/808015050.db2.gz HBJDETJXRAKHGE-MRXNPFEDSA-N 2 2 299.462 3.294 20 30 CGEDLP C[C@H](CCCC#N)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001172478937 808343638 /nfs/dbraw/zinc/34/36/38/808343638.db2.gz IXQKWTJLRHJKOS-SJLPKXTDSA-N 2 2 285.435 3.495 20 30 CGEDLP C=CCCCCC[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001209423812 814026343 /nfs/dbraw/zinc/02/63/43/814026343.db2.gz YTTXLTWAKHIXGR-OALUTQOASA-N 2 2 299.462 3.192 20 30 CGEDLP C=CCCC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236388135 819445839 /nfs/dbraw/zinc/44/58/39/819445839.db2.gz IONROXTYISTJEP-KRWDZBQOSA-N 2 2 276.399 3.346 20 30 CGEDLP C=CCCC[N@H+](Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC001236388135 819445844 /nfs/dbraw/zinc/44/58/44/819445844.db2.gz IONROXTYISTJEP-KRWDZBQOSA-N 2 2 276.399 3.346 20 30 CGEDLP CCc1cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)ccc1C#N ZINC001237160183 819684782 /nfs/dbraw/zinc/68/47/82/819684782.db2.gz HKPGLHMMIKGNFC-IBGZPJMESA-N 2 2 297.446 3.227 20 30 CGEDLP CCc1cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)ccc1C#N ZINC001237160183 819684785 /nfs/dbraw/zinc/68/47/85/819684785.db2.gz HKPGLHMMIKGNFC-IBGZPJMESA-N 2 2 297.446 3.227 20 30 CGEDLP C#CCCCCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001474605017 937869824 /nfs/dbraw/zinc/86/98/24/937869824.db2.gz QXDQMDFANYWOOW-DLBZAZTESA-N 2 2 262.441 3.177 20 30 CGEDLP C#CCCCCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001474605017 937869826 /nfs/dbraw/zinc/86/98/26/937869826.db2.gz QXDQMDFANYWOOW-DLBZAZTESA-N 2 2 262.441 3.177 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@]2(C)CC)CC1 ZINC000651700575 398271361 /nfs/dbraw/zinc/27/13/61/398271361.db2.gz LDIXBXHJHWYACN-CVEARBPZSA-N 2 2 250.430 3.195 20 30 CGEDLP CC[NH+](CCC#N)Cc1cccc(C[N@H+](CC)CCC#N)c1 ZINC000081017991 345695836 /nfs/dbraw/zinc/69/58/36/345695836.db2.gz XAELXVSYNDVBMQ-UHFFFAOYSA-N 2 2 298.434 3.158 20 30 CGEDLP CC[NH+](CCC#N)Cc1cccc(C[N@@H+](CC)CCC#N)c1 ZINC000081017991 345695838 /nfs/dbraw/zinc/69/58/38/345695838.db2.gz XAELXVSYNDVBMQ-UHFFFAOYSA-N 2 2 298.434 3.158 20 30 CGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3=CCCC3)CC2)cc1 ZINC000594989723 347250262 /nfs/dbraw/zinc/25/02/62/347250262.db2.gz IWWMXCHJAQKPDA-UHFFFAOYSA-N 2 2 295.430 3.223 20 30 CGEDLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594992538 347250861 /nfs/dbraw/zinc/25/08/61/347250861.db2.gz UCFFPJVTQNVKBQ-KRWDZBQOSA-N 2 2 285.435 3.062 20 30 CGEDLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594992538 347250866 /nfs/dbraw/zinc/25/08/66/347250866.db2.gz UCFFPJVTQNVKBQ-KRWDZBQOSA-N 2 2 285.435 3.062 20 30 CGEDLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595057213 347272375 /nfs/dbraw/zinc/27/23/75/347272375.db2.gz VGPXNYAIWGFCHT-AEFFLSMTSA-N 2 2 297.446 3.398 20 30 CGEDLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595057213 347272376 /nfs/dbraw/zinc/27/23/76/347272376.db2.gz VGPXNYAIWGFCHT-AEFFLSMTSA-N 2 2 297.446 3.398 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000598894854 347698163 /nfs/dbraw/zinc/69/81/63/347698163.db2.gz FKOJTEQXWGEIJK-BFYDXBDKSA-N 2 2 273.424 3.207 20 30 CGEDLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C[NH2+]1 ZINC000600711136 347829254 /nfs/dbraw/zinc/82/92/54/347829254.db2.gz RGOCLPVLUKMBNV-MZMPZRCHSA-N 2 2 283.419 3.056 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000602519777 347975301 /nfs/dbraw/zinc/97/53/01/347975301.db2.gz AASJKHMKTDAECS-CYBMUJFWSA-N 2 2 286.354 3.041 20 30 CGEDLP C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000602746452 348023000 /nfs/dbraw/zinc/02/30/00/348023000.db2.gz DSEHOMXBTIOFAH-GOSISDBHSA-N 2 2 297.446 3.014 20 30 CGEDLP C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000602746452 348023004 /nfs/dbraw/zinc/02/30/04/348023004.db2.gz DSEHOMXBTIOFAH-GOSISDBHSA-N 2 2 297.446 3.014 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000602564467 347982906 /nfs/dbraw/zinc/98/29/06/347982906.db2.gz GRPSMHQLBXPKET-NVXWUHKLSA-N 2 2 296.418 3.233 20 30 CGEDLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000602967005 348047804 /nfs/dbraw/zinc/04/78/04/348047804.db2.gz ZQAXQBOKSTXAON-UHFFFAOYSA-N 2 2 285.435 3.173 20 30 CGEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390140 348444584 /nfs/dbraw/zinc/44/45/84/348444584.db2.gz FNDBFAUDWZJMSD-SJLPKXTDSA-N 2 2 283.419 3.010 20 30 CGEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390140 348444587 /nfs/dbraw/zinc/44/45/87/348444587.db2.gz FNDBFAUDWZJMSD-SJLPKXTDSA-N 2 2 283.419 3.010 20 30 CGEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188929 349996336 /nfs/dbraw/zinc/99/63/36/349996336.db2.gz MGCFYVOUXXIIBM-HOCLYGCPSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188929 349996338 /nfs/dbraw/zinc/99/63/38/349996338.db2.gz MGCFYVOUXXIIBM-HOCLYGCPSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CC[C@H]1CC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000625701885 350199261 /nfs/dbraw/zinc/19/92/61/350199261.db2.gz LYCUTKSZKPQBTH-HOTGVXAUSA-N 2 2 250.430 3.147 20 30 CGEDLP C=CC[C@H]1CC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000625701885 350199264 /nfs/dbraw/zinc/19/92/64/350199264.db2.gz LYCUTKSZKPQBTH-HOTGVXAUSA-N 2 2 250.430 3.147 20 30 CGEDLP C=CC[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000625701885 350199268 /nfs/dbraw/zinc/19/92/68/350199268.db2.gz LYCUTKSZKPQBTH-HOTGVXAUSA-N 2 2 250.430 3.147 20 30 CGEDLP C=CC[C@H]1CC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000625701885 350199273 /nfs/dbraw/zinc/19/92/73/350199273.db2.gz LYCUTKSZKPQBTH-HOTGVXAUSA-N 2 2 250.430 3.147 20 30 CGEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1Cl ZINC000629396254 350688650 /nfs/dbraw/zinc/68/86/50/350688650.db2.gz JSAXGJHDGSFASW-OCCSQVGLSA-N 2 2 294.826 3.135 20 30 CGEDLP C=C(Cl)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271435563 191137571 /nfs/dbraw/zinc/13/75/71/191137571.db2.gz COXXMSDZRHYFDQ-CJNGLKHVSA-N 2 2 278.827 3.239 20 30 CGEDLP C=C(Cl)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271435563 191137574 /nfs/dbraw/zinc/13/75/74/191137574.db2.gz COXXMSDZRHYFDQ-CJNGLKHVSA-N 2 2 278.827 3.239 20 30 CGEDLP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000130516316 260398187 /nfs/dbraw/zinc/39/81/87/260398187.db2.gz WVDMKEFHXUXYCR-WBVHZDCISA-N 2 2 258.409 3.205 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(C)c2)CC1 ZINC000272974584 192004253 /nfs/dbraw/zinc/00/42/53/192004253.db2.gz UAIYMYATZWWFJP-OAHLLOKOSA-N 2 2 288.435 3.305 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2c3ccccc3C[C@H]2C)CC1 ZINC000177907730 189078364 /nfs/dbraw/zinc/07/83/64/189078364.db2.gz HGLGUJDCAAKWCR-RDTXWAMCSA-N 2 2 270.420 3.160 20 30 CGEDLP C=CCCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000076737956 369941100 /nfs/dbraw/zinc/94/11/00/369941100.db2.gz FWSZARXQKNUWSE-UHFFFAOYSA-N 2 2 255.365 3.270 20 30 CGEDLP C=CCCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000076737956 369941106 /nfs/dbraw/zinc/94/11/06/369941106.db2.gz FWSZARXQKNUWSE-UHFFFAOYSA-N 2 2 255.365 3.270 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)C[N@@H+]1C1CC1 ZINC000090665834 370063239 /nfs/dbraw/zinc/06/32/39/370063239.db2.gz HKYXBIGXNVAWJD-LESCRADOSA-N 2 2 283.419 3.246 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+][C@@H](CCC#N)c2ccccc2)C[N@H+]1C1CC1 ZINC000090665834 370063241 /nfs/dbraw/zinc/06/32/41/370063241.db2.gz HKYXBIGXNVAWJD-LESCRADOSA-N 2 2 283.419 3.246 20 30 CGEDLP C[C@@H]([NH2+]CCCCC#N)c1ccc(-n2cc[nH+]c2)cc1 ZINC000131023299 371076707 /nfs/dbraw/zinc/07/67/07/371076707.db2.gz YJXJCTWHMPQKAJ-CQSZACIVSA-N 2 2 268.364 3.217 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(C(C)C)s2)CC1 ZINC000132234045 371160410 /nfs/dbraw/zinc/16/04/10/371160410.db2.gz PHCILGDNYVKORM-UHFFFAOYSA-N 2 2 293.480 3.397 20 30 CGEDLP C[C@H](CC#N)[NH+](C)Cc1ccccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000161736925 372349081 /nfs/dbraw/zinc/34/90/81/372349081.db2.gz XHWZMLSGHISIRC-IYBDPMFKSA-N 2 2 298.434 3.155 20 30 CGEDLP C[C@H](CC#N)[NH+](C)Cc1ccccc1C[N@H+](C)[C@@H](C)CC#N ZINC000161736925 372349087 /nfs/dbraw/zinc/34/90/87/372349087.db2.gz XHWZMLSGHISIRC-IYBDPMFKSA-N 2 2 298.434 3.155 20 30 CGEDLP C[C@H](CC#N)[N@@H+](C)Cc1ccccc1C[NH+](C)[C@@H](C)CC#N ZINC000161736925 372349093 /nfs/dbraw/zinc/34/90/93/372349093.db2.gz XHWZMLSGHISIRC-IYBDPMFKSA-N 2 2 298.434 3.155 20 30 CGEDLP C[C@H](CC#N)[N@H+](C)Cc1ccccc1C[NH+](C)[C@@H](C)CC#N ZINC000161736925 372349101 /nfs/dbraw/zinc/34/91/01/372349101.db2.gz XHWZMLSGHISIRC-IYBDPMFKSA-N 2 2 298.434 3.155 20 30 CGEDLP C=CCC[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000439090979 372974630 /nfs/dbraw/zinc/97/46/30/372974630.db2.gz MFDRVJSCSFPDDJ-GOSISDBHSA-N 2 2 272.436 3.453 20 30 CGEDLP C=CCC[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1CC1 ZINC000439090979 372974638 /nfs/dbraw/zinc/97/46/38/372974638.db2.gz MFDRVJSCSFPDDJ-GOSISDBHSA-N 2 2 272.436 3.453 20 30 CGEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000442642491 373061225 /nfs/dbraw/zinc/06/12/25/373061225.db2.gz DRVOJTJLWLTIET-KFWWJZLASA-N 2 2 289.448 3.167 20 30 CGEDLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442656273 373061263 /nfs/dbraw/zinc/06/12/63/373061263.db2.gz WEULDPBGVXZEHO-CGTJXYLNSA-N 2 2 285.435 3.351 20 30 CGEDLP C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000449082799 373662106 /nfs/dbraw/zinc/66/21/06/373662106.db2.gz PXCDTZZZNPDDQT-NJINODPHSA-N 2 2 277.456 3.169 20 30 CGEDLP C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000449082799 373662110 /nfs/dbraw/zinc/66/21/10/373662110.db2.gz PXCDTZZZNPDDQT-NJINODPHSA-N 2 2 277.456 3.169 20 30 CGEDLP C=C(CC)C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449735911 373863642 /nfs/dbraw/zinc/86/36/42/373863642.db2.gz SKURZGZRJASEMG-DOTOQJQBSA-N 2 2 258.409 3.378 20 30 CGEDLP C=C(CC)C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449735911 373863649 /nfs/dbraw/zinc/86/36/49/373863649.db2.gz SKURZGZRJASEMG-DOTOQJQBSA-N 2 2 258.409 3.378 20 30 CGEDLP C=CC[C@H](CC)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000467404838 374973656 /nfs/dbraw/zinc/97/36/56/374973656.db2.gz DGBDMEPOTUWKQE-BPQIPLTHSA-N 2 2 272.436 3.451 20 30 CGEDLP C=CC[C@H](CC)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000467404838 374973663 /nfs/dbraw/zinc/97/36/63/374973663.db2.gz DGBDMEPOTUWKQE-BPQIPLTHSA-N 2 2 272.436 3.451 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3nc(C)ccc3c2)CC1 ZINC000189325705 375367225 /nfs/dbraw/zinc/36/72/25/375367225.db2.gz XOKUPJZKFOEJOH-UHFFFAOYSA-N 2 2 295.430 3.283 20 30 CGEDLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C[C@H](C)C#N ZINC000191976416 375686481 /nfs/dbraw/zinc/68/64/81/375686481.db2.gz NYYZIGVPPVWKAE-CQSZACIVSA-N 2 2 282.391 3.162 20 30 CGEDLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)C[C@H](C)C#N ZINC000191976416 375686487 /nfs/dbraw/zinc/68/64/87/375686487.db2.gz NYYZIGVPPVWKAE-CQSZACIVSA-N 2 2 282.391 3.162 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000515979248 375816230 /nfs/dbraw/zinc/81/62/30/375816230.db2.gz WXTQGSILIXSGAY-OFQRWUPVSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000515979248 375816234 /nfs/dbraw/zinc/81/62/34/375816234.db2.gz WXTQGSILIXSGAY-OFQRWUPVSA-N 2 2 250.430 3.194 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248892256 377422646 /nfs/dbraw/zinc/42/26/46/377422646.db2.gz STUMCBKNTMRVPM-CEXWTWQISA-N 2 2 297.446 3.323 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000248892256 377422653 /nfs/dbraw/zinc/42/26/53/377422653.db2.gz STUMCBKNTMRVPM-CEXWTWQISA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000248990144 377440531 /nfs/dbraw/zinc/44/05/31/377440531.db2.gz NDUDZBKMKNTMOJ-BVBHFADKSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000248990144 377440534 /nfs/dbraw/zinc/44/05/34/377440534.db2.gz NDUDZBKMKNTMOJ-BVBHFADKSA-N 2 2 297.446 3.321 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000248780968 377400515 /nfs/dbraw/zinc/40/05/15/377400515.db2.gz HYXNPJMMHNTTJM-GUDVDZBRSA-N 2 2 297.446 3.323 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000248780968 377400519 /nfs/dbraw/zinc/40/05/19/377400519.db2.gz HYXNPJMMHNTTJM-GUDVDZBRSA-N 2 2 297.446 3.323 20 30 CGEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272919084 378722626 /nfs/dbraw/zinc/72/26/26/378722626.db2.gz RKHXXWOMAUKAGR-GDBMZVCRSA-N 2 2 278.827 3.382 20 30 CGEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272919084 378722630 /nfs/dbraw/zinc/72/26/30/378722630.db2.gz RKHXXWOMAUKAGR-GDBMZVCRSA-N 2 2 278.827 3.382 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273875457 378760466 /nfs/dbraw/zinc/76/04/66/378760466.db2.gz PMEAMMZAEMWWDK-NXHRZFHOSA-N 2 2 285.435 3.321 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273875457 378760467 /nfs/dbraw/zinc/76/04/67/378760467.db2.gz PMEAMMZAEMWWDK-NXHRZFHOSA-N 2 2 285.435 3.321 20 30 CGEDLP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000414353365 380215959 /nfs/dbraw/zinc/21/59/59/380215959.db2.gz YMLLSKIPMGCTKH-JLAWEPINSA-N 2 2 297.446 3.074 20 30 CGEDLP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000414353365 380215966 /nfs/dbraw/zinc/21/59/66/380215966.db2.gz YMLLSKIPMGCTKH-JLAWEPINSA-N 2 2 297.446 3.074 20 30 CGEDLP C[NH+](C)C1(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000417358162 380608274 /nfs/dbraw/zinc/60/82/74/380608274.db2.gz SOTCQKKZPSZVNX-UHFFFAOYSA-N 2 2 297.446 3.074 20 30 CGEDLP C=CCC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccco1 ZINC000285528599 392325316 /nfs/dbraw/zinc/32/53/16/392325316.db2.gz FJIXEOOFHKAJQD-HNNXBMFYSA-N 2 2 262.397 3.361 20 30 CGEDLP CC[C@H](CC#N)[NH2+]Cc1ccccc1C[NH2+][C@@H](CC)CC#N ZINC000519648784 392877465 /nfs/dbraw/zinc/87/74/65/392877465.db2.gz OSOVSOMCOCTAKZ-HDICACEKSA-N 2 2 298.434 3.250 20 30 CGEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530214156 392984842 /nfs/dbraw/zinc/98/48/42/392984842.db2.gz BMNKDBCBIMYZDX-ROUUACIJSA-N 2 2 295.430 3.200 20 30 CGEDLP C=CC[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000668493676 543020026 /nfs/dbraw/zinc/02/00/26/543020026.db2.gz QHENEVVLGUTHOG-CQSZACIVSA-N 2 2 255.365 3.122 20 30 CGEDLP C=CC[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000668493676 543020028 /nfs/dbraw/zinc/02/00/28/543020028.db2.gz QHENEVVLGUTHOG-CQSZACIVSA-N 2 2 255.365 3.122 20 30 CGEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657530721 419299264 /nfs/dbraw/zinc/29/92/64/419299264.db2.gz RXJYFNARERAHHI-DZGCQCFKSA-N 2 2 259.397 3.054 20 30 CGEDLP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCCC[N@H+]1C(C)C ZINC000662089747 419334671 /nfs/dbraw/zinc/33/46/71/419334671.db2.gz FAFMKJQFYLNFFS-BBWFWOEESA-N 2 2 262.441 3.432 20 30 CGEDLP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000662089747 419334672 /nfs/dbraw/zinc/33/46/72/419334672.db2.gz FAFMKJQFYLNFFS-BBWFWOEESA-N 2 2 262.441 3.432 20 30 CGEDLP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCC[NH+]1C(C)C ZINC000662089747 419334674 /nfs/dbraw/zinc/33/46/74/419334674.db2.gz FAFMKJQFYLNFFS-BBWFWOEESA-N 2 2 262.441 3.432 20 30 CGEDLP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCC[NH+]1C(C)C ZINC000662089747 419334676 /nfs/dbraw/zinc/33/46/76/419334676.db2.gz FAFMKJQFYLNFFS-BBWFWOEESA-N 2 2 262.441 3.432 20 30 CGEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000658007898 419491538 /nfs/dbraw/zinc/49/15/38/419491538.db2.gz YGUWSUQQGZUSRM-HOCLYGCPSA-N 2 2 273.424 3.444 20 30 CGEDLP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000130516316 260398186 /nfs/dbraw/zinc/39/81/86/260398186.db2.gz WVDMKEFHXUXYCR-WBVHZDCISA-N 2 2 258.409 3.205 20 30 CGEDLP C=CCCC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000448367470 261129655 /nfs/dbraw/zinc/12/96/55/261129655.db2.gz QGYRUBXYXNUJKW-AEFFLSMTSA-N 2 2 272.436 3.453 20 30 CGEDLP C=CCCC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000448367470 261129657 /nfs/dbraw/zinc/12/96/57/261129657.db2.gz QGYRUBXYXNUJKW-AEFFLSMTSA-N 2 2 272.436 3.453 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488441804 262323099 /nfs/dbraw/zinc/32/30/99/262323099.db2.gz SPFNIQJPKADWME-CABCVRRESA-N 2 2 282.497 3.147 20 30 CGEDLP CC(C)(C#N)CCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000277780730 263043241 /nfs/dbraw/zinc/04/32/41/263043241.db2.gz RURYUZXTKPAVOL-UHFFFAOYSA-N 2 2 274.412 3.240 20 30 CGEDLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000287377789 263101818 /nfs/dbraw/zinc/10/18/18/263101818.db2.gz PFUDBZYFGSQXRU-OQIJWPOYSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000287377789 263101819 /nfs/dbraw/zinc/10/18/19/263101819.db2.gz PFUDBZYFGSQXRU-OQIJWPOYSA-N 2 2 297.446 3.321 20 30 CGEDLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000278361129 288091691 /nfs/dbraw/zinc/09/16/91/288091691.db2.gz BKYBONXDRGZXKD-KKXDTOCCSA-N 2 2 283.419 3.082 20 30 CGEDLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000278361129 288091694 /nfs/dbraw/zinc/09/16/94/288091694.db2.gz BKYBONXDRGZXKD-KKXDTOCCSA-N 2 2 283.419 3.082 20 30 CGEDLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000571733777 322306475 /nfs/dbraw/zinc/30/64/75/322306475.db2.gz CWVRLPFCMIJUKZ-DNVCBOLYSA-N 2 2 297.446 3.257 20 30 CGEDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000571733777 322306476 /nfs/dbraw/zinc/30/64/76/322306476.db2.gz CWVRLPFCMIJUKZ-DNVCBOLYSA-N 2 2 297.446 3.257 20 30 CGEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000378185887 329042477 /nfs/dbraw/zinc/04/24/77/329042477.db2.gz VAYXZSMZWONYQN-LSDHHAIUSA-N 2 2 261.413 3.403 20 30 CGEDLP C=CCC[C@H]([NH2+][C@H](C[NH3+])CCCC)c1ccco1 ZINC000423303817 330188971 /nfs/dbraw/zinc/18/89/71/330188971.db2.gz XOIRLMPUKYPFPN-KBPBESRZSA-N 2 2 250.386 3.394 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527953962 330294649 /nfs/dbraw/zinc/29/46/49/330294649.db2.gz XVBAJECLYQRQAC-BFYDXBDKSA-N 2 2 275.440 3.065 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527953962 330294650 /nfs/dbraw/zinc/29/46/50/330294650.db2.gz XVBAJECLYQRQAC-BFYDXBDKSA-N 2 2 275.440 3.065 20 30 CGEDLP C=CCC[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000120181169 330386034 /nfs/dbraw/zinc/38/60/34/330386034.db2.gz FLZXHDDOSXQBIQ-HOCLYGCPSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000120181169 330386035 /nfs/dbraw/zinc/38/60/35/330386035.db2.gz FLZXHDDOSXQBIQ-HOCLYGCPSA-N 2 2 250.430 3.195 20 30 CGEDLP Cc1ccc([C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)[NH+]2CCCC2)cc1 ZINC000442789957 330783751 /nfs/dbraw/zinc/78/37/51/330783751.db2.gz FOCMBUJUPFEOLQ-WDSOQIARSA-N 2 2 297.446 3.414 20 30 CGEDLP C=CC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000163322993 331021343 /nfs/dbraw/zinc/02/13/43/331021343.db2.gz AFJNRMUBDBAMAQ-NVXWUHKLSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000163322993 331021344 /nfs/dbraw/zinc/02/13/44/331021344.db2.gz AFJNRMUBDBAMAQ-NVXWUHKLSA-N 2 2 258.409 3.205 20 30 CGEDLP C[N@H+](CCCCC#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452117822 331054818 /nfs/dbraw/zinc/05/48/18/331054818.db2.gz OEMMDPXKCNNFMQ-UHFFFAOYSA-N 2 2 291.361 3.029 20 30 CGEDLP C[N@@H+](CCCCC#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452117822 331054819 /nfs/dbraw/zinc/05/48/19/331054819.db2.gz OEMMDPXKCNNFMQ-UHFFFAOYSA-N 2 2 291.361 3.029 20 30 CGEDLP C[C@@H]1C[C@H]([NH+](C)CC#Cc2ccccc2Cl)CC[N@@H+]1C ZINC000135123023 334116511 /nfs/dbraw/zinc/11/65/11/334116511.db2.gz OSLLPYNUINOGRE-GDBMZVCRSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@@H]1C[C@H]([NH+](C)CC#Cc2ccccc2Cl)CC[N@H+]1C ZINC000135123023 334116512 /nfs/dbraw/zinc/11/65/12/334116512.db2.gz OSLLPYNUINOGRE-GDBMZVCRSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@@H]1C[C@H]([N@H+](C)CC#Cc2ccccc2Cl)CC[NH+]1C ZINC000135123023 334116514 /nfs/dbraw/zinc/11/65/14/334116514.db2.gz OSLLPYNUINOGRE-GDBMZVCRSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@@H]1C[C@H]([N@@H+](C)CC#Cc2ccccc2Cl)CC[NH+]1C ZINC000135123023 334116516 /nfs/dbraw/zinc/11/65/16/334116516.db2.gz OSLLPYNUINOGRE-GDBMZVCRSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@H](CC#N)[NH+](C)Cc1ccccc1C[N@@H+](C)[C@H](C)CC#N ZINC000247779327 334290326 /nfs/dbraw/zinc/29/03/26/334290326.db2.gz XHWZMLSGHISIRC-HZPDHXFCSA-N 2 2 298.434 3.155 20 30 CGEDLP C[C@H](CC#N)[NH+](C)Cc1ccccc1C[N@H+](C)[C@H](C)CC#N ZINC000247779327 334290327 /nfs/dbraw/zinc/29/03/27/334290327.db2.gz XHWZMLSGHISIRC-HZPDHXFCSA-N 2 2 298.434 3.155 20 30 CGEDLP C=CC[N@@H+](CCC[NH+](CC)CC)Cc1cccc(C#N)c1 ZINC000191464883 571881390 /nfs/dbraw/zinc/88/13/90/571881390.db2.gz FPZUKTIBWWLIGT-UHFFFAOYSA-N 2 2 285.435 3.278 20 30 CGEDLP C=CC[N@H+](CCC[NH+](CC)CC)Cc1cccc(C#N)c1 ZINC000191464883 571881396 /nfs/dbraw/zinc/88/13/96/571881396.db2.gz FPZUKTIBWWLIGT-UHFFFAOYSA-N 2 2 285.435 3.278 20 30 CGEDLP CCCCCCCC[C@H]([NH3+])c1nc([C@H]2CCC[NH2+]2)no1 ZINC000900009793 620745039 /nfs/dbraw/zinc/74/50/39/620745039.db2.gz KFVSMIYBPVKVQJ-QWHCGFSZSA-N 2 2 280.416 3.245 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](CCC)c1ncccc1Cl ZINC000926490256 618710303 /nfs/dbraw/zinc/71/03/03/618710303.db2.gz MEBJRHTWOXDRGK-OAHLLOKOSA-N 2 2 293.842 3.121 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](CCC)c1ncccc1Cl ZINC000926490256 618710306 /nfs/dbraw/zinc/71/03/06/618710306.db2.gz MEBJRHTWOXDRGK-OAHLLOKOSA-N 2 2 293.842 3.121 20 30 CGEDLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cc(C#N)ccn1 ZINC000902831589 621467097 /nfs/dbraw/zinc/46/70/97/621467097.db2.gz CGPCNESKLKDYIR-AWEZNQCLSA-N 2 2 298.434 3.011 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C/C=C\c2cccc(F)c2)CC1 ZINC000885972358 637339388 /nfs/dbraw/zinc/33/93/88/637339388.db2.gz AJXIZWDCBMAGEL-XQRVVYSFSA-N 2 2 274.383 3.079 20 30 CGEDLP N#CC1(CCCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000929992888 638966883 /nfs/dbraw/zinc/96/68/83/638966883.db2.gz XNDNFXWUAXSPET-OAHLLOKOSA-N 2 2 286.423 3.453 20 30 CGEDLP N#CC1(CCCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000929992888 638966884 /nfs/dbraw/zinc/96/68/84/638966884.db2.gz XNDNFXWUAXSPET-OAHLLOKOSA-N 2 2 286.423 3.453 20 30 CGEDLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCCC1(C#N)CCC1 ZINC000931621349 639182093 /nfs/dbraw/zinc/18/20/93/639182093.db2.gz KBFNGWPCUFMFKJ-JKSUJKDBSA-N 2 2 275.440 3.019 20 30 CGEDLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCCC1(C#N)CCC1 ZINC000931621349 639182099 /nfs/dbraw/zinc/18/20/99/639182099.db2.gz KBFNGWPCUFMFKJ-JKSUJKDBSA-N 2 2 275.440 3.019 20 30 CGEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCCC1(C#N)CCC1 ZINC000931621349 639182102 /nfs/dbraw/zinc/18/21/02/639182102.db2.gz KBFNGWPCUFMFKJ-JKSUJKDBSA-N 2 2 275.440 3.019 20 30 CGEDLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCCC1(C#N)CCC1 ZINC000931621349 639182107 /nfs/dbraw/zinc/18/21/07/639182107.db2.gz KBFNGWPCUFMFKJ-JKSUJKDBSA-N 2 2 275.440 3.019 20 30 CGEDLP CC[C@H](C)c1ccc(NC(=[NH2+])NCCCn2cc[nH+]c2)cc1 ZINC000303709677 640839331 /nfs/dbraw/zinc/83/93/31/640839331.db2.gz NWZCMXDAPGETPS-AWEZNQCLSA-N 2 2 299.422 3.214 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255388792 806630818 /nfs/dbraw/zinc/63/08/18/806630818.db2.gz HTFFGBCVSOYUCQ-QZTJIDSGSA-N 2 2 285.435 3.323 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388792 806630822 /nfs/dbraw/zinc/63/08/22/806630822.db2.gz HTFFGBCVSOYUCQ-QZTJIDSGSA-N 2 2 285.435 3.323 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000328311253 799251699 /nfs/dbraw/zinc/25/16/99/799251699.db2.gz XANCAUJSQOLMCC-UHFFFAOYSA-N 2 2 290.410 3.301 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000328311253 799251706 /nfs/dbraw/zinc/25/17/06/799251706.db2.gz XANCAUJSQOLMCC-UHFFFAOYSA-N 2 2 290.410 3.301 20 30 CGEDLP CCC[N@H+](CCC#N)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547912 803963935 /nfs/dbraw/zinc/96/39/35/803963935.db2.gz WJJGRNKIQNPSNL-UHFFFAOYSA-N 2 2 282.391 3.306 20 30 CGEDLP CCC[N@@H+](CCC#N)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547912 803963943 /nfs/dbraw/zinc/96/39/43/803963943.db2.gz WJJGRNKIQNPSNL-UHFFFAOYSA-N 2 2 282.391 3.306 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001246069719 804107929 /nfs/dbraw/zinc/10/79/29/804107929.db2.gz ZDUYDLIYEUEVDQ-ZWKOTPCHSA-N 2 2 294.483 3.090 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001246069719 804107934 /nfs/dbraw/zinc/10/79/34/804107934.db2.gz ZDUYDLIYEUEVDQ-ZWKOTPCHSA-N 2 2 294.483 3.090 20 30 CGEDLP CCCCCCC[C@@H](C)[NH2+][C@]1(CC(=O)OCC)CC[NH2+]C1 ZINC001246133763 804158791 /nfs/dbraw/zinc/15/87/91/804158791.db2.gz VPWKMXRUWUDLKX-WBVHZDCISA-N 2 2 298.471 3.010 20 30 CGEDLP N#CCC[N@H+](C1CC[NH2+]CC1)C1CCCCCCC1 ZINC001246770761 804503306 /nfs/dbraw/zinc/50/33/06/804503306.db2.gz SHILPGCTQYSJHU-UHFFFAOYSA-N 2 2 263.429 3.067 20 30 CGEDLP N#CCC[N@@H+](C1CC[NH2+]CC1)C1CCCCCCC1 ZINC001246770761 804503311 /nfs/dbraw/zinc/50/33/11/804503311.db2.gz SHILPGCTQYSJHU-UHFFFAOYSA-N 2 2 263.429 3.067 20 30 CGEDLP C=CCC[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246786003 804511115 /nfs/dbraw/zinc/51/11/15/804511115.db2.gz CJBPBMXDYNFFMH-WBVHZDCISA-N 2 2 258.409 3.205 20 30 CGEDLP C=CCC[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246786003 804511121 /nfs/dbraw/zinc/51/11/21/804511121.db2.gz CJBPBMXDYNFFMH-WBVHZDCISA-N 2 2 258.409 3.205 20 30 CGEDLP N#Cc1ccc(C2CCC(n3cc[nH+]c3CC[NH3+])CC2)cc1 ZINC001257011264 807025758 /nfs/dbraw/zinc/02/57/58/807025758.db2.gz ITQDMWUMTSWUPB-UHFFFAOYSA-N 2 2 294.402 3.155 20 30 CGEDLP CCC[C@](C)(C#N)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258905058 807670920 /nfs/dbraw/zinc/67/09/20/807670920.db2.gz ONPLHOGGSJYPCA-LSDHHAIUSA-N 2 2 253.434 3.169 20 30 CGEDLP CCCCCCC[C@H](CC)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001172357207 808252533 /nfs/dbraw/zinc/25/25/33/808252533.db2.gz JGPOZTKIFFDMKS-INIZCTEOSA-N 2 2 284.488 3.172 20 30 CGEDLP N#CCC1CCC([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC1 ZINC001173328096 808614228 /nfs/dbraw/zinc/61/42/28/808614228.db2.gz NKKXILMPRLCCET-UHFFFAOYSA-N 2 2 297.446 3.180 20 30 CGEDLP C=C(C)C[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001175382655 809385770 /nfs/dbraw/zinc/38/57/70/809385770.db2.gz UCWOCSSZNNZYQZ-OALUTQOASA-N 2 2 284.447 3.407 20 30 CGEDLP C=C(C)C[N@@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001175382654 809385951 /nfs/dbraw/zinc/38/59/51/809385951.db2.gz UCWOCSSZNNZYQZ-KDURUIRLSA-N 2 2 284.447 3.407 20 30 CGEDLP C=C(C)C[N@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001175382654 809385954 /nfs/dbraw/zinc/38/59/54/809385954.db2.gz UCWOCSSZNNZYQZ-KDURUIRLSA-N 2 2 284.447 3.407 20 30 CGEDLP C=C(C)C[NH+]1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001175382654 809385958 /nfs/dbraw/zinc/38/59/58/809385958.db2.gz UCWOCSSZNNZYQZ-KDURUIRLSA-N 2 2 284.447 3.407 20 30 CGEDLP C=C(C)C[NH+]1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001175382654 809385961 /nfs/dbraw/zinc/38/59/61/809385961.db2.gz UCWOCSSZNNZYQZ-KDURUIRLSA-N 2 2 284.447 3.407 20 30 CGEDLP Cc1cc(C)c(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)c[nH+]1 ZINC001213505590 815292768 /nfs/dbraw/zinc/29/27/68/815292768.db2.gz IZZROWPCXYXBIL-UHFFFAOYSA-N 2 2 298.415 3.363 20 30 CGEDLP Cc1cc(C)c(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c[nH+]1 ZINC001213505590 815292772 /nfs/dbraw/zinc/29/27/72/815292772.db2.gz IZZROWPCXYXBIL-UHFFFAOYSA-N 2 2 298.415 3.363 20 30 CGEDLP C[NH+](C)CC1(C[N@@H+]2CCc3ccc(C#N)cc3C2)CCCC1 ZINC001208184148 813735199 /nfs/dbraw/zinc/73/51/99/813735199.db2.gz KMZXIIKLVHKPKO-UHFFFAOYSA-N 2 2 297.446 3.038 20 30 CGEDLP C[NH+](C)CC1(C[N@H+]2CCc3ccc(C#N)cc3C2)CCCC1 ZINC001208184148 813735201 /nfs/dbraw/zinc/73/52/01/813735201.db2.gz KMZXIIKLVHKPKO-UHFFFAOYSA-N 2 2 297.446 3.038 20 30 CGEDLP CCc1cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)ccc1C#N ZINC001237160184 819683890 /nfs/dbraw/zinc/68/38/90/819683890.db2.gz HKPGLHMMIKGNFC-LJQANCHMSA-N 2 2 297.446 3.227 20 30 CGEDLP CCc1cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)ccc1C#N ZINC001237160184 819683895 /nfs/dbraw/zinc/68/38/95/819683895.db2.gz HKPGLHMMIKGNFC-LJQANCHMSA-N 2 2 297.446 3.227 20 30 CGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C/C=C\C3CC3)CC2)cc1 ZINC001343902023 936517919 /nfs/dbraw/zinc/51/79/19/936517919.db2.gz KYMYFQQZCAIKQC-UPHRSURJSA-N 2 2 295.430 3.078 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](CC(C)C)[NH+](C)C)C1 ZINC001473924939 937830334 /nfs/dbraw/zinc/83/03/34/937830334.db2.gz QLJKZTHRCVTPSM-OAGGEKHMSA-N 2 2 252.446 3.297 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC001474164912 937842707 /nfs/dbraw/zinc/84/27/07/937842707.db2.gz UWPKVVQCVUEKSF-UHFFFAOYSA-N 2 2 284.403 3.094 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC001474164912 937842709 /nfs/dbraw/zinc/84/27/09/937842709.db2.gz UWPKVVQCVUEKSF-UHFFFAOYSA-N 2 2 284.403 3.094 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC001560313891 938252324 /nfs/dbraw/zinc/25/23/24/938252324.db2.gz ZJSVEAZSEUURGO-UHFFFAOYSA-N 2 2 282.790 3.219 20 30 CGEDLP C[C@]1(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCC[NH2+]C1 ZINC001576502785 962469316 /nfs/dbraw/zinc/46/93/16/962469316.db2.gz HPPIIOAGPMTOFD-FHWLQOOXSA-N 2 2 297.446 3.148 20 30 CGEDLP C[C@]1(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CCC[NH2+]C1 ZINC001576502785 962469323 /nfs/dbraw/zinc/46/93/23/962469323.db2.gz HPPIIOAGPMTOFD-FHWLQOOXSA-N 2 2 297.446 3.148 20 30 CGEDLP C=CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000651681500 398268550 /nfs/dbraw/zinc/26/85/50/398268550.db2.gz QSUOEFDKOIVPSH-FUHWJXTLSA-N 2 2 299.462 3.380 20 30 CGEDLP N#CC1(CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000591013263 346894083 /nfs/dbraw/zinc/89/40/83/346894083.db2.gz OVEYAIZKALGYON-MRXNPFEDSA-N 2 2 286.423 3.384 20 30 CGEDLP N#CC1(CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000591013263 346894086 /nfs/dbraw/zinc/89/40/86/346894086.db2.gz OVEYAIZKALGYON-MRXNPFEDSA-N 2 2 286.423 3.384 20 30 CGEDLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(CC#N)cc1 ZINC000592518242 346994654 /nfs/dbraw/zinc/99/46/54/346994654.db2.gz OQRDLIYCDHUUFM-UHFFFAOYSA-N 2 2 279.387 3.179 20 30 CGEDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000593031758 347029426 /nfs/dbraw/zinc/02/94/26/347029426.db2.gz MWDYPSVQXBCXLI-SJORKVTESA-N 2 2 271.408 3.105 20 30 CGEDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000593031758 347029428 /nfs/dbraw/zinc/02/94/28/347029428.db2.gz MWDYPSVQXBCXLI-SJORKVTESA-N 2 2 271.408 3.105 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595057323 347272809 /nfs/dbraw/zinc/27/28/09/347272809.db2.gz XBAVYUVINYHXAM-SJORKVTESA-N 2 2 285.435 3.472 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595057323 347272813 /nfs/dbraw/zinc/27/28/13/347272813.db2.gz XBAVYUVINYHXAM-SJORKVTESA-N 2 2 285.435 3.472 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000602502295 347970779 /nfs/dbraw/zinc/97/07/79/347970779.db2.gz GMHBXWQEAZAPBC-LSDHHAIUSA-N 2 2 291.464 3.414 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]C1CCC(C#N)CC1 ZINC000602514752 347973751 /nfs/dbraw/zinc/97/37/51/347973751.db2.gz UXKJGIOWIWITJA-UHFFFAOYSA-N 2 2 282.391 3.017 20 30 CGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602617886 347995616 /nfs/dbraw/zinc/99/56/16/347995616.db2.gz PKIUANMNLUNZIY-GSHBMFQSSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602617886 347995620 /nfs/dbraw/zinc/99/56/20/347995620.db2.gz PKIUANMNLUNZIY-GSHBMFQSSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@@H]1[C@@H]([NH2+]C2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000602664708 348004189 /nfs/dbraw/zinc/00/41/89/348004189.db2.gz QFNKBNFRTSPGLQ-JVDULTGUSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H]1[C@@H]([NH2+]C2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000602664708 348004190 /nfs/dbraw/zinc/00/41/90/348004190.db2.gz QFNKBNFRTSPGLQ-JVDULTGUSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000602562681 347982581 /nfs/dbraw/zinc/98/25/81/347982581.db2.gz XWTQBSUAGFHXSU-WMZOPIPTSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000602562681 347982584 /nfs/dbraw/zinc/98/25/84/347982584.db2.gz XWTQBSUAGFHXSU-WMZOPIPTSA-N 2 2 285.435 3.180 20 30 CGEDLP CCC1([NH+]2CCCC2)CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602948128 348046302 /nfs/dbraw/zinc/04/63/02/348046302.db2.gz AOGMYBDTCAHCJA-UHFFFAOYSA-N 2 2 275.440 3.021 20 30 CGEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000611438246 348452039 /nfs/dbraw/zinc/45/20/39/348452039.db2.gz SFSDXOFCWAGGSN-OAHLLOKOSA-N 2 2 297.446 3.158 20 30 CGEDLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000619508170 349254465 /nfs/dbraw/zinc/25/44/65/349254465.db2.gz BOTWIQQWKLMDFJ-SJLPKXTDSA-N 2 2 283.419 3.010 20 30 CGEDLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000619508170 349254467 /nfs/dbraw/zinc/25/44/67/349254467.db2.gz BOTWIQQWKLMDFJ-SJLPKXTDSA-N 2 2 283.419 3.010 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCC=C(C)C)CC1 ZINC000177907152 189078063 /nfs/dbraw/zinc/07/80/63/189078063.db2.gz QYDWLEHENPQGBY-OAHLLOKOSA-N 2 2 250.430 3.361 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccs2)CC1 ZINC000177906424 189078105 /nfs/dbraw/zinc/07/81/05/189078105.db2.gz BENHETUYVPFZNL-GFCCVEGCSA-N 2 2 250.411 3.049 20 30 CGEDLP C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185684880 299323187 /nfs/dbraw/zinc/32/31/87/299323187.db2.gz HPPVEMDHYQURAB-KXBFYZLASA-N 2 2 293.414 3.339 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)C1CC1 ZINC000439080963 372972100 /nfs/dbraw/zinc/97/21/00/372972100.db2.gz UDJUAKBPDATZPW-MOPGFXCFSA-N 2 2 286.463 3.494 20 30 CGEDLP C=CCC[C@H]([NH2+]CC[NH+]1CCCCCC1)C1CC1 ZINC000439086575 372972598 /nfs/dbraw/zinc/97/25/98/372972598.db2.gz QIKJUGDHTFVNHO-INIZCTEOSA-N 2 2 250.430 3.197 20 30 CGEDLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000442853294 373105761 /nfs/dbraw/zinc/10/57/61/373105761.db2.gz MKKRCRIDENGZRR-NZSAHSFTSA-N 2 2 297.446 3.179 20 30 CGEDLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000442853294 373105763 /nfs/dbraw/zinc/10/57/63/373105763.db2.gz MKKRCRIDENGZRR-NZSAHSFTSA-N 2 2 297.446 3.179 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cnc(C)s2)CC1 ZINC000090408621 541960939 /nfs/dbraw/zinc/96/09/39/541960939.db2.gz QIBSKZTUQLQKOO-GFCCVEGCSA-N 2 2 279.453 3.143 20 30 CGEDLP C=CCCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000471586859 375002497 /nfs/dbraw/zinc/00/24/97/375002497.db2.gz SARDPRNJNWTAIA-SJLPKXTDSA-N 2 2 272.436 3.453 20 30 CGEDLP C=CCCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000471586859 375002509 /nfs/dbraw/zinc/00/25/09/375002509.db2.gz SARDPRNJNWTAIA-SJLPKXTDSA-N 2 2 272.436 3.453 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCOC1)C(C)C ZINC000507518383 375711532 /nfs/dbraw/zinc/71/15/32/375711532.db2.gz CVHDHKQDAOEFHX-RCCFBDPRSA-N 2 2 294.483 3.090 20 30 CGEDLP C=C1CC[NH+](Cc2cncc(C[NH+]3CCC(=C)CC3)c2)CC1 ZINC000515126383 375810179 /nfs/dbraw/zinc/81/01/79/375810179.db2.gz JKQVAQSSVOYFOQ-UHFFFAOYSA-N 2 2 297.446 3.386 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCC(C)(C)C)CC1 ZINC000556582699 376863970 /nfs/dbraw/zinc/86/39/70/376863970.db2.gz CGVAVIOBLQOQRA-CQSZACIVSA-N 2 2 252.446 3.441 20 30 CGEDLP C[C@H](CC#N)[NH+](C)Cc1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000247647443 377229519 /nfs/dbraw/zinc/22/95/19/377229519.db2.gz OZCBXKBDDYXOQB-HZPDHXFCSA-N 2 2 298.434 3.155 20 30 CGEDLP C[C@H](CC#N)[NH+](C)Cc1ccc(C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000247647443 377229526 /nfs/dbraw/zinc/22/95/26/377229526.db2.gz OZCBXKBDDYXOQB-HZPDHXFCSA-N 2 2 298.434 3.155 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000248780974 377400738 /nfs/dbraw/zinc/40/07/38/377400738.db2.gz HYXNPJMMHNTTJM-QRVBRYPASA-N 2 2 297.446 3.323 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000248780974 377400745 /nfs/dbraw/zinc/40/07/45/377400745.db2.gz HYXNPJMMHNTTJM-QRVBRYPASA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@H](C[NH2+]CC(C)(C)CCC#N)[N@@H+]1CCCC[C@@H]1C ZINC000343282459 377947013 /nfs/dbraw/zinc/94/70/13/377947013.db2.gz JUEZXKYCSSIICO-LSDHHAIUSA-N 2 2 265.445 3.169 20 30 CGEDLP C[C@H](C[NH2+]CC(C)(C)CCC#N)[N@H+]1CCCC[C@@H]1C ZINC000343282459 377947017 /nfs/dbraw/zinc/94/70/17/377947017.db2.gz JUEZXKYCSSIICO-LSDHHAIUSA-N 2 2 265.445 3.169 20 30 CGEDLP C=C(C)C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000348203636 378837408 /nfs/dbraw/zinc/83/74/08/378837408.db2.gz BMDFUPLCPUXAHP-UHFFFAOYSA-N 2 2 269.392 3.352 20 30 CGEDLP C=C(C)C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000348203636 378837412 /nfs/dbraw/zinc/83/74/12/378837412.db2.gz BMDFUPLCPUXAHP-UHFFFAOYSA-N 2 2 269.392 3.352 20 30 CGEDLP C[NH+](C)[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000277249089 379109401 /nfs/dbraw/zinc/10/94/01/379109401.db2.gz QCUMHTPEBSJASN-KRWDZBQOSA-N 2 2 290.838 3.108 20 30 CGEDLP C[NH+](C)[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000277249089 379109412 /nfs/dbraw/zinc/10/94/12/379109412.db2.gz QCUMHTPEBSJASN-KRWDZBQOSA-N 2 2 290.838 3.108 20 30 CGEDLP C[N@H+](CCCn1cc[nH+]c1)CCC1(C#N)CCCCC1 ZINC000411416717 380146896 /nfs/dbraw/zinc/14/68/96/380146896.db2.gz FDOXUMQVJHTMNR-UHFFFAOYSA-N 2 2 274.412 3.069 20 30 CGEDLP C[N@@H+](CCCn1cc[nH+]c1)CCC1(C#N)CCCCC1 ZINC000411416717 380146905 /nfs/dbraw/zinc/14/69/05/380146905.db2.gz FDOXUMQVJHTMNR-UHFFFAOYSA-N 2 2 274.412 3.069 20 30 CGEDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360828767 381627358 /nfs/dbraw/zinc/62/73/58/381627358.db2.gz AINDDMNXSXMFDX-SJLPKXTDSA-N 2 2 283.419 3.010 20 30 CGEDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360828767 381627368 /nfs/dbraw/zinc/62/73/68/381627368.db2.gz AINDDMNXSXMFDX-SJLPKXTDSA-N 2 2 283.419 3.010 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2cccc(OC)c2)CC1 ZINC000361219184 381661669 /nfs/dbraw/zinc/66/16/69/381661669.db2.gz BJBLKOFYTLFSOU-GOSISDBHSA-N 2 2 288.435 3.386 20 30 CGEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335334718 208216527 /nfs/dbraw/zinc/21/65/27/208216527.db2.gz RVTNHGNXOIQDPM-ZDUSSCGKSA-N 2 2 280.375 3.222 20 30 CGEDLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(C#N)c(F)c1 ZINC000404056903 392962197 /nfs/dbraw/zinc/96/21/97/392962197.db2.gz GVIICUDFTSICMS-UHFFFAOYSA-N 2 2 291.414 3.251 20 30 CGEDLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(C#N)c(F)c1 ZINC000404056903 392962208 /nfs/dbraw/zinc/96/22/08/392962208.db2.gz GVIICUDFTSICMS-UHFFFAOYSA-N 2 2 291.414 3.251 20 30 CGEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530214154 392984626 /nfs/dbraw/zinc/98/46/26/392984626.db2.gz BMNKDBCBIMYZDX-QZTJIDSGSA-N 2 2 295.430 3.200 20 30 CGEDLP Clc1cccc(C#CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000676558732 543405088 /nfs/dbraw/zinc/40/50/88/543405088.db2.gz QIBFCPBYICHBTM-KRWDZBQOSA-N 2 2 299.805 3.225 20 30 CGEDLP Clc1cccc(C#CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000676558732 543405090 /nfs/dbraw/zinc/40/50/90/543405090.db2.gz QIBFCPBYICHBTM-KRWDZBQOSA-N 2 2 299.805 3.225 20 30 CGEDLP C=CCC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660853650 419204490 /nfs/dbraw/zinc/20/44/90/419204490.db2.gz DGESHFZFDRWUJW-UHFFFAOYSA-N 2 2 269.392 3.394 20 30 CGEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000657835690 419379389 /nfs/dbraw/zinc/37/93/89/419379389.db2.gz QJBUMBRQVYJEBN-RDJZCZTQSA-N 2 2 287.451 3.486 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000657898791 419422370 /nfs/dbraw/zinc/42/23/70/419422370.db2.gz QPGYEKHJXQSPGD-OWCLPIDISA-N 2 2 282.497 3.148 20 30 CGEDLP C=CCCC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000448367472 261129566 /nfs/dbraw/zinc/12/95/66/261129566.db2.gz QGYRUBXYXNUJKW-SJLPKXTDSA-N 2 2 272.436 3.453 20 30 CGEDLP C=CCCC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000448367472 261129568 /nfs/dbraw/zinc/12/95/68/261129568.db2.gz QGYRUBXYXNUJKW-SJLPKXTDSA-N 2 2 272.436 3.453 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488441806 262322696 /nfs/dbraw/zinc/32/26/96/262322696.db2.gz SPFNIQJPKADWME-HUUCEWRRSA-N 2 2 282.497 3.147 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+]CCCCC#N)C[N@H+](Cc2ccccc2)C1 ZINC000274325146 263023235 /nfs/dbraw/zinc/02/32/35/263023235.db2.gz DOPRIMFVBLVJAE-AEFFLSMTSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+]CCCCC#N)C[N@@H+](Cc2ccccc2)C1 ZINC000274325146 263023236 /nfs/dbraw/zinc/02/32/36/263023236.db2.gz DOPRIMFVBLVJAE-AEFFLSMTSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000294949571 263169877 /nfs/dbraw/zinc/16/98/77/263169877.db2.gz CXTFNLYSXHVCKP-KCITZHQASA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@H+]1Cc1ccccc1 ZINC000294949571 263169879 /nfs/dbraw/zinc/16/98/79/263169879.db2.gz CXTFNLYSXHVCKP-KCITZHQASA-N 2 2 297.446 3.321 20 30 CGEDLP C=CCC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CC1 ZINC000120052412 263280952 /nfs/dbraw/zinc/28/09/52/263280952.db2.gz SJZVHSXSABGYMB-MRXNPFEDSA-N 2 2 269.392 3.211 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000368513910 267178891 /nfs/dbraw/zinc/17/88/91/267178891.db2.gz JBVUJTKXIMPJNU-APWZRJJASA-N 2 2 299.462 3.348 20 30 CGEDLP CC[C@H](CC#N)[NH2+]Cc1cccc(C[NH2+][C@H](CC)CC#N)c1 ZINC000569706503 327538731 /nfs/dbraw/zinc/53/87/31/327538731.db2.gz PBKNPOLMNUORJW-QZTJIDSGSA-N 2 2 298.434 3.250 20 30 CGEDLP C=CCC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000377758530 329028284 /nfs/dbraw/zinc/02/82/84/329028284.db2.gz XGZFWJLITJUXMM-GXTWGEPZSA-N 2 2 271.364 3.157 20 30 CGEDLP C=CCC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000377758530 329028285 /nfs/dbraw/zinc/02/82/85/329028285.db2.gz XGZFWJLITJUXMM-GXTWGEPZSA-N 2 2 271.364 3.157 20 30 CGEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423445763 330202275 /nfs/dbraw/zinc/20/22/75/330202275.db2.gz YPJAAGFJRZEWCW-WBVHZDCISA-N 2 2 258.409 3.208 20 30 CGEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000121052200 330394028 /nfs/dbraw/zinc/39/40/28/330394028.db2.gz QSZMVMMKWNIUDO-RDJZCZTQSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000121052200 330394029 /nfs/dbraw/zinc/39/40/29/330394029.db2.gz QSZMVMMKWNIUDO-RDJZCZTQSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000121052041 330395434 /nfs/dbraw/zinc/39/54/34/330395434.db2.gz QSZMVMMKWNIUDO-NVXWUHKLSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CCC[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000121052041 330395435 /nfs/dbraw/zinc/39/54/35/330395435.db2.gz QSZMVMMKWNIUDO-NVXWUHKLSA-N 2 2 262.441 3.338 20 30 CGEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCC(C)(C)C#N ZINC000312191928 333078308 /nfs/dbraw/zinc/07/83/08/333078308.db2.gz SVMZCETUBCYMFA-CVEARBPZSA-N 2 2 277.456 3.265 20 30 CGEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCC(C)(C)C#N ZINC000312191928 333078309 /nfs/dbraw/zinc/07/83/09/333078309.db2.gz SVMZCETUBCYMFA-CVEARBPZSA-N 2 2 277.456 3.265 20 30 CGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC(C)(C)C#N ZINC000312191928 333078310 /nfs/dbraw/zinc/07/83/10/333078310.db2.gz SVMZCETUBCYMFA-CVEARBPZSA-N 2 2 277.456 3.265 20 30 CGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCC(C)(C)C#N ZINC000312191928 333078311 /nfs/dbraw/zinc/07/83/11/333078311.db2.gz SVMZCETUBCYMFA-CVEARBPZSA-N 2 2 277.456 3.265 20 30 CGEDLP Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+]2C)[nH+]1 ZINC000330210590 534518756 /nfs/dbraw/zinc/51/87/56/534518756.db2.gz CLPLYQDGIXWHJC-AWEZNQCLSA-N 2 2 284.363 3.067 20 30 CGEDLP Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+]2C)[nH+]1 ZINC000330210590 534518763 /nfs/dbraw/zinc/51/87/63/534518763.db2.gz CLPLYQDGIXWHJC-AWEZNQCLSA-N 2 2 284.363 3.067 20 30 CGEDLP C=CCCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189889848 534736550 /nfs/dbraw/zinc/73/65/50/534736550.db2.gz SKYIERFGGAMAMM-CQSZACIVSA-N 2 2 255.365 3.489 20 30 CGEDLP C=CCCCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347112716 527133574 /nfs/dbraw/zinc/13/35/74/527133574.db2.gz ZZTVXRYSDINGOD-INIZCTEOSA-N 2 2 260.381 3.281 20 30 CGEDLP C=CCCCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347112716 527133578 /nfs/dbraw/zinc/13/35/78/527133578.db2.gz ZZTVXRYSDINGOD-INIZCTEOSA-N 2 2 260.381 3.281 20 30 CGEDLP C=CCC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccco1 ZINC000353675724 527451465 /nfs/dbraw/zinc/45/14/65/527451465.db2.gz WCYQMMHEOSYTDB-ZIAGYGMSSA-N 2 2 271.364 3.088 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(O)cc(Cl)c2)CC1 ZINC000892881205 618947890 /nfs/dbraw/zinc/94/78/90/618947890.db2.gz RCILFQCIAATSHC-UHFFFAOYSA-N 2 2 294.826 3.176 20 30 CGEDLP N#CC1CCC([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000895705669 619873172 /nfs/dbraw/zinc/87/31/72/619873172.db2.gz DXHZUSFFVOEURQ-VJFUWPCTSA-N 2 2 294.402 3.296 20 30 CGEDLP CC(C)n1c[nH+]cc1/C=C/C(=O)c1cccc(C[NH+](C)C)c1 ZINC000905077897 622032503 /nfs/dbraw/zinc/03/25/03/622032503.db2.gz IRLXCLHQSLXDEO-CMDGGOBGSA-N 2 2 297.402 3.422 20 30 CGEDLP C=CCCCCC[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000810253201 630860543 /nfs/dbraw/zinc/86/05/43/630860543.db2.gz OBDQTBKHCFVTKH-KBPBESRZSA-N 2 2 261.413 3.382 20 30 CGEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000817953222 632247429 /nfs/dbraw/zinc/24/74/29/632247429.db2.gz XMVMZHUZEVMMID-UKRRQHHQSA-N 2 2 294.826 3.221 20 30 CGEDLP CCOc1ccc(/C=[NH+]/CCCC[N@H+](C)C2CC2)c(O)c1 ZINC000840708411 635038216 /nfs/dbraw/zinc/03/82/16/635038216.db2.gz APYLQZRKPNEBFP-QGOAFFKASA-N 2 2 290.407 3.084 20 30 CGEDLP CCOc1ccc(/C=[NH+]/CCCC[N@@H+](C)C2CC2)c(O)c1 ZINC000840708411 635038219 /nfs/dbraw/zinc/03/82/19/635038219.db2.gz APYLQZRKPNEBFP-QGOAFFKASA-N 2 2 290.407 3.084 20 30 CGEDLP C=CC[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000878403146 635490554 /nfs/dbraw/zinc/49/05/54/635490554.db2.gz VRYDXTPVOCUJDJ-HNNXBMFYSA-N 2 2 261.413 3.340 20 30 CGEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473210 636006997 /nfs/dbraw/zinc/00/69/97/636006997.db2.gz SUXRISUBIOAUCY-OAHLLOKOSA-N 2 2 283.419 3.179 20 30 CGEDLP C=C(C)CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569430 636022630 /nfs/dbraw/zinc/02/26/30/636022630.db2.gz KTJAGMNPGHJWAL-INIZCTEOSA-N 2 2 255.365 3.180 20 30 CGEDLP C=CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000883218366 636593178 /nfs/dbraw/zinc/59/31/78/636593178.db2.gz YXRGMKFRBKZAJA-ZWKOTPCHSA-N 2 2 295.430 3.365 20 30 CGEDLP C[N@@H+]1CCC[C@H](CCNc2[nH+]ccc3ccc(C#N)cc32)C1 ZINC001156378931 805680019 /nfs/dbraw/zinc/68/00/19/805680019.db2.gz RFRIPMBNEWKJEL-CQSZACIVSA-N 2 2 294.402 3.250 20 30 CGEDLP C[N@H+]1CCC[C@H](CCNc2[nH+]ccc3ccc(C#N)cc32)C1 ZINC001156378931 805680021 /nfs/dbraw/zinc/68/00/21/805680021.db2.gz RFRIPMBNEWKJEL-CQSZACIVSA-N 2 2 294.402 3.250 20 30 CGEDLP C=CCCCCCC[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000310716770 799222180 /nfs/dbraw/zinc/22/21/80/799222180.db2.gz WRNGTKUPSCQWFM-INIZCTEOSA-N 2 2 250.430 3.293 20 30 CGEDLP C=CCCCCCC[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000310716770 799222185 /nfs/dbraw/zinc/22/21/85/799222185.db2.gz WRNGTKUPSCQWFM-INIZCTEOSA-N 2 2 250.430 3.293 20 30 CGEDLP C=CCCCCCC[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000310716770 799222190 /nfs/dbraw/zinc/22/21/90/799222190.db2.gz WRNGTKUPSCQWFM-INIZCTEOSA-N 2 2 250.430 3.293 20 30 CGEDLP C=CCCCCCC[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000310716770 799222196 /nfs/dbraw/zinc/22/21/96/799222196.db2.gz WRNGTKUPSCQWFM-INIZCTEOSA-N 2 2 250.430 3.293 20 30 CGEDLP C=CCCCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000385167687 799423609 /nfs/dbraw/zinc/42/36/09/799423609.db2.gz NVKBVNZVEPTFRT-HUUCEWRRSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCCCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000385167687 799423613 /nfs/dbraw/zinc/42/36/13/799423613.db2.gz NVKBVNZVEPTFRT-HUUCEWRRSA-N 2 2 250.430 3.338 20 30 CGEDLP CC(C)(C)[NH+]1CCC([N@@H+]2CCc3ccc(C#N)cc3C2)CC1 ZINC001256569536 806917741 /nfs/dbraw/zinc/91/77/41/806917741.db2.gz IUNJSRKWMPPXRX-UHFFFAOYSA-N 2 2 297.446 3.179 20 30 CGEDLP CC(C)(C)[NH+]1CCC([N@H+]2CCc3ccc(C#N)cc3C2)CC1 ZINC001256569536 806917744 /nfs/dbraw/zinc/91/77/44/806917744.db2.gz IUNJSRKWMPPXRX-UHFFFAOYSA-N 2 2 297.446 3.179 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC001245996558 804095012 /nfs/dbraw/zinc/09/50/12/804095012.db2.gz VSQGAORGRXNDPB-ZWKOTPCHSA-N 2 2 292.467 3.388 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001245988845 804095821 /nfs/dbraw/zinc/09/58/21/804095821.db2.gz XIENJAFJLUGFSQ-IAGOWNOFSA-N 2 2 296.499 3.220 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[NH2+][C@]1(C)CC[NH2+]C1 ZINC001245989336 804095877 /nfs/dbraw/zinc/09/58/77/804095877.db2.gz GKCVYMSQIKWACL-IAGOWNOFSA-N 2 2 284.488 3.220 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246028130 804100725 /nfs/dbraw/zinc/10/07/25/804100725.db2.gz ZMKKSHRGFPXCGQ-ROUUACIJSA-N 2 2 294.483 3.092 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001246028130 804100729 /nfs/dbraw/zinc/10/07/29/804100729.db2.gz ZMKKSHRGFPXCGQ-ROUUACIJSA-N 2 2 294.483 3.092 20 30 CGEDLP CCCCCCC[C@H](CC)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246086626 804120648 /nfs/dbraw/zinc/12/06/48/804120648.db2.gz BEAJVDVGUWMXIJ-KKUMJFAQSA-N 2 2 258.425 3.415 20 30 CGEDLP CCCCCCCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246090003 804122440 /nfs/dbraw/zinc/12/24/40/804122440.db2.gz UOQFQDWCTDAHRF-HZPDHXFCSA-N 2 2 270.461 3.094 20 30 CGEDLP CC[C@H]1CC([N@H+](CCC#N)C2CCCC2)C[C@H](CC)[NH2+]1 ZINC001246768675 804502118 /nfs/dbraw/zinc/50/21/18/804502118.db2.gz GDZSWPJFMNPQLZ-GJZGRUSLSA-N 2 2 277.456 3.454 20 30 CGEDLP CC[C@H]1CC([N@@H+](CCC#N)C2CCCC2)C[C@H](CC)[NH2+]1 ZINC001246768675 804502121 /nfs/dbraw/zinc/50/21/21/804502121.db2.gz GDZSWPJFMNPQLZ-GJZGRUSLSA-N 2 2 277.456 3.454 20 30 CGEDLP CCCC[N@H+](CCC#N)[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246768731 804502805 /nfs/dbraw/zinc/50/28/05/804502805.db2.gz GXLIRNOYOAHLEB-MUJYYYPQSA-N 2 2 265.445 3.311 20 30 CGEDLP CCCC[N@@H+](CCC#N)[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246768731 804502810 /nfs/dbraw/zinc/50/28/10/804502810.db2.gz GXLIRNOYOAHLEB-MUJYYYPQSA-N 2 2 265.445 3.311 20 30 CGEDLP CCCCCCC[C@@H](CC(C)C)[NH2+]C1(C[NH3+])COC1 ZINC001258715963 807566797 /nfs/dbraw/zinc/56/67/97/807566797.db2.gz PCQLACLMPAFQNP-HNNXBMFYSA-N 2 2 270.461 3.079 20 30 CGEDLP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001258727655 807574528 /nfs/dbraw/zinc/57/45/28/807574528.db2.gz HJAIHRXQLYARKA-QRQLOZEOSA-N 2 2 299.462 3.190 20 30 CGEDLP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001258727655 807574531 /nfs/dbraw/zinc/57/45/31/807574531.db2.gz HJAIHRXQLYARKA-QRQLOZEOSA-N 2 2 299.462 3.190 20 30 CGEDLP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001258727655 807574535 /nfs/dbraw/zinc/57/45/35/807574535.db2.gz HJAIHRXQLYARKA-QRQLOZEOSA-N 2 2 299.462 3.190 20 30 CGEDLP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001258727655 807574539 /nfs/dbraw/zinc/57/45/39/807574539.db2.gz HJAIHRXQLYARKA-QRQLOZEOSA-N 2 2 299.462 3.190 20 30 CGEDLP CCCCCCCCC[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001275132638 808914065 /nfs/dbraw/zinc/91/40/65/808914065.db2.gz ZVECKPCMAZYEJX-UHFFFAOYSA-N 2 2 252.446 3.375 20 30 CGEDLP CCCCCCCCC[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001275132638 808914070 /nfs/dbraw/zinc/91/40/70/808914070.db2.gz ZVECKPCMAZYEJX-UHFFFAOYSA-N 2 2 252.446 3.375 20 30 CGEDLP CC#CCC[NH2+][C@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001180469233 810003908 /nfs/dbraw/zinc/00/39/08/810003908.db2.gz HXQCLIUQEMCRRJ-WMZOPIPTSA-N 2 2 270.420 3.043 20 30 CGEDLP CC#CCC[NH2+][C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001180469233 810003912 /nfs/dbraw/zinc/00/39/12/810003912.db2.gz HXQCLIUQEMCRRJ-WMZOPIPTSA-N 2 2 270.420 3.043 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)CC1 ZINC001208178303 813728679 /nfs/dbraw/zinc/72/86/79/813728679.db2.gz PXPZCBCDEADLRH-FGTMMUONSA-N 2 2 274.452 3.315 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)CC1 ZINC001208178303 813728684 /nfs/dbraw/zinc/72/86/84/813728684.db2.gz PXPZCBCDEADLRH-FGTMMUONSA-N 2 2 274.452 3.315 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001208178303 813728687 /nfs/dbraw/zinc/72/86/87/813728687.db2.gz PXPZCBCDEADLRH-FGTMMUONSA-N 2 2 274.452 3.315 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001208178303 813728692 /nfs/dbraw/zinc/72/86/92/813728692.db2.gz PXPZCBCDEADLRH-FGTMMUONSA-N 2 2 274.452 3.315 20 30 CGEDLP C=CCCCC[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001209200064 813962309 /nfs/dbraw/zinc/96/23/09/813962309.db2.gz AMOMJRYHANGOEP-UHFFFAOYSA-N 2 2 260.381 3.281 20 30 CGEDLP Cc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)ccc1C#N ZINC001242769206 823127820 /nfs/dbraw/zinc/12/78/20/823127820.db2.gz IPMYONYISPUEMP-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)ccc1C#N ZINC001242769206 823127822 /nfs/dbraw/zinc/12/78/22/823127822.db2.gz IPMYONYISPUEMP-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP C=CCCCCCCC[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222192069 816372438 /nfs/dbraw/zinc/37/24/38/816372438.db2.gz SUVFPIGCZVHQDU-INIZCTEOSA-N 2 2 250.430 3.341 20 30 CGEDLP C=CCCCCCCC[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222192069 816372443 /nfs/dbraw/zinc/37/24/43/816372443.db2.gz SUVFPIGCZVHQDU-INIZCTEOSA-N 2 2 250.430 3.341 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC001222464698 816450299 /nfs/dbraw/zinc/45/02/99/816450299.db2.gz CIWVDPQLWZVZRR-IAGOWNOFSA-N 2 2 260.425 3.117 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC001222464698 816450303 /nfs/dbraw/zinc/45/03/03/816450303.db2.gz CIWVDPQLWZVZRR-IAGOWNOFSA-N 2 2 260.425 3.117 20 30 CGEDLP C#Cc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC001231656795 818150897 /nfs/dbraw/zinc/15/08/97/818150897.db2.gz RPWFVUAOSFMFCJ-UHFFFAOYSA-N 2 2 282.431 3.118 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001461045479 937561675 /nfs/dbraw/zinc/56/16/75/937561675.db2.gz PXKSPROCIGCKKJ-BZUAXINKSA-N 2 2 250.430 3.053 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001461045479 937561677 /nfs/dbraw/zinc/56/16/77/937561677.db2.gz PXKSPROCIGCKKJ-BZUAXINKSA-N 2 2 250.430 3.053 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001474136579 937841806 /nfs/dbraw/zinc/84/18/06/937841806.db2.gz JHSPMOJSJPVIPC-PMPSAXMXSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001474136579 937841808 /nfs/dbraw/zinc/84/18/08/937841808.db2.gz JHSPMOJSJPVIPC-PMPSAXMXSA-N 2 2 264.457 3.441 20 30 CGEDLP C[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000337390991 214049320 /nfs/dbraw/zinc/04/93/20/214049320.db2.gz NONSGZNOXAPEFM-KXBFYZLASA-N 2 2 297.446 3.301 20 30 CGEDLP C=CC[C@H]1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000651677882 398268081 /nfs/dbraw/zinc/26/80/81/398268081.db2.gz YDCQQSPLEJVJMD-RDJZCZTQSA-N 2 2 285.435 3.385 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@]2(C)CC)CC1 ZINC000651700576 398271355 /nfs/dbraw/zinc/27/13/55/398271355.db2.gz LDIXBXHJHWYACN-HOTGVXAUSA-N 2 2 250.430 3.195 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000591577344 346929140 /nfs/dbraw/zinc/92/91/40/346929140.db2.gz UQAKMJCGUWYOKW-OALUTQOASA-N 2 2 291.398 3.225 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000591577343 346929345 /nfs/dbraw/zinc/92/93/45/346929345.db2.gz UQAKMJCGUWYOKW-MOPGFXCFSA-N 2 2 291.398 3.225 20 30 CGEDLP CC(C)(C#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592507134 346993857 /nfs/dbraw/zinc/99/38/57/346993857.db2.gz HPRLCUMTRHTKJP-QGZVFWFLSA-N 2 2 297.446 3.323 20 30 CGEDLP CC(C)(C#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592507134 346993861 /nfs/dbraw/zinc/99/38/61/346993861.db2.gz HPRLCUMTRHTKJP-QGZVFWFLSA-N 2 2 297.446 3.323 20 30 CGEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092071397 345830516 /nfs/dbraw/zinc/83/05/16/345830516.db2.gz ZQERJABVMKXWSV-INIZCTEOSA-N 2 2 297.402 3.354 20 30 CGEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092071397 345830518 /nfs/dbraw/zinc/83/05/18/345830518.db2.gz ZQERJABVMKXWSV-INIZCTEOSA-N 2 2 297.402 3.354 20 30 CGEDLP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C#N ZINC000599331083 347735869 /nfs/dbraw/zinc/73/58/69/347735869.db2.gz GHOPNCMFRGTQBH-YJBOKZPZSA-N 2 2 294.402 3.146 20 30 CGEDLP CC(C)[C@H](C[NH2+]C[C@H](C)CCC#N)[NH+]1CCCCCC1 ZINC000602513043 347973296 /nfs/dbraw/zinc/97/32/96/347973296.db2.gz YVSCWMIRKVUFAI-SJORKVTESA-N 2 2 279.472 3.416 20 30 CGEDLP Cc1ccc([C@H](C[NH2+]C2CCC(C#N)CC2)[NH+](C)C)cc1 ZINC000602523360 347975839 /nfs/dbraw/zinc/97/58/39/347975839.db2.gz BNGWLLBVWXOXMC-VJFUWPCTSA-N 2 2 285.435 3.270 20 30 CGEDLP Cc1ccc([C@H](C[NH2+]C[C@H](C)CCC#N)[NH+](C)C)cc1 ZINC000602524648 347975882 /nfs/dbraw/zinc/97/58/82/347975882.db2.gz OGBQIAFNFRVQSI-WBVHZDCISA-N 2 2 273.424 3.127 20 30 CGEDLP C=CCC[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000273425264 192145806 /nfs/dbraw/zinc/14/58/06/192145806.db2.gz KCYZDHCXDOBPCG-OAHLLOKOSA-N 2 2 269.392 3.376 20 30 CGEDLP C[NH+](C)C1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614159535 348653341 /nfs/dbraw/zinc/65/33/41/348653341.db2.gz CKTYQAPVAWNKFR-UHFFFAOYSA-N 2 2 285.435 3.014 20 30 CGEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000359900969 233391533 /nfs/dbraw/zinc/39/15/33/233391533.db2.gz PTYIVGUGRVWTDD-YOEHRIQHSA-N 2 2 294.402 3.291 20 30 CGEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1Cl ZINC000629396253 350688646 /nfs/dbraw/zinc/68/86/46/350688646.db2.gz JSAXGJHDGSFASW-JSGCOSHPSA-N 2 2 294.826 3.135 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000177911944 189078998 /nfs/dbraw/zinc/07/89/98/189078998.db2.gz YMZZAFCYUXOZLZ-ZDUSSCGKSA-N 2 2 262.372 3.127 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000177911975 189079030 /nfs/dbraw/zinc/07/90/30/189079030.db2.gz LMRAKWJLUOWMEZ-GOSISDBHSA-N 2 2 270.420 3.304 20 30 CGEDLP C[NH+](C)C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000127404247 370951368 /nfs/dbraw/zinc/95/13/68/370951368.db2.gz FTUNLJWONPREMU-UHFFFAOYSA-N 2 2 285.435 3.014 20 30 CGEDLP C[C@H]([NH2+]CCCCC#N)c1ccc(-n2cc[nH+]c2)cc1 ZINC000131023080 371077015 /nfs/dbraw/zinc/07/70/15/371077015.db2.gz YJXJCTWHMPQKAJ-AWEZNQCLSA-N 2 2 268.364 3.217 20 30 CGEDLP Cc1ccc(CCC[N@@H+](C)Cc2ccc(C#N)cc2)c[nH+]1 ZINC000353379597 220052264 /nfs/dbraw/zinc/05/22/64/220052264.db2.gz ISWUOBJRJZUEKY-UHFFFAOYSA-N 2 2 279.387 3.326 20 30 CGEDLP Cc1ccc(CCC[N@H+](C)Cc2ccc(C#N)cc2)c[nH+]1 ZINC000353379597 220052266 /nfs/dbraw/zinc/05/22/66/220052266.db2.gz ISWUOBJRJZUEKY-UHFFFAOYSA-N 2 2 279.387 3.326 20 30 CGEDLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442656275 373061802 /nfs/dbraw/zinc/06/18/02/373061802.db2.gz WEULDPBGVXZEHO-KBAYOESNSA-N 2 2 285.435 3.351 20 30 CGEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000442763790 373074768 /nfs/dbraw/zinc/07/47/68/373074768.db2.gz GWHOWQDXGJITIR-QRVBRYPASA-N 2 2 297.446 3.323 20 30 CGEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000442763790 373074780 /nfs/dbraw/zinc/07/47/80/373074780.db2.gz GWHOWQDXGJITIR-QRVBRYPASA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@H]([NH2+]C(C)(C)C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442784293 373079257 /nfs/dbraw/zinc/07/92/57/373079257.db2.gz RWWHJYRVPYIHDO-ZMSDIMECSA-N 2 2 285.435 3.398 20 30 CGEDLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[NH+]2CCCC2)cc1 ZINC000442789953 373081946 /nfs/dbraw/zinc/08/19/46/373081946.db2.gz FOCMBUJUPFEOLQ-QRQLOZEOSA-N 2 2 297.446 3.414 20 30 CGEDLP C=CCC[C@H](CC)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000446978191 373388966 /nfs/dbraw/zinc/38/89/66/373388966.db2.gz VPCJKURNGXUJTH-GOEBONIOSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@H](CC)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000446978191 373388980 /nfs/dbraw/zinc/38/89/80/373388980.db2.gz VPCJKURNGXUJTH-GOEBONIOSA-N 2 2 250.430 3.338 20 30 CGEDLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000447905262 373522106 /nfs/dbraw/zinc/52/21/06/373522106.db2.gz SXZSIYMVUOWYKZ-CQSZACIVSA-N 2 2 265.445 3.026 20 30 CGEDLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000447905262 373522110 /nfs/dbraw/zinc/52/21/10/373522110.db2.gz SXZSIYMVUOWYKZ-CQSZACIVSA-N 2 2 265.445 3.026 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C(C)C)C2)CC1 ZINC000474710785 375127108 /nfs/dbraw/zinc/12/71/08/375127108.db2.gz QLLBYGKLOQDULX-WBVHZDCISA-N 2 2 264.457 3.441 20 30 CGEDLP Cc1cc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000336096249 375684013 /nfs/dbraw/zinc/68/40/13/375684013.db2.gz XPIOKURHLMRJRY-KBXCAEBGSA-N 2 2 294.402 3.146 20 30 CGEDLP Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000336096249 375684018 /nfs/dbraw/zinc/68/40/18/375684018.db2.gz XPIOKURHLMRJRY-KBXCAEBGSA-N 2 2 294.402 3.146 20 30 CGEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000336540799 375817952 /nfs/dbraw/zinc/81/79/52/375817952.db2.gz VCQAABDUTSXGRT-OAHLLOKOSA-N 2 2 291.826 3.128 20 30 CGEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000336540799 375817960 /nfs/dbraw/zinc/81/79/60/375817960.db2.gz VCQAABDUTSXGRT-OAHLLOKOSA-N 2 2 291.826 3.128 20 30 CGEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000156307719 542127838 /nfs/dbraw/zinc/12/78/38/542127838.db2.gz QHAMDFAMDQWGFD-UKRRQHHQSA-N 2 2 271.408 3.376 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000278377244 379366624 /nfs/dbraw/zinc/36/66/24/379366624.db2.gz CTSPWTXMLNVENP-CYBMUJFWSA-N 2 2 262.397 3.197 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2C)CC1 ZINC000414082615 380189796 /nfs/dbraw/zinc/18/97/96/380189796.db2.gz FRGWAGXQXNNGJY-OAHLLOKOSA-N 2 2 288.435 3.305 20 30 CGEDLP C=CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC000089426381 392227839 /nfs/dbraw/zinc/22/78/39/392227839.db2.gz VBGCEHIBUGRKSP-SFHVURJKSA-N 2 2 283.419 3.031 20 30 CGEDLP C=CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC000089426381 392227840 /nfs/dbraw/zinc/22/78/40/392227840.db2.gz VBGCEHIBUGRKSP-SFHVURJKSA-N 2 2 283.419 3.031 20 30 CGEDLP C=CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(C#N)c1 ZINC000089426381 392227841 /nfs/dbraw/zinc/22/78/41/392227841.db2.gz VBGCEHIBUGRKSP-SFHVURJKSA-N 2 2 283.419 3.031 20 30 CGEDLP C=CC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(C#N)c1 ZINC000089426381 392227842 /nfs/dbraw/zinc/22/78/42/392227842.db2.gz VBGCEHIBUGRKSP-SFHVURJKSA-N 2 2 283.419 3.031 20 30 CGEDLP C[NH+](C)[C@H](C[NH2+]CC(C)(C)CCC#N)c1ccccc1 ZINC000135128700 392472995 /nfs/dbraw/zinc/47/29/95/392472995.db2.gz HRRGJQLAIZFMLQ-MRXNPFEDSA-N 2 2 273.424 3.209 20 30 CGEDLP C=C(C)C[N@@H+](CC)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346180497 393078153 /nfs/dbraw/zinc/07/81/53/393078153.db2.gz QDNWZYXOHKGLNQ-UHFFFAOYSA-N 2 2 261.394 3.332 20 30 CGEDLP C=C(C)C[N@H+](CC)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346180497 393078157 /nfs/dbraw/zinc/07/81/57/393078157.db2.gz QDNWZYXOHKGLNQ-UHFFFAOYSA-N 2 2 261.394 3.332 20 30 CGEDLP CC[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)[NH+]1CCCC1 ZINC000353412202 393220663 /nfs/dbraw/zinc/22/06/63/393220663.db2.gz LDWFUKQBIXYMJC-AEFFLSMTSA-N 2 2 283.419 3.010 20 30 CGEDLP C=C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000675933593 543375206 /nfs/dbraw/zinc/37/52/06/543375206.db2.gz HZEYZQGEEFOOGN-CYBMUJFWSA-N 2 2 278.827 3.469 20 30 CGEDLP C=C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000675933955 543375284 /nfs/dbraw/zinc/37/52/84/543375284.db2.gz YBFIXYZYGLXZRD-CYBMUJFWSA-N 2 2 278.827 3.469 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000430770751 227217068 /nfs/dbraw/zinc/21/70/68/227217068.db2.gz VPXBVTQUGUMMQE-FUHWJXTLSA-N 2 2 297.446 3.180 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000430770751 227217073 /nfs/dbraw/zinc/21/70/73/227217073.db2.gz VPXBVTQUGUMMQE-FUHWJXTLSA-N 2 2 297.446 3.180 20 30 CGEDLP C=CCOCCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000657658282 419320500 /nfs/dbraw/zinc/32/05/00/419320500.db2.gz RCDLQZHJXXGLAM-FUHWJXTLSA-N 2 2 288.435 3.004 20 30 CGEDLP C=CCOCCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000657658282 419320502 /nfs/dbraw/zinc/32/05/02/419320502.db2.gz RCDLQZHJXXGLAM-FUHWJXTLSA-N 2 2 288.435 3.004 20 30 CGEDLP C=CCC[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)C1CC1 ZINC000120093836 263280946 /nfs/dbraw/zinc/28/09/46/263280946.db2.gz YFAQJWVKZWRQSH-MRXNPFEDSA-N 2 2 282.391 3.102 20 30 CGEDLP C=CCCC[C@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000341096760 263321682 /nfs/dbraw/zinc/32/16/82/263321682.db2.gz AASAQHPTLNIANJ-JKSUJKDBSA-N 2 2 275.440 3.419 20 30 CGEDLP C=CCCC[C@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000341096760 263321684 /nfs/dbraw/zinc/32/16/84/263321684.db2.gz AASAQHPTLNIANJ-JKSUJKDBSA-N 2 2 275.440 3.419 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CC[C@@H]1SC)C(C)C ZINC000425362400 264134685 /nfs/dbraw/zinc/13/46/85/264134685.db2.gz USGSDZAPOBMOAJ-XHSDSOJGSA-N 2 2 282.497 3.169 20 30 CGEDLP C=CCC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CC1 ZINC000367435396 267089687 /nfs/dbraw/zinc/08/96/87/267089687.db2.gz BSVWTXLXPVMTIY-OAHLLOKOSA-N 2 2 259.397 3.054 20 30 CGEDLP C=CCC[C@H](CCC)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367435561 267090362 /nfs/dbraw/zinc/09/03/62/267090362.db2.gz CBSIYJKEDLZJTM-AWEZNQCLSA-N 2 2 261.413 3.444 20 30 CGEDLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000418144698 267364988 /nfs/dbraw/zinc/36/49/88/267364988.db2.gz UTOHZKINNOPBPT-WBVHZDCISA-N 2 2 289.467 3.313 20 30 CGEDLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000353986181 276009118 /nfs/dbraw/zinc/00/91/18/276009118.db2.gz HJCUDICQSUBYEE-QZTJIDSGSA-N 2 2 285.435 3.473 20 30 CGEDLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000353986181 276009119 /nfs/dbraw/zinc/00/91/19/276009119.db2.gz HJCUDICQSUBYEE-QZTJIDSGSA-N 2 2 285.435 3.473 20 30 CGEDLP C[NH+](C)C1(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000417352838 276771466 /nfs/dbraw/zinc/77/14/66/276771466.db2.gz HGVUPOAFIAMAOX-KRWDZBQOSA-N 2 2 283.419 3.010 20 30 CGEDLP N#CCCC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000433026852 330613065 /nfs/dbraw/zinc/61/30/65/330613065.db2.gz IFQIIICESLMDCN-KRWDZBQOSA-N 2 2 282.391 3.298 20 30 CGEDLP Cc1[nH+]cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1C ZINC000569020821 334851724 /nfs/dbraw/zinc/85/17/24/334851724.db2.gz HJYGCZIRZLSONF-KRWDZBQOSA-N 2 2 282.391 3.253 20 30 CGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000577584707 335373443 /nfs/dbraw/zinc/37/34/43/335373443.db2.gz WAEOXGZBPPBHQT-MLHJIOFPSA-N 2 2 294.483 3.231 20 30 CGEDLP CC[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000902484210 621352540 /nfs/dbraw/zinc/35/25/40/621352540.db2.gz USBYTJHPZNNOOC-IAGOWNOFSA-N 2 2 271.408 3.131 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC(C)C)C2CCOCC2)CC1 ZINC000902796394 621451980 /nfs/dbraw/zinc/45/19/80/621451980.db2.gz PNYUGUMGHPTGEV-SFHVURJKSA-N 2 2 294.483 3.068 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2cccc(C#N)c2)CC1 ZINC000902796004 621452012 /nfs/dbraw/zinc/45/20/12/621452012.db2.gz KWOJHNCGRADIRN-SFHVURJKSA-N 2 2 283.419 3.249 20 30 CGEDLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000902797766 621452329 /nfs/dbraw/zinc/45/23/29/621452329.db2.gz YRCPUUFBMGURBB-ZWKOTPCHSA-N 2 2 283.419 3.083 20 30 CGEDLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000902797766 621452341 /nfs/dbraw/zinc/45/23/41/621452341.db2.gz YRCPUUFBMGURBB-ZWKOTPCHSA-N 2 2 283.419 3.083 20 30 CGEDLP C=CC[C@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000773011547 627842163 /nfs/dbraw/zinc/84/21/63/627842163.db2.gz UYWHECMQEZHWJY-HNNXBMFYSA-N 2 2 287.451 3.276 20 30 CGEDLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000795798179 629716849 /nfs/dbraw/zinc/71/68/49/629716849.db2.gz ZESLMLVTTWPGQL-HNAYVOBHSA-N 2 2 297.446 3.400 20 30 CGEDLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000795798179 629716854 /nfs/dbraw/zinc/71/68/54/629716854.db2.gz ZESLMLVTTWPGQL-HNAYVOBHSA-N 2 2 297.446 3.400 20 30 CGEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000866561840 633192744 /nfs/dbraw/zinc/19/27/44/633192744.db2.gz MLQGUMXRMULKGA-BFYDXBDKSA-N 2 2 275.440 3.065 20 30 CGEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000866561840 633192750 /nfs/dbraw/zinc/19/27/50/633192750.db2.gz MLQGUMXRMULKGA-BFYDXBDKSA-N 2 2 275.440 3.065 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000866561958 633194169 /nfs/dbraw/zinc/19/41/69/633194169.db2.gz MQPMZTOZVZXNPH-RYRKJORJSA-N 2 2 289.467 3.455 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000866561958 633194174 /nfs/dbraw/zinc/19/41/74/633194174.db2.gz MQPMZTOZVZXNPH-RYRKJORJSA-N 2 2 289.467 3.455 20 30 CGEDLP C#C[C@H]1CC[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000873198452 634283466 /nfs/dbraw/zinc/28/34/66/634283466.db2.gz KVYPMPAQUDYAKH-HDJSIYSDSA-N 2 2 285.416 3.215 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835037625 634328593 /nfs/dbraw/zinc/32/85/93/634328593.db2.gz QVMZDVOKSIKDFA-AATRIKPKSA-N 2 2 299.462 3.006 20 30 CGEDLP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931351236 639139560 /nfs/dbraw/zinc/13/95/60/639139560.db2.gz ILAIMPKBSPHVOS-AWEZNQCLSA-N 2 2 271.408 3.035 20 30 CGEDLP C=CC[C@@H]([NH2+][C@H]1CC2CC[NH+](CC2)C1)c1ccccc1 ZINC001254852154 806498958 /nfs/dbraw/zinc/49/89/58/806498958.db2.gz QVMRHEAEJCOIGY-ZWKOTPCHSA-N 2 2 270.420 3.378 20 30 CGEDLP C[NH+]1CCC([N@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001256207674 806850743 /nfs/dbraw/zinc/85/07/43/806850743.db2.gz NWYZLCIRGKIEOV-UHFFFAOYSA-N 2 2 277.456 3.409 20 30 CGEDLP C[NH+]1CCC([N@@H+](CCC#N)C2CCCCCCC2)CC1 ZINC001256207674 806850746 /nfs/dbraw/zinc/85/07/46/806850746.db2.gz NWYZLCIRGKIEOV-UHFFFAOYSA-N 2 2 277.456 3.409 20 30 CGEDLP C=CCc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1O ZINC001138628593 803986472 /nfs/dbraw/zinc/98/64/72/803986472.db2.gz XYFKYMJRXYVXTL-UHFFFAOYSA-N 2 2 297.402 3.154 20 30 CGEDLP CCCCCCCCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246090763 804121846 /nfs/dbraw/zinc/12/18/46/804121846.db2.gz ZAGXLWSFOQWIHW-SJORKVTESA-N 2 2 284.488 3.484 20 30 CGEDLP CCCCCCC[C@H](C)[NH2+][C@]1(CC(=O)OCC)CC[NH2+]C1 ZINC001246133762 804159486 /nfs/dbraw/zinc/15/94/86/804159486.db2.gz VPWKMXRUWUDLKX-RDJZCZTQSA-N 2 2 298.471 3.010 20 30 CGEDLP CCCC[C@H]1C[C@@H]([N@@H+]2CCc3ccc(C#N)cc3C2)CC[NH2+]1 ZINC001246594806 804434836 /nfs/dbraw/zinc/43/48/36/804434836.db2.gz RUNUBWGHPWPSMK-OALUTQOASA-N 2 2 297.446 3.227 20 30 CGEDLP CCCC[C@H]1C[C@@H]([N@H+]2CCc3ccc(C#N)cc3C2)CC[NH2+]1 ZINC001246594806 804434843 /nfs/dbraw/zinc/43/48/43/804434843.db2.gz RUNUBWGHPWPSMK-OALUTQOASA-N 2 2 297.446 3.227 20 30 CGEDLP C[C@@H](CC#N)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168024203 807300612 /nfs/dbraw/zinc/30/06/12/807300612.db2.gz CDKFCGHUDSWEGG-CUSZFKRNSA-N 2 2 285.435 3.320 20 30 CGEDLP C[C@@H](CC#N)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168024203 807300621 /nfs/dbraw/zinc/30/06/21/807300621.db2.gz CDKFCGHUDSWEGG-CUSZFKRNSA-N 2 2 285.435 3.320 20 30 CGEDLP C=CCC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001258720004 807568469 /nfs/dbraw/zinc/56/84/69/807568469.db2.gz OOFSBZYSGASUBX-BXUZGUMPSA-N 2 2 297.240 3.393 20 30 CGEDLP CC[NH+](CC)CCC[C@@H](C)[NH2+]C(C#N)(CC)CC ZINC001258906580 807671118 /nfs/dbraw/zinc/67/11/18/807671118.db2.gz GBELEBKINNXKFB-CQSZACIVSA-N 2 2 253.434 3.169 20 30 CGEDLP C=CCOC1CCC([NH2+][C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC001173314256 808607473 /nfs/dbraw/zinc/60/74/73/808607473.db2.gz MXOYAFSNGQUEBQ-WWDZGPRUSA-N 2 2 294.483 3.210 20 30 CGEDLP N#CCC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001173325078 808612685 /nfs/dbraw/zinc/61/26/85/808612685.db2.gz CHEHYDNAKZSEEN-UHFFFAOYSA-N 2 2 294.402 3.434 20 30 CGEDLP C=C(CC)C[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001182356641 810107838 /nfs/dbraw/zinc/10/78/38/810107838.db2.gz MOTWIDMLIZKYCO-AEFFLSMTSA-N 2 2 272.436 3.453 20 30 CGEDLP C=C(CC)C[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001182356641 810107840 /nfs/dbraw/zinc/10/78/40/810107840.db2.gz MOTWIDMLIZKYCO-AEFFLSMTSA-N 2 2 272.436 3.453 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC001202298644 812058261 /nfs/dbraw/zinc/05/82/61/812058261.db2.gz DAPMCVRIKGRYSQ-HLLBOEOZSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC001202298644 812058268 /nfs/dbraw/zinc/05/82/68/812058268.db2.gz DAPMCVRIKGRYSQ-HLLBOEOZSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CCCCCCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235236263 819043605 /nfs/dbraw/zinc/04/36/05/819043605.db2.gz WGQIGBPNGOGQHV-CVEARBPZSA-N 2 2 250.430 3.339 20 30 CGEDLP C=CCCCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235236263 819043608 /nfs/dbraw/zinc/04/36/08/819043608.db2.gz WGQIGBPNGOGQHV-CVEARBPZSA-N 2 2 250.430 3.339 20 30 CGEDLP C=C(C)COc1ccccc1C[N@@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217378 819382639 /nfs/dbraw/zinc/38/26/39/819382639.db2.gz ORXMGSOSQUVAAX-IAGOWNOFSA-N 2 2 288.435 3.343 20 30 CGEDLP C=C(C)COc1ccccc1C[N@H+](C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236217378 819382644 /nfs/dbraw/zinc/38/26/44/819382644.db2.gz ORXMGSOSQUVAAX-IAGOWNOFSA-N 2 2 288.435 3.343 20 30 CGEDLP C#C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236914890 819636837 /nfs/dbraw/zinc/63/68/37/819636837.db2.gz WNFXNIDXEDPNNQ-CQSZACIVSA-N 2 2 299.805 3.371 20 30 CGEDLP C#C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236914890 819636839 /nfs/dbraw/zinc/63/68/39/819636839.db2.gz WNFXNIDXEDPNNQ-CQSZACIVSA-N 2 2 299.805 3.371 20 30 CGEDLP CC[N@H+](Cc1cc(Cl)cc(C#N)c1)C1CC[NH+](C)CC1 ZINC001237757774 819838014 /nfs/dbraw/zinc/83/80/14/819838014.db2.gz UPDGBYTYWGYTSB-UHFFFAOYSA-N 2 2 291.826 3.128 20 30 CGEDLP CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)C1CC[NH+](C)CC1 ZINC001237757774 819838021 /nfs/dbraw/zinc/83/80/21/819838021.db2.gz UPDGBYTYWGYTSB-UHFFFAOYSA-N 2 2 291.826 3.128 20 30 CGEDLP C#CC[NH+]1CCC(Nc2cc(C)c3ccccc3[nH+]2)CC1 ZINC001355331793 937136353 /nfs/dbraw/zinc/13/63/53/937136353.db2.gz FVFSJMXQDLAADJ-UHFFFAOYSA-N 2 2 279.387 3.053 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001461158132 937566613 /nfs/dbraw/zinc/56/66/13/937566613.db2.gz CTEJNGVMXTUYSS-KBPBESRZSA-N 2 2 250.430 3.051 20 30 CGEDLP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001320878082 934116012 /nfs/dbraw/zinc/11/60/12/934116012.db2.gz ZGSILNYEXVXTKU-CXUOOODFSA-N 2 2 297.446 3.073 20 30 CGEDLP C=CCOc1cccc(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC001560365353 938255368 /nfs/dbraw/zinc/25/53/68/938255368.db2.gz VXBRPBGXKRZPDY-UHFFFAOYSA-N 2 2 297.402 3.238 20 30 CGEDLP C[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000337390987 214048307 /nfs/dbraw/zinc/04/83/07/214048307.db2.gz NONSGZNOXAPEFM-DNVCBOLYSA-N 2 2 297.446 3.301 20 30 CGEDLP C=CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000651681853 398268539 /nfs/dbraw/zinc/26/85/39/398268539.db2.gz BCBDWZIUFAKMCD-QFBILLFUSA-N 2 2 299.462 3.380 20 30 CGEDLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000591017656 346895379 /nfs/dbraw/zinc/89/53/79/346895379.db2.gz BEIRLFWWGGPOMV-INIZCTEOSA-N 2 2 277.456 3.313 20 30 CGEDLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000591017656 346895381 /nfs/dbraw/zinc/89/53/81/346895381.db2.gz BEIRLFWWGGPOMV-INIZCTEOSA-N 2 2 277.456 3.313 20 30 CGEDLP C=CCCC[C@@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000091595330 345818568 /nfs/dbraw/zinc/81/85/68/345818568.db2.gz NSFKKCPTROHJOG-ZBFHGGJFSA-N 2 2 260.381 3.280 20 30 CGEDLP C=CCCC[C@@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000091595330 345818570 /nfs/dbraw/zinc/81/85/70/345818570.db2.gz NSFKKCPTROHJOG-ZBFHGGJFSA-N 2 2 260.381 3.280 20 30 CGEDLP C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)Cn1cc[nH+]c1 ZINC000594496357 347178738 /nfs/dbraw/zinc/17/87/38/347178738.db2.gz KZNHPMUUYFCLRT-HNNXBMFYSA-N 2 2 296.418 3.110 20 30 CGEDLP C[C@H](C[NH2+]Cc1ccc(C(C)(C)C#N)cc1)Cn1cc[nH+]c1 ZINC000594496358 347178767 /nfs/dbraw/zinc/17/87/67/347178767.db2.gz KZNHPMUUYFCLRT-OAHLLOKOSA-N 2 2 296.418 3.110 20 30 CGEDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595096325 347282662 /nfs/dbraw/zinc/28/26/62/347282662.db2.gz JAGFYPMJMGUTNX-SJLPKXTDSA-N 2 2 283.419 3.010 20 30 CGEDLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595096325 347282665 /nfs/dbraw/zinc/28/26/65/347282665.db2.gz JAGFYPMJMGUTNX-SJLPKXTDSA-N 2 2 283.419 3.010 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@@H](C)CCC#N ZINC000602503346 347971401 /nfs/dbraw/zinc/97/14/01/347971401.db2.gz MSMOWVQTJHBBQN-AWEZNQCLSA-N 2 2 284.407 3.264 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000602578755 347987239 /nfs/dbraw/zinc/98/72/39/347987239.db2.gz FYJUNCNFCQPEQT-INIZCTEOSA-N 2 2 287.451 3.426 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000602578755 347987243 /nfs/dbraw/zinc/98/72/43/347987243.db2.gz FYJUNCNFCQPEQT-INIZCTEOSA-N 2 2 287.451 3.426 20 30 CGEDLP C[C@H](CCC#N)C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000602663448 348003511 /nfs/dbraw/zinc/00/35/11/348003511.db2.gz AKUWGIUYWFIBEI-OAHLLOKOSA-N 2 2 289.423 3.116 20 30 CGEDLP C[C@H](CCC#N)C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000602663448 348003512 /nfs/dbraw/zinc/00/35/12/348003512.db2.gz AKUWGIUYWFIBEI-OAHLLOKOSA-N 2 2 289.423 3.116 20 30 CGEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609823368 348354470 /nfs/dbraw/zinc/35/44/70/348354470.db2.gz ADUIIVMRIZFAAX-YOEHRIQHSA-N 2 2 280.375 3.153 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000611392860 348445186 /nfs/dbraw/zinc/44/51/86/348445186.db2.gz RELLGEIURRZRIJ-HKUYNNGSSA-N 2 2 295.430 3.010 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000611392860 348445188 /nfs/dbraw/zinc/44/51/88/348445188.db2.gz RELLGEIURRZRIJ-HKUYNNGSSA-N 2 2 295.430 3.010 20 30 CGEDLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)C#N)CC2)C1 ZINC000612585407 348530608 /nfs/dbraw/zinc/53/06/08/348530608.db2.gz BDINVTYAJONSTM-GDBMZVCRSA-N 2 2 277.456 3.169 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccs2)CC1 ZINC000177906409 189078526 /nfs/dbraw/zinc/07/85/26/189078526.db2.gz BENHETUYVPFZNL-LBPRGKRZSA-N 2 2 250.411 3.049 20 30 CGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC=CCC3)CC2)cc1 ZINC000181974794 189311515 /nfs/dbraw/zinc/31/15/15/189311515.db2.gz LOLOHHBNABPZDU-SFHVURJKSA-N 2 2 295.430 3.221 20 30 CGEDLP CCC[NH+]1CCC([N@H+](C)Cc2cc(C#N)ccc2F)CC1 ZINC000111240849 370395279 /nfs/dbraw/zinc/39/52/79/370395279.db2.gz IBYFBJCRLYGQDB-UHFFFAOYSA-N 2 2 289.398 3.004 20 30 CGEDLP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C#N)ccc2F)CC1 ZINC000111240849 370395281 /nfs/dbraw/zinc/39/52/81/370395281.db2.gz IBYFBJCRLYGQDB-UHFFFAOYSA-N 2 2 289.398 3.004 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000439077795 372972314 /nfs/dbraw/zinc/97/23/14/372972314.db2.gz NTMNURSJWTWKMM-UXLLHSPISA-N 2 2 264.457 3.441 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000439077795 372972319 /nfs/dbraw/zinc/97/23/19/372972319.db2.gz NTMNURSJWTWKMM-UXLLHSPISA-N 2 2 264.457 3.441 20 30 CGEDLP CC(C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000442782559 373080083 /nfs/dbraw/zinc/08/00/83/373080083.db2.gz OKPIEGSVYODETO-MAUKXSAKSA-N 2 2 297.446 3.105 20 30 CGEDLP CC(C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000442782559 373080091 /nfs/dbraw/zinc/08/00/91/373080091.db2.gz OKPIEGSVYODETO-MAUKXSAKSA-N 2 2 297.446 3.105 20 30 CGEDLP C=CC[C@H]1[N@H+](CCn2cc[nH+]c2C)CCCC1(C)C ZINC000444785376 373275495 /nfs/dbraw/zinc/27/54/95/373275495.db2.gz QLXPCGPLXUWQLB-OAHLLOKOSA-N 2 2 261.413 3.258 20 30 CGEDLP C=CC[C@H]1[N@@H+](CCn2cc[nH+]c2C)CCCC1(C)C ZINC000444785376 373275502 /nfs/dbraw/zinc/27/55/02/373275502.db2.gz QLXPCGPLXUWQLB-OAHLLOKOSA-N 2 2 261.413 3.258 20 30 CGEDLP N#C[C@H]1CCC[C@@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000185752519 374729959 /nfs/dbraw/zinc/72/99/59/374729959.db2.gz JOVBJMINIJTDKI-QXAKKESOSA-N 2 2 297.446 3.495 20 30 CGEDLP C=CC[C@H](CC)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000467404841 374974321 /nfs/dbraw/zinc/97/43/21/374974321.db2.gz DGBDMEPOTUWKQE-SZMVWBNQSA-N 2 2 272.436 3.451 20 30 CGEDLP C=CC[C@H](CC)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000467404841 374974329 /nfs/dbraw/zinc/97/43/29/374974329.db2.gz DGBDMEPOTUWKQE-SZMVWBNQSA-N 2 2 272.436 3.451 20 30 CGEDLP C[N@@H+](CC#Cc1cccc(Cl)c1)CCC[NH+]1CCCC1 ZINC000499931555 375633157 /nfs/dbraw/zinc/63/31/57/375633157.db2.gz YMRIYWIFPAVPNJ-UHFFFAOYSA-N 2 2 290.838 3.109 20 30 CGEDLP C[N@H+](CC#Cc1cccc(Cl)c1)CCC[NH+]1CCCC1 ZINC000499931555 375633163 /nfs/dbraw/zinc/63/31/63/375633163.db2.gz YMRIYWIFPAVPNJ-UHFFFAOYSA-N 2 2 290.838 3.109 20 30 CGEDLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000336096254 375684346 /nfs/dbraw/zinc/68/43/46/375684346.db2.gz XPIOKURHLMRJRY-RDTXWAMCSA-N 2 2 294.402 3.146 20 30 CGEDLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000336096254 375684352 /nfs/dbraw/zinc/68/43/52/375684352.db2.gz XPIOKURHLMRJRY-RDTXWAMCSA-N 2 2 294.402 3.146 20 30 CGEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000339158125 376717175 /nfs/dbraw/zinc/71/71/75/376717175.db2.gz ZTUNMNAXFYTKPU-BZUAXINKSA-N 2 2 298.434 3.091 20 30 CGEDLP C=CCC[C@@H](CCC)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000545159804 376789669 /nfs/dbraw/zinc/78/96/69/376789669.db2.gz COZLHIRICBTWRE-MRXNPFEDSA-N 2 2 250.430 3.363 20 30 CGEDLP C=CCC[C@@H](CCC)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000545159804 376789681 /nfs/dbraw/zinc/78/96/81/376789681.db2.gz COZLHIRICBTWRE-MRXNPFEDSA-N 2 2 250.430 3.363 20 30 CGEDLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]CCC#N ZINC000568618054 377521481 /nfs/dbraw/zinc/52/14/81/377521481.db2.gz HCSJENIYSYUKIR-OAHLLOKOSA-N 2 2 271.408 3.064 20 30 CGEDLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CCC#N ZINC000568618054 377521484 /nfs/dbraw/zinc/52/14/84/377521484.db2.gz HCSJENIYSYUKIR-OAHLLOKOSA-N 2 2 271.408 3.064 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C)cc2Cl)CC1 ZINC000572608156 377549323 /nfs/dbraw/zinc/54/93/23/377549323.db2.gz XFNARLRLWUIVGR-UHFFFAOYSA-N 2 2 278.827 3.388 20 30 CGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CCCC#N ZINC000270093915 378305498 /nfs/dbraw/zinc/30/54/98/378305498.db2.gz AXOJSFQCIWOGMV-OAHLLOKOSA-N 2 2 282.391 3.113 20 30 CGEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CCCC#N ZINC000270093915 378305502 /nfs/dbraw/zinc/30/55/02/378305502.db2.gz AXOJSFQCIWOGMV-OAHLLOKOSA-N 2 2 282.391 3.113 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)cccc2OC)CC1 ZINC000638525244 378826314 /nfs/dbraw/zinc/82/63/14/378826314.db2.gz VSTNOVGFKITORU-UHFFFAOYSA-N 2 2 288.435 3.134 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)C1CC1 ZINC000372186981 379190553 /nfs/dbraw/zinc/19/05/53/379190553.db2.gz UEVBSYMAZCNOBB-JKSUJKDBSA-N 2 2 273.424 3.403 20 30 CGEDLP C=CC[C@H](CC)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000281498426 379836399 /nfs/dbraw/zinc/83/63/99/379836399.db2.gz WNMHFXFKXRLLPZ-HNNXBMFYSA-N 2 2 255.365 3.317 20 30 CGEDLP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000451683630 542675604 /nfs/dbraw/zinc/67/56/04/542675604.db2.gz SFPSGKMDGLOJKP-MSOLQXFVSA-N 2 2 297.402 3.004 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3occc3c2)CC1 ZINC000286410876 392381944 /nfs/dbraw/zinc/38/19/44/392381944.db2.gz HXVNUZZWAFLHLC-UHFFFAOYSA-N 2 2 270.376 3.173 20 30 CGEDLP CC(C)[NH2+]C1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118397472 392393270 /nfs/dbraw/zinc/39/32/70/392393270.db2.gz WCXLCPPJJYVRHD-AWEZNQCLSA-N 2 2 271.408 3.082 20 30 CGEDLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000339095797 392949513 /nfs/dbraw/zinc/94/95/13/392949513.db2.gz ILPUJXVBMLVEQE-QRVBRYPASA-N 2 2 299.462 3.425 20 30 CGEDLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000339095797 392949520 /nfs/dbraw/zinc/94/95/20/392949520.db2.gz ILPUJXVBMLVEQE-QRVBRYPASA-N 2 2 299.462 3.425 20 30 CGEDLP C[C@H](CCC#N)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000411688033 392984059 /nfs/dbraw/zinc/98/40/59/392984059.db2.gz HPQOXFNUZZUBON-CABCVRRESA-N 2 2 286.423 3.091 20 30 CGEDLP C[C@H](CCC#N)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000411688033 392984066 /nfs/dbraw/zinc/98/40/66/392984066.db2.gz HPQOXFNUZZUBON-CABCVRRESA-N 2 2 286.423 3.091 20 30 CGEDLP C=CCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000657583579 419309639 /nfs/dbraw/zinc/30/96/39/419309639.db2.gz OFRGKDHXXLTAIL-UHFFFAOYSA-N 2 2 278.827 3.470 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC=C)CC1 ZINC000657874902 419397922 /nfs/dbraw/zinc/39/79/22/419397922.db2.gz CHTOYXCWZPWPFL-WBVHZDCISA-N 2 2 262.441 3.361 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000657878594 419401942 /nfs/dbraw/zinc/40/19/42/419401942.db2.gz WVELAPWJUFILGA-IKGGRYGDSA-N 2 2 262.441 3.195 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000657878594 419401948 /nfs/dbraw/zinc/40/19/48/419401948.db2.gz WVELAPWJUFILGA-IKGGRYGDSA-N 2 2 262.441 3.195 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)C1CC1 ZINC000658055027 419525170 /nfs/dbraw/zinc/52/51/70/419525170.db2.gz HMBPACBLSQVKOF-CABCVRRESA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)C1CC1 ZINC000658055027 419525176 /nfs/dbraw/zinc/52/51/76/419525176.db2.gz HMBPACBLSQVKOF-CABCVRRESA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)CC1 ZINC000180489601 260103789 /nfs/dbraw/zinc/10/37/89/260103789.db2.gz UNGFEQQBNIVGHE-DNVCBOLYSA-N 2 2 284.447 3.468 20 30 CGEDLP C[C@H]1C[C@H]([NH2+]CC2(C#N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000418140799 267361853 /nfs/dbraw/zinc/36/18/53/267361853.db2.gz KFBJPQPEAAPASU-FUHWJXTLSA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@H]1C[C@H]([NH2+]CC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000418140799 267361854 /nfs/dbraw/zinc/36/18/54/267361854.db2.gz KFBJPQPEAAPASU-FUHWJXTLSA-N 2 2 297.446 3.323 20 30 CGEDLP C=CCC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000120121058 267383577 /nfs/dbraw/zinc/38/35/77/267383577.db2.gz HBODPVYWCKREKA-INIZCTEOSA-N 2 2 273.424 3.096 20 30 CGEDLP N#C[C@H]1CCC[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000185754696 327844318 /nfs/dbraw/zinc/84/43/18/327844318.db2.gz GQYANUQUANTYLV-WDSOQIARSA-N 2 2 297.446 3.495 20 30 CGEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000184084456 329255724 /nfs/dbraw/zinc/25/57/24/329255724.db2.gz JWDUFEZQCKTCAH-YQQAZPJKSA-N 2 2 277.456 3.311 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000273461057 330092994 /nfs/dbraw/zinc/09/29/94/330092994.db2.gz CTENXDNFMFJWPI-OAHLLOKOSA-N 2 2 288.435 3.310 20 30 CGEDLP C=C(C)CC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423158426 330173656 /nfs/dbraw/zinc/17/36/56/330173656.db2.gz WSZICJVOJPBQKN-IAGOWNOFSA-N 2 2 274.408 3.044 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)C[N@H+](Cc2ccccc2)C1 ZINC000459684336 331294331 /nfs/dbraw/zinc/29/43/31/331294331.db2.gz CDJOORVUYJAQLJ-SJLPKXTDSA-N 2 2 299.462 3.426 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)C[N@@H+](Cc2ccccc2)C1 ZINC000459684336 331294332 /nfs/dbraw/zinc/29/43/32/331294332.db2.gz CDJOORVUYJAQLJ-SJLPKXTDSA-N 2 2 299.462 3.426 20 30 CGEDLP C#C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(Cl)cc1 ZINC000491617422 332244281 /nfs/dbraw/zinc/24/42/81/332244281.db2.gz KDFDDSQFPOTEEJ-INIZCTEOSA-N 2 2 295.773 3.452 20 30 CGEDLP C#C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(C)(C)C ZINC000491658335 332269406 /nfs/dbraw/zinc/26/94/06/332269406.db2.gz VYQKUJXJQSHWIM-ZDUSSCGKSA-N 2 2 290.373 3.041 20 30 CGEDLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358561301 528817836 /nfs/dbraw/zinc/81/78/36/528817836.db2.gz GIKKASAGKZEYOT-CYBMUJFWSA-N 2 2 277.387 3.078 20 30 CGEDLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358561301 528817839 /nfs/dbraw/zinc/81/78/39/528817839.db2.gz GIKKASAGKZEYOT-CYBMUJFWSA-N 2 2 277.387 3.078 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000902797763 621453285 /nfs/dbraw/zinc/45/32/85/621453285.db2.gz YRCPUUFBMGURBB-MSOLQXFVSA-N 2 2 283.419 3.083 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000902797763 621453293 /nfs/dbraw/zinc/45/32/93/621453293.db2.gz YRCPUUFBMGURBB-MSOLQXFVSA-N 2 2 283.419 3.083 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1cccc(Cl)c1F ZINC000815652750 631814345 /nfs/dbraw/zinc/81/43/45/631814345.db2.gz QJTGBFWZONORGQ-OAHLLOKOSA-N 2 2 296.817 3.475 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1cccc(Cl)c1F ZINC000815652750 631814347 /nfs/dbraw/zinc/81/43/47/631814347.db2.gz QJTGBFWZONORGQ-OAHLLOKOSA-N 2 2 296.817 3.475 20 30 CGEDLP C=C/C=C\CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000883260515 636630916 /nfs/dbraw/zinc/63/09/16/636630916.db2.gz XZDREEAEISHYBG-ARJAWSKDSA-N 2 2 295.430 3.245 20 30 CGEDLP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926316102 638762604 /nfs/dbraw/zinc/76/26/04/638762604.db2.gz MPIYBFGKZWBGRE-OTWHNJEPSA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926316102 638762608 /nfs/dbraw/zinc/76/26/08/638762608.db2.gz MPIYBFGKZWBGRE-OTWHNJEPSA-N 2 2 295.430 3.152 20 30 CGEDLP C[C@@]1(C#N)CC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409956 806635265 /nfs/dbraw/zinc/63/52/65/806635265.db2.gz OAMSXZZMPLGTHU-MOPGFXCFSA-N 2 2 297.446 3.277 20 30 CGEDLP C[C@@]1(C#N)CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409956 806635270 /nfs/dbraw/zinc/63/52/70/806635270.db2.gz OAMSXZZMPLGTHU-MOPGFXCFSA-N 2 2 297.446 3.277 20 30 CGEDLP C[C@@]1(C#N)CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255409956 806635275 /nfs/dbraw/zinc/63/52/75/806635275.db2.gz OAMSXZZMPLGTHU-MOPGFXCFSA-N 2 2 297.446 3.277 20 30 CGEDLP C[C@@]1(C#N)CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409956 806635278 /nfs/dbraw/zinc/63/52/78/806635278.db2.gz OAMSXZZMPLGTHU-MOPGFXCFSA-N 2 2 297.446 3.277 20 30 CGEDLP C=CCCCCCC[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000310716772 799222474 /nfs/dbraw/zinc/22/24/74/799222474.db2.gz WRNGTKUPSCQWFM-MRXNPFEDSA-N 2 2 250.430 3.293 20 30 CGEDLP C=CCCCCCC[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000310716772 799222479 /nfs/dbraw/zinc/22/24/79/799222479.db2.gz WRNGTKUPSCQWFM-MRXNPFEDSA-N 2 2 250.430 3.293 20 30 CGEDLP C=CCCCCCC[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000310716772 799222482 /nfs/dbraw/zinc/22/24/82/799222482.db2.gz WRNGTKUPSCQWFM-MRXNPFEDSA-N 2 2 250.430 3.293 20 30 CGEDLP C=CCCCCCC[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000310716772 799222487 /nfs/dbraw/zinc/22/24/87/799222487.db2.gz WRNGTKUPSCQWFM-MRXNPFEDSA-N 2 2 250.430 3.293 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246022547 804100968 /nfs/dbraw/zinc/10/09/68/804100968.db2.gz KZJRZZXGUQPPJC-QZTJIDSGSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246022547 804100971 /nfs/dbraw/zinc/10/09/71/804100971.db2.gz KZJRZZXGUQPPJC-QZTJIDSGSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001246061563 804104276 /nfs/dbraw/zinc/10/42/76/804104276.db2.gz GDYBKTYWCADWJT-QZTJIDSGSA-N 2 2 296.499 3.314 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001246061563 804104281 /nfs/dbraw/zinc/10/42/81/804104281.db2.gz GDYBKTYWCADWJT-QZTJIDSGSA-N 2 2 296.499 3.314 20 30 CGEDLP CCCCCCC[C@@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246088105 804121027 /nfs/dbraw/zinc/12/10/27/804121027.db2.gz JOEUBMWMZHPADE-CVEARBPZSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCC[C@@H](CCC)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC001246091557 804123790 /nfs/dbraw/zinc/12/37/90/804123790.db2.gz DIQZOXGNAFCDTG-HZPDHXFCSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCC[C@@H](CC)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246549514 804398180 /nfs/dbraw/zinc/39/81/80/804398180.db2.gz MKCBOJWUMRJSNH-CVEARBPZSA-N 2 2 270.461 3.046 20 30 CGEDLP CCCCCCC[C@@H](CC)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246549514 804398186 /nfs/dbraw/zinc/39/81/86/804398186.db2.gz MKCBOJWUMRJSNH-CVEARBPZSA-N 2 2 270.461 3.046 20 30 CGEDLP C=CCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246786001 804511137 /nfs/dbraw/zinc/51/11/37/804511137.db2.gz CJBPBMXDYNFFMH-NVXWUHKLSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246786001 804511141 /nfs/dbraw/zinc/51/11/41/804511141.db2.gz CJBPBMXDYNFFMH-NVXWUHKLSA-N 2 2 258.409 3.205 20 30 CGEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257011471 807026445 /nfs/dbraw/zinc/02/64/45/807026445.db2.gz OZDXQQQNXKQDIO-CTWPCTMYSA-N 2 2 297.446 3.268 20 30 CGEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257011471 807026455 /nfs/dbraw/zinc/02/64/55/807026455.db2.gz OZDXQQQNXKQDIO-CTWPCTMYSA-N 2 2 297.446 3.268 20 30 CGEDLP C=CCC[C@H](C)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001258720005 807568930 /nfs/dbraw/zinc/56/89/30/807568930.db2.gz OOFSBZYSGASUBX-FZMZJTMJSA-N 2 2 297.240 3.393 20 30 CGEDLP C[C@H](Cc1cccc(C#N)c1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001171220657 808011488 /nfs/dbraw/zinc/01/14/88/808011488.db2.gz APTQALVFCDJYCN-RHSMWYFYSA-N 2 2 294.402 3.025 20 30 CGEDLP CC(C)[N@H+](CCCc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC001208864625 813874859 /nfs/dbraw/zinc/87/48/59/813874859.db2.gz XYHMMEQDGXDQMP-UHFFFAOYSA-N 2 2 299.462 3.295 20 30 CGEDLP CC(C)[N@@H+](CCCc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC001208864625 813874869 /nfs/dbraw/zinc/87/48/69/813874869.db2.gz XYHMMEQDGXDQMP-UHFFFAOYSA-N 2 2 299.462 3.295 20 30 CGEDLP C=CCCCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001222696822 816502787 /nfs/dbraw/zinc/50/27/87/816502787.db2.gz LHIRFTZKEZFUSZ-ROUUACIJSA-N 2 2 294.483 3.356 20 30 CGEDLP C=CCCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001222696822 816502792 /nfs/dbraw/zinc/50/27/92/816502792.db2.gz LHIRFTZKEZFUSZ-ROUUACIJSA-N 2 2 294.483 3.356 20 30 CGEDLP CC[N@H+](CC[NH3+])Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001236144696 819345009 /nfs/dbraw/zinc/34/50/09/819345009.db2.gz UFEYNPLRDUCCGT-UHFFFAOYSA-N 2 2 295.386 3.131 20 30 CGEDLP CC[N@@H+](CC[NH3+])Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001236144696 819345012 /nfs/dbraw/zinc/34/50/12/819345012.db2.gz UFEYNPLRDUCCGT-UHFFFAOYSA-N 2 2 295.386 3.131 20 30 CGEDLP C=CC[NH2+]CC[N@H+]1CCC[C@H]1c1cc(C)cc(C)c1 ZINC001236428967 819474391 /nfs/dbraw/zinc/47/43/91/819474391.db2.gz SZKDILKLZLVIIU-KRWDZBQOSA-N 2 2 258.409 3.216 20 30 CGEDLP C=CC[NH2+]CC[N@@H+]1CCC[C@H]1c1cc(C)cc(C)c1 ZINC001236428967 819474394 /nfs/dbraw/zinc/47/43/94/819474394.db2.gz SZKDILKLZLVIIU-KRWDZBQOSA-N 2 2 258.409 3.216 20 30 CGEDLP CC(C)[N@H+](Cc1c[nH]c2ccc(C#N)cc12)[C@@H]1CCC[NH2+]C1 ZINC001236467756 819488481 /nfs/dbraw/zinc/48/84/81/819488481.db2.gz JEIMXSPLKZWHRE-MRXNPFEDSA-N 2 2 296.418 3.002 20 30 CGEDLP CC(C)[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)[C@@H]1CCC[NH2+]C1 ZINC001236467756 819488483 /nfs/dbraw/zinc/48/84/83/819488483.db2.gz JEIMXSPLKZWHRE-MRXNPFEDSA-N 2 2 296.418 3.002 20 30 CGEDLP Cc1cc(C#N)ccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242473750 823005039 /nfs/dbraw/zinc/00/50/39/823005039.db2.gz DYMJMWJVSHWKDF-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1cc(C#N)ccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242473750 823005042 /nfs/dbraw/zinc/00/50/42/823005042.db2.gz DYMJMWJVSHWKDF-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP C=C(CC(C)C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001351213254 937011565 /nfs/dbraw/zinc/01/15/65/937011565.db2.gz JPTUXJYHZGDLGH-UHFFFAOYSA-N 2 2 284.363 3.117 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)C1 ZINC001461029904 937560371 /nfs/dbraw/zinc/56/03/71/937560371.db2.gz JLDHOXWEUKVASE-ARFHVFGLSA-N 2 2 250.430 3.195 20 30 CGEDLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001321623150 934199054 /nfs/dbraw/zinc/19/90/54/934199054.db2.gz UAVYRCVEWUFDQN-XBMUEBEBSA-N 2 2 297.446 3.074 20 30 CGEDLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001321623150 934199062 /nfs/dbraw/zinc/19/90/62/934199062.db2.gz UAVYRCVEWUFDQN-XBMUEBEBSA-N 2 2 297.446 3.074 20 30 CGEDLP C=CCCCCC[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC001574907299 962330256 /nfs/dbraw/zinc/33/02/56/962330256.db2.gz IBSNOJIBAHFPIM-DLBZAZTESA-N 2 2 276.399 3.299 20 30 CGEDLP C=CCCCCC[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC001574907299 962330266 /nfs/dbraw/zinc/33/02/66/962330266.db2.gz IBSNOJIBAHFPIM-DLBZAZTESA-N 2 2 276.399 3.299 20 30 CGEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080974160 345693539 /nfs/dbraw/zinc/69/35/39/345693539.db2.gz YULJIZGPYWYBFV-CJNGLKHVSA-N 2 2 280.375 3.222 20 30 CGEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080974160 345693542 /nfs/dbraw/zinc/69/35/42/345693542.db2.gz YULJIZGPYWYBFV-CJNGLKHVSA-N 2 2 280.375 3.222 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)C[N@@H+]1C1CC1 ZINC000594514657 347184638 /nfs/dbraw/zinc/18/46/38/347184638.db2.gz KSZQABLXVUISRF-RHSMWYFYSA-N 2 2 295.430 3.152 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)C[N@H+]1C1CC1 ZINC000594514657 347184642 /nfs/dbraw/zinc/18/46/42/347184642.db2.gz KSZQABLXVUISRF-RHSMWYFYSA-N 2 2 295.430 3.152 20 30 CGEDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599302493 347733380 /nfs/dbraw/zinc/73/33/80/347733380.db2.gz DJCZDRQAMIHQOE-QGZVFWFLSA-N 2 2 285.435 3.030 20 30 CGEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599302493 347733382 /nfs/dbraw/zinc/73/33/82/347733382.db2.gz DJCZDRQAMIHQOE-QGZVFWFLSA-N 2 2 285.435 3.030 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000602568273 347984034 /nfs/dbraw/zinc/98/40/34/347984034.db2.gz IPSSBONOZCAYMA-JFIYKMOQSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000602568273 347984036 /nfs/dbraw/zinc/98/40/36/347984036.db2.gz IPSSBONOZCAYMA-JFIYKMOQSA-N 2 2 285.435 3.179 20 30 CGEDLP N#CC1CCC([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000602548597 347980096 /nfs/dbraw/zinc/98/00/96/347980096.db2.gz SZEOJNHDIBIREG-NKELODKYSA-N 2 2 297.446 3.323 20 30 CGEDLP N#CC1CCC([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000602548597 347980099 /nfs/dbraw/zinc/98/00/99/347980099.db2.gz SZEOJNHDIBIREG-NKELODKYSA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609823364 348354332 /nfs/dbraw/zinc/35/43/32/348354332.db2.gz ADUIIVMRIZFAAX-RHSMWYFYSA-N 2 2 280.375 3.153 20 30 CGEDLP CC[C@@H](C[NH2+][C@H]1CCCc2cc(C#N)ccc21)[NH+]1CCCC1 ZINC000611390581 348444783 /nfs/dbraw/zinc/44/47/83/348444783.db2.gz JFWZPSGUKUCRIA-HKUYNNGSSA-N 2 2 297.446 3.400 20 30 CGEDLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000618568469 349107497 /nfs/dbraw/zinc/10/74/97/349107497.db2.gz WFLNRPWLOVZDIV-QZTJIDSGSA-N 2 2 283.419 3.083 20 30 CGEDLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000618568469 349107498 /nfs/dbraw/zinc/10/74/98/349107498.db2.gz WFLNRPWLOVZDIV-QZTJIDSGSA-N 2 2 283.419 3.083 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2sccc2C)CC1 ZINC000177908412 189078327 /nfs/dbraw/zinc/07/83/27/189078327.db2.gz RMLAGRJDVOMFFT-CYBMUJFWSA-N 2 2 264.438 3.358 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000177906948 189078329 /nfs/dbraw/zinc/07/83/29/189078329.db2.gz FFPZUCJTNDSNAT-HNNXBMFYSA-N 2 2 284.447 3.476 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(CC)o2)CC1 ZINC000177914317 189079201 /nfs/dbraw/zinc/07/92/01/189079201.db2.gz XUHLZNZXDGSMAT-CYBMUJFWSA-N 2 2 262.397 3.143 20 30 CGEDLP CC(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181583982 189301926 /nfs/dbraw/zinc/30/19/26/189301926.db2.gz SZNSZPOHTBKVJW-UHFFFAOYSA-N 2 2 285.435 3.158 20 30 CGEDLP CC#CCC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000155868731 371949501 /nfs/dbraw/zinc/94/95/01/371949501.db2.gz RTDDBWOYXJNZQB-UHFFFAOYSA-N 2 2 285.435 3.033 20 30 CGEDLP CC#CCC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000155868731 371949511 /nfs/dbraw/zinc/94/95/11/371949511.db2.gz RTDDBWOYXJNZQB-UHFFFAOYSA-N 2 2 285.435 3.033 20 30 CGEDLP C[C@H]1C[C@H]([NH+](C)CC#Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000177292380 373673304 /nfs/dbraw/zinc/67/33/04/373673304.db2.gz AOQGPYSYAQZNTA-WMLDXEAASA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@H]1C[C@H]([NH+](C)CC#Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000177292380 373673309 /nfs/dbraw/zinc/67/33/09/373673309.db2.gz AOQGPYSYAQZNTA-WMLDXEAASA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@H]1C[C@H]([N@H+](C)CC#Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000177292380 373673313 /nfs/dbraw/zinc/67/33/13/373673313.db2.gz AOQGPYSYAQZNTA-WMLDXEAASA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@H]1C[C@H]([N@@H+](C)CC#Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000177292380 373673316 /nfs/dbraw/zinc/67/33/16/373673316.db2.gz AOQGPYSYAQZNTA-WMLDXEAASA-N 2 2 290.838 3.106 20 30 CGEDLP CC#CCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000482158606 375167301 /nfs/dbraw/zinc/16/73/01/375167301.db2.gz RBIVDGHZLRUORV-UHFFFAOYSA-N 2 2 290.838 3.307 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000190938050 375550847 /nfs/dbraw/zinc/55/08/47/375550847.db2.gz VJCKOBYCFOXKCA-MRXNPFEDSA-N 2 2 274.408 3.287 20 30 CGEDLP N#Cc1cccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000507506100 375708598 /nfs/dbraw/zinc/70/85/98/375708598.db2.gz DGUHXXKAYKYACB-UHFFFAOYSA-N 2 2 288.354 3.034 20 30 CGEDLP N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000339158127 376716478 /nfs/dbraw/zinc/71/64/78/376716478.db2.gz ZTUNMNAXFYTKPU-OWCLPIDISA-N 2 2 298.434 3.091 20 30 CGEDLP C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C[C@H]1n1cc[nH+]c1 ZINC000245752284 376900333 /nfs/dbraw/zinc/90/03/33/376900333.db2.gz HGPOHGRJFQVARZ-HUUCEWRRSA-N 2 2 274.412 3.096 20 30 CGEDLP C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@H]1n1cc[nH+]c1 ZINC000245752284 376900342 /nfs/dbraw/zinc/90/03/42/376900342.db2.gz HGPOHGRJFQVARZ-HUUCEWRRSA-N 2 2 274.412 3.096 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000562040526 377269163 /nfs/dbraw/zinc/26/91/63/377269163.db2.gz AAYXZZFVYMZHSA-CABCVRRESA-N 2 2 250.430 3.051 20 30 CGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248772253 377400185 /nfs/dbraw/zinc/40/01/85/377400185.db2.gz HJKJDSHHKGYEGV-BVBHFADKSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248772253 377400193 /nfs/dbraw/zinc/40/01/93/377400193.db2.gz HJKJDSHHKGYEGV-BVBHFADKSA-N 2 2 297.446 3.179 20 30 CGEDLP CC1(C)CC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000563442632 377467635 /nfs/dbraw/zinc/46/76/35/377467635.db2.gz LJIACGYSRUSEGF-UHFFFAOYSA-N 2 2 297.446 3.301 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000341298142 377496958 /nfs/dbraw/zinc/49/69/58/377496958.db2.gz YMWYGQGCIYJICC-QEJZJMRPSA-N 2 2 261.413 3.259 20 30 CGEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000271129181 378459876 /nfs/dbraw/zinc/45/98/76/378459876.db2.gz OKORCAQTRHOALE-MRXNPFEDSA-N 2 2 297.402 3.354 20 30 CGEDLP C=CCOc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000271129181 378459880 /nfs/dbraw/zinc/45/98/80/378459880.db2.gz OKORCAQTRHOALE-MRXNPFEDSA-N 2 2 297.402 3.354 20 30 CGEDLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCCCC#N ZINC000274878967 378911798 /nfs/dbraw/zinc/91/17/98/378911798.db2.gz YOZAMLRUCJHYHK-GOSISDBHSA-N 2 2 287.451 3.426 20 30 CGEDLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCCCC#N ZINC000274878967 378911800 /nfs/dbraw/zinc/91/18/00/378911800.db2.gz YOZAMLRUCJHYHK-GOSISDBHSA-N 2 2 287.451 3.426 20 30 CGEDLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(C#N)c1 ZINC000373525278 379293009 /nfs/dbraw/zinc/29/30/09/379293009.db2.gz YUTORKCDQBXCIJ-RWBZWWBESA-N 2 2 283.419 3.226 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(C)cc2O)CC1 ZINC000280085021 379600075 /nfs/dbraw/zinc/60/00/75/379600075.db2.gz LZZRCKRGRKHIFM-KRWDZBQOSA-N 2 2 288.435 3.392 20 30 CGEDLP N#CC1(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCCCC1 ZINC000411312850 380139789 /nfs/dbraw/zinc/13/97/89/380139789.db2.gz WACFFWQNJNUVAK-UHFFFAOYSA-N 2 2 286.423 3.453 20 30 CGEDLP CC[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000421388527 380933703 /nfs/dbraw/zinc/93/37/03/380933703.db2.gz UFIHLHCBWLDXNJ-OAHLLOKOSA-N 2 2 285.435 3.158 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000358288549 381300386 /nfs/dbraw/zinc/30/03/86/381300386.db2.gz DOUXYMQHYPTYKR-INMHGKMJSA-N 2 2 277.456 3.311 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc(C#N)cc1 ZINC000052685795 392079657 /nfs/dbraw/zinc/07/96/57/392079657.db2.gz QWMNEOLKODICII-UHFFFAOYSA-N 2 2 290.370 3.006 20 30 CGEDLP CC(C)(CCC#N)C[NH2+]CCCCNc1cccc[nH+]1 ZINC000174342296 392639637 /nfs/dbraw/zinc/63/96/37/392639637.db2.gz FZHRHCXJZJKAKH-UHFFFAOYSA-N 2 2 274.412 3.193 20 30 CGEDLP C=CC[C@@H](C)[C@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364661 392707658 /nfs/dbraw/zinc/70/76/58/392707658.db2.gz HTZIRJFXCLRVQE-HIFRSBDPSA-N 2 2 271.408 3.376 20 30 CGEDLP CC[C@@H](CC#N)[NH2+]Cc1ccccc1C[NH2+][C@@H](CC)CC#N ZINC000519648842 392877556 /nfs/dbraw/zinc/87/75/56/392877556.db2.gz OSOVSOMCOCTAKZ-ROUUACIJSA-N 2 2 298.434 3.250 20 30 CGEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000657835688 419379957 /nfs/dbraw/zinc/37/99/57/419379957.db2.gz QJBUMBRQVYJEBN-DOTOQJQBSA-N 2 2 287.451 3.486 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C1CC1 ZINC000658055030 419524256 /nfs/dbraw/zinc/52/42/56/419524256.db2.gz HMBPACBLSQVKOF-LSDHHAIUSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C1CC1 ZINC000658055030 419524259 /nfs/dbraw/zinc/52/42/59/419524259.db2.gz HMBPACBLSQVKOF-LSDHHAIUSA-N 2 2 250.430 3.194 20 30 CGEDLP N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000294970557 263170350 /nfs/dbraw/zinc/17/03/50/263170350.db2.gz FSUUOVFCJRNNBG-HOCLYGCPSA-N 2 2 280.375 3.044 20 30 CGEDLP C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000340903308 263308728 /nfs/dbraw/zinc/30/87/28/263308728.db2.gz NSFKKCPTROHJOG-GDBMZVCRSA-N 2 2 260.381 3.280 20 30 CGEDLP C=CCCC[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000340903308 263308729 /nfs/dbraw/zinc/30/87/29/263308729.db2.gz NSFKKCPTROHJOG-GDBMZVCRSA-N 2 2 260.381 3.280 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000368513913 267178523 /nfs/dbraw/zinc/17/85/23/267178523.db2.gz JBVUJTKXIMPJNU-VQIMIIECSA-N 2 2 299.462 3.348 20 30 CGEDLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(C#N)CCC3)CC2)C1 ZINC000418136513 267368754 /nfs/dbraw/zinc/36/87/54/267368754.db2.gz CJLUWZZENRZVIH-DOTOQJQBSA-N 2 2 289.467 3.313 20 30 CGEDLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(C#N)CCC3)CC2)C1 ZINC000418136515 267369002 /nfs/dbraw/zinc/36/90/02/267369002.db2.gz CJLUWZZENRZVIH-RDJZCZTQSA-N 2 2 289.467 3.313 20 30 CGEDLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(C#N)c(F)c1 ZINC000551811068 289134680 /nfs/dbraw/zinc/13/46/80/289134680.db2.gz DBZDFPFWKINJJP-LBPRGKRZSA-N 2 2 298.365 3.081 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000247998299 327465072 /nfs/dbraw/zinc/46/50/72/327465072.db2.gz KCUTUNOXIDGNLU-FOLVSLTJSA-N 2 2 250.430 3.051 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000274984452 330108528 /nfs/dbraw/zinc/10/85/28/330108528.db2.gz ZRXMMZPZRZSULO-LBPRGKRZSA-N 2 2 279.815 3.036 20 30 CGEDLP C=C(C)CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423158425 330173607 /nfs/dbraw/zinc/17/36/07/330173607.db2.gz WSZICJVOJPBQKN-DLBZAZTESA-N 2 2 274.408 3.044 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449243910 330909149 /nfs/dbraw/zinc/90/91/49/330909149.db2.gz OERAXZGJYJSGOA-SJLPKXTDSA-N 2 2 299.462 3.364 20 30 CGEDLP CC[C@H](C[NH2+][C@@H](CC)c1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000576460174 335206452 /nfs/dbraw/zinc/20/64/52/335206452.db2.gz RRCIWYMHTRAPOP-MSOLQXFVSA-N 2 2 285.435 3.473 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000353546175 526454381 /nfs/dbraw/zinc/45/43/81/526454381.db2.gz OKUXDIXWARWSOR-KRWDZBQOSA-N 2 2 291.414 3.158 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(F)c(F)c(F)c2)CC1 ZINC000106244957 526601658 /nfs/dbraw/zinc/60/16/58/526601658.db2.gz XBTWOWKYJHLYMK-UHFFFAOYSA-N 2 2 298.352 3.234 20 30 CGEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000903220905 621634155 /nfs/dbraw/zinc/63/41/55/621634155.db2.gz RCIJESXPRIZPLP-UKRRQHHQSA-N 2 2 293.480 3.429 20 30 CGEDLP CC1(C#N)CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000823742491 633147358 /nfs/dbraw/zinc/14/73/58/633147358.db2.gz OXVMQDPWIVNLJD-UHFFFAOYSA-N 2 2 294.402 3.434 20 30 CGEDLP C=CC[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000878521834 635540300 /nfs/dbraw/zinc/54/03/00/635540300.db2.gz FLBDQYHAVNOGSE-CQSZACIVSA-N 2 2 260.381 3.198 20 30 CGEDLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(C#N)c2)CC[N@@H+]1C ZINC000929783696 638950946 /nfs/dbraw/zinc/95/09/46/638950946.db2.gz YPSQOIYJVDUMSL-BLLLJJGKSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@H]1C[C@H]([NH+](C)Cc2cc(Cl)cc(C#N)c2)CC[N@H+]1C ZINC000929783696 638950947 /nfs/dbraw/zinc/95/09/47/638950947.db2.gz YPSQOIYJVDUMSL-BLLLJJGKSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)CC[NH+]1C ZINC000929783696 638950948 /nfs/dbraw/zinc/95/09/48/638950948.db2.gz YPSQOIYJVDUMSL-BLLLJJGKSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)CC[NH+]1C ZINC000929783696 638950949 /nfs/dbraw/zinc/95/09/49/638950949.db2.gz YPSQOIYJVDUMSL-BLLLJJGKSA-N 2 2 291.826 3.126 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001252138676 806023179 /nfs/dbraw/zinc/02/31/79/806023179.db2.gz BZZMNPUBOYEQFJ-ROUUACIJSA-N 2 2 296.499 3.172 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001252138676 806023190 /nfs/dbraw/zinc/02/31/90/806023190.db2.gz BZZMNPUBOYEQFJ-ROUUACIJSA-N 2 2 296.499 3.172 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH2+]CCOc1cc[nH+]cc1 ZINC001252141972 806025416 /nfs/dbraw/zinc/02/54/16/806025416.db2.gz RBHZAYDTIDDAKH-INIZCTEOSA-N 2 2 294.439 3.162 20 30 CGEDLP C[N@H+]([C@H]1CC[C@@H](C#N)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001254661108 806477964 /nfs/dbraw/zinc/47/79/64/806477964.db2.gz PAGXMPCWDSKJCK-MJGOQNOKSA-N 2 2 297.446 3.275 20 30 CGEDLP C[N@@H+]([C@H]1CC[C@@H](C#N)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001254661108 806477967 /nfs/dbraw/zinc/47/79/67/806477967.db2.gz PAGXMPCWDSKJCK-MJGOQNOKSA-N 2 2 297.446 3.275 20 30 CGEDLP CC[C@@H](CC#N)[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001255165110 806563614 /nfs/dbraw/zinc/56/36/14/806563614.db2.gz UEASKWMPUOZWCZ-KRWDZBQOSA-N 2 2 285.435 3.323 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000328061157 799250293 /nfs/dbraw/zinc/25/02/93/799250293.db2.gz BKRAZVIGHADPEK-UHFFFAOYSA-N 2 2 285.218 3.038 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000328061157 799250297 /nfs/dbraw/zinc/25/02/97/799250297.db2.gz BKRAZVIGHADPEK-UHFFFAOYSA-N 2 2 285.218 3.038 20 30 CGEDLP C=CCCCCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000385167673 799423360 /nfs/dbraw/zinc/42/33/60/799423360.db2.gz NVKBVNZVEPTFRT-CABCVRRESA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCCCCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000385167673 799423366 /nfs/dbraw/zinc/42/33/66/799423366.db2.gz NVKBVNZVEPTFRT-CABCVRRESA-N 2 2 250.430 3.338 20 30 CGEDLP CC(C)(C)[NH+]1CCC([NH2+]C2(CC#N)CCCC2)CC1 ZINC001256569278 806917700 /nfs/dbraw/zinc/91/77/00/806917700.db2.gz YXNGGEOMHVYWIA-UHFFFAOYSA-N 2 2 263.429 3.065 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246028160 804100697 /nfs/dbraw/zinc/10/06/97/804100697.db2.gz ZWXVHUMBGFNKJM-QZTJIDSGSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246028160 804100702 /nfs/dbraw/zinc/10/07/02/804100702.db2.gz ZWXVHUMBGFNKJM-QZTJIDSGSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[NH+]1CC2(C1)CC[NH2+]C2 ZINC001246026998 804100905 /nfs/dbraw/zinc/10/09/05/804100905.db2.gz WSYCLHOWBCSCGA-QGZVFWFLSA-N 2 2 296.499 3.173 20 30 CGEDLP CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246088914 804120179 /nfs/dbraw/zinc/12/01/79/804120179.db2.gz MGKIDWQENHKJPM-DLBZAZTESA-N 2 2 284.488 3.340 20 30 CGEDLP CCCCCCC[C@@H](CC)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246113444 804145169 /nfs/dbraw/zinc/14/51/69/804145169.db2.gz SZLJOIBNHGJAIZ-KFWWJZLASA-N 2 2 258.425 3.415 20 30 CGEDLP CCCCCCCC[C@@H](CC)[NH2+][C@H]([NH3+])CCC[NH3+] ZINC001246300390 804266924 /nfs/dbraw/zinc/26/69/24/804266924.db2.gz NOXBJQYFOPLMFV-CABCVRRESA-N 3 2 257.466 3.129 20 30 CGEDLP CCCCCCC[C@@H](C)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246335811 804290828 /nfs/dbraw/zinc/29/08/28/804290828.db2.gz ILHNCCXSOSHZPU-KGLIPLIRSA-N 2 2 258.475 3.030 20 30 CGEDLP CCCCCCCCC[C@H](C)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246614567 804448699 /nfs/dbraw/zinc/44/86/99/804448699.db2.gz OLCIZABQZXGPLV-HNNXBMFYSA-N 2 2 252.446 3.421 20 30 CGEDLP CCCC[N@H+](CCC#N)C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246768730 804502766 /nfs/dbraw/zinc/50/27/66/804502766.db2.gz GXLIRNOYOAHLEB-HUUCEWRRSA-N 2 2 265.445 3.311 20 30 CGEDLP CCCC[N@@H+](CCC#N)C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246768730 804502768 /nfs/dbraw/zinc/50/27/68/804502768.db2.gz GXLIRNOYOAHLEB-HUUCEWRRSA-N 2 2 265.445 3.311 20 30 CGEDLP C=C1CC=C(F)C=C1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256852976 806991791 /nfs/dbraw/zinc/99/17/91/806991791.db2.gz SZUUXXORVPYYBR-UHFFFAOYSA-N 2 2 285.366 3.337 20 30 CGEDLP C[C@@H](CC#N)[NH2+]C1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168024201 807300482 /nfs/dbraw/zinc/30/04/82/807300482.db2.gz CDKFCGHUDSWEGG-ARFHVFGLSA-N 2 2 285.435 3.320 20 30 CGEDLP C=C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001168370687 807397078 /nfs/dbraw/zinc/39/70/78/807397078.db2.gz DYVRKDLQPMTSBU-GOSISDBHSA-N 2 2 270.420 3.378 20 30 CGEDLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@](C)(C#N)C(C)C ZINC001258899212 807669318 /nfs/dbraw/zinc/66/93/18/807669318.db2.gz IAVMCMPEKUKCMM-CABCVRRESA-N 2 2 253.434 3.025 20 30 CGEDLP C[C@H](CCCC#N)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488679 808348918 /nfs/dbraw/zinc/34/89/18/808348918.db2.gz VQVQFTCPRRRZJM-BZUAXINKSA-N 2 2 286.423 3.240 20 30 CGEDLP Cc1ccc(N([C@@H](C)CCCC#N)C2CC[NH2+]CC2)[nH+]c1 ZINC001172509669 808365485 /nfs/dbraw/zinc/36/54/85/808365485.db2.gz NOXIIMLVCHGTQE-HNNXBMFYSA-N 2 2 286.423 3.031 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C)c3ncccc3c2)CC1 ZINC001200127575 811641025 /nfs/dbraw/zinc/64/10/25/811641025.db2.gz XAWNJJCGBJKKFB-UHFFFAOYSA-N 2 2 295.430 3.283 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC001202298648 812057342 /nfs/dbraw/zinc/05/73/42/812057342.db2.gz DAPMCVRIKGRYSQ-VYDXJSESSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC001202298648 812057350 /nfs/dbraw/zinc/05/73/50/812057350.db2.gz DAPMCVRIKGRYSQ-VYDXJSESSA-N 2 2 262.441 3.338 20 30 CGEDLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c(C#N)c1 ZINC001242593689 823051365 /nfs/dbraw/zinc/05/13/65/823051365.db2.gz XIUKOXGCAZRDGF-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c(C#N)c1 ZINC001242593689 823051371 /nfs/dbraw/zinc/05/13/71/823051371.db2.gz XIUKOXGCAZRDGF-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)CC1 ZINC001208178309 813728765 /nfs/dbraw/zinc/72/87/65/813728765.db2.gz PXPZCBCDEADLRH-KZNAEPCWSA-N 2 2 274.452 3.315 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)CC1 ZINC001208178309 813728769 /nfs/dbraw/zinc/72/87/69/813728769.db2.gz PXPZCBCDEADLRH-KZNAEPCWSA-N 2 2 274.452 3.315 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001208178309 813728775 /nfs/dbraw/zinc/72/87/75/813728775.db2.gz PXPZCBCDEADLRH-KZNAEPCWSA-N 2 2 274.452 3.315 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001208178309 813728782 /nfs/dbraw/zinc/72/87/82/813728782.db2.gz PXPZCBCDEADLRH-KZNAEPCWSA-N 2 2 274.452 3.315 20 30 CGEDLP C=CCCCCCC[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001209440675 814041510 /nfs/dbraw/zinc/04/15/10/814041510.db2.gz NSNWHXHNAZZNMQ-JKSUJKDBSA-N 2 2 250.430 3.149 20 30 CGEDLP C=CCCCCCC[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001209440675 814041517 /nfs/dbraw/zinc/04/15/17/814041517.db2.gz NSNWHXHNAZZNMQ-JKSUJKDBSA-N 2 2 250.430 3.149 20 30 CGEDLP C=CCCCCCC[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209440675 814041527 /nfs/dbraw/zinc/04/15/27/814041527.db2.gz NSNWHXHNAZZNMQ-JKSUJKDBSA-N 2 2 250.430 3.149 20 30 CGEDLP C=CCCCCCC[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209440675 814041535 /nfs/dbraw/zinc/04/15/35/814041535.db2.gz NSNWHXHNAZZNMQ-JKSUJKDBSA-N 2 2 250.430 3.149 20 30 CGEDLP C=CCCCCCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235039613 818988615 /nfs/dbraw/zinc/98/86/15/818988615.db2.gz WGQIGBPNGOGQHV-JKSUJKDBSA-N 2 2 250.430 3.339 20 30 CGEDLP C=CCCCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235039613 818988620 /nfs/dbraw/zinc/98/86/20/818988620.db2.gz WGQIGBPNGOGQHV-JKSUJKDBSA-N 2 2 250.430 3.339 20 30 CGEDLP CC(C)[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC001236471100 819490998 /nfs/dbraw/zinc/49/09/98/819490998.db2.gz TYKCMJKTXAMZRY-QGZVFWFLSA-N 2 2 296.418 3.002 20 30 CGEDLP CC(C)[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC001236471100 819491003 /nfs/dbraw/zinc/49/10/03/819491003.db2.gz TYKCMJKTXAMZRY-QGZVFWFLSA-N 2 2 296.418 3.002 20 30 CGEDLP C=CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236910364 819636494 /nfs/dbraw/zinc/63/64/94/819636494.db2.gz AYUNKHBNXQRKKB-UHFFFAOYSA-N 2 2 261.756 3.144 20 30 CGEDLP C=CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236910364 819636495 /nfs/dbraw/zinc/63/64/95/819636495.db2.gz AYUNKHBNXQRKKB-UHFFFAOYSA-N 2 2 261.756 3.144 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C[NH+]2CCCCC2)C1 ZINC001461029906 937559983 /nfs/dbraw/zinc/55/99/83/937559983.db2.gz JLDHOXWEUKVASE-BZUAXINKSA-N 2 2 250.430 3.195 20 30 CGEDLP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c3ccncc23)CC1 ZINC000085684675 345747536 /nfs/dbraw/zinc/74/75/36/345747536.db2.gz ANXQGMUOZGEDDR-UHFFFAOYSA-N 2 2 282.391 3.082 20 30 CGEDLP C#CCC[NH+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000091480326 345816623 /nfs/dbraw/zinc/81/66/23/345816623.db2.gz HSAQIGWYPJZRKY-UHFFFAOYSA-N 2 2 299.805 3.034 20 30 CGEDLP C[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693182 347104430 /nfs/dbraw/zinc/10/44/30/347104430.db2.gz RQGDIZYOEBLVPM-DNVCBOLYSA-N 2 2 297.446 3.301 20 30 CGEDLP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000593715452 347106793 /nfs/dbraw/zinc/10/67/93/347106793.db2.gz LYYPHRUZJROTHL-AWEZNQCLSA-N 2 2 291.414 3.326 20 30 CGEDLP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000593715452 347106797 /nfs/dbraw/zinc/10/67/97/347106797.db2.gz LYYPHRUZJROTHL-AWEZNQCLSA-N 2 2 291.414 3.326 20 30 CGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517044 347186537 /nfs/dbraw/zinc/18/65/37/347186537.db2.gz UNVNETRAOPXXGD-RDTXWAMCSA-N 2 2 295.430 3.010 20 30 CGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594517044 347186541 /nfs/dbraw/zinc/18/65/41/347186541.db2.gz UNVNETRAOPXXGD-RDTXWAMCSA-N 2 2 295.430 3.010 20 30 CGEDLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000595054470 347270785 /nfs/dbraw/zinc/27/07/85/347270785.db2.gz PTASMNPNVRJEOA-IUODEOHRSA-N 2 2 289.398 3.221 20 30 CGEDLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(C#N)c(F)c1 ZINC000595054470 347270787 /nfs/dbraw/zinc/27/07/87/347270787.db2.gz PTASMNPNVRJEOA-IUODEOHRSA-N 2 2 289.398 3.221 20 30 CGEDLP CC(C)(C#N)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602617730 347994870 /nfs/dbraw/zinc/99/48/70/347994870.db2.gz ZRODAYAVODCLLP-FUHWJXTLSA-N 2 2 297.446 3.494 20 30 CGEDLP CC(C)(C#N)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602617730 347994873 /nfs/dbraw/zinc/99/48/73/347994873.db2.gz ZRODAYAVODCLLP-FUHWJXTLSA-N 2 2 297.446 3.494 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC000177913599 189078752 /nfs/dbraw/zinc/07/87/52/189078752.db2.gz OJELQJKWRZHKSG-HNNXBMFYSA-N 2 2 258.409 3.296 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000275595340 193083189 /nfs/dbraw/zinc/08/31/89/193083189.db2.gz KJWLCVVCENAFLT-CYBMUJFWSA-N 2 2 280.375 3.222 20 30 CGEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(F)c(C#N)c1 ZINC000121542288 370871601 /nfs/dbraw/zinc/87/16/01/370871601.db2.gz ZTABPDKSJJEBEB-INIZCTEOSA-N 2 2 289.398 3.004 20 30 CGEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(F)c(C#N)c1 ZINC000121542288 370871606 /nfs/dbraw/zinc/87/16/06/370871606.db2.gz ZTABPDKSJJEBEB-INIZCTEOSA-N 2 2 289.398 3.004 20 30 CGEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(F)c(C#N)c1 ZINC000121542288 370871611 /nfs/dbraw/zinc/87/16/11/370871611.db2.gz ZTABPDKSJJEBEB-INIZCTEOSA-N 2 2 289.398 3.004 20 30 CGEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(F)c(C#N)c1 ZINC000121542288 370871615 /nfs/dbraw/zinc/87/16/15/370871615.db2.gz ZTABPDKSJJEBEB-INIZCTEOSA-N 2 2 289.398 3.004 20 30 CGEDLP CC1(C)C[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344284129 217131990 /nfs/dbraw/zinc/13/19/90/217131990.db2.gz BYEQECXMUCGUNP-QGZVFWFLSA-N 2 2 297.446 3.158 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)C2CCCC2)CC1 ZINC000449121982 373664108 /nfs/dbraw/zinc/66/41/08/373664108.db2.gz JTAZNUIHRKPRSJ-MRXNPFEDSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CC[NH+]1CCC(Nc2[nH+]ccc3c(OC)cccc32)CC1 ZINC000450317184 374054960 /nfs/dbraw/zinc/05/49/60/374054960.db2.gz JRMKRKBLVKRZHC-UHFFFAOYSA-N 2 2 297.402 3.306 20 30 CGEDLP N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000185835437 374748895 /nfs/dbraw/zinc/74/88/95/374748895.db2.gz STUMCBKNTMRVPM-OTWHNJEPSA-N 2 2 297.446 3.323 20 30 CGEDLP N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000185835437 374748903 /nfs/dbraw/zinc/74/89/03/374748903.db2.gz STUMCBKNTMRVPM-OTWHNJEPSA-N 2 2 297.446 3.323 20 30 CGEDLP C=CC[C@H](CC)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000467404840 374974139 /nfs/dbraw/zinc/97/41/39/374974139.db2.gz DGBDMEPOTUWKQE-RYQLBKOJSA-N 2 2 272.436 3.451 20 30 CGEDLP C=CC[C@H](CC)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000467404840 374974149 /nfs/dbraw/zinc/97/41/49/374974149.db2.gz DGBDMEPOTUWKQE-RYQLBKOJSA-N 2 2 272.436 3.451 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C[C@@H]1CCSC1)C(C)C ZINC000486940311 375199001 /nfs/dbraw/zinc/19/90/01/375199001.db2.gz KOUUNEKLJDMDLD-JKSUJKDBSA-N 2 2 282.497 3.028 20 30 CGEDLP C=CCCCCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000193456515 375879627 /nfs/dbraw/zinc/87/96/27/375879627.db2.gz ZVPKHSCFSJVWCY-MRXNPFEDSA-N 2 2 275.440 3.421 20 30 CGEDLP C=CCCCCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000193456515 375879630 /nfs/dbraw/zinc/87/96/30/375879630.db2.gz ZVPKHSCFSJVWCY-MRXNPFEDSA-N 2 2 275.440 3.421 20 30 CGEDLP C=CCC[C@H](CCC)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000545159801 376789840 /nfs/dbraw/zinc/78/98/40/376789840.db2.gz COZLHIRICBTWRE-INIZCTEOSA-N 2 2 250.430 3.363 20 30 CGEDLP C=CCC[C@H](CCC)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000545159801 376789852 /nfs/dbraw/zinc/78/98/52/376789852.db2.gz COZLHIRICBTWRE-INIZCTEOSA-N 2 2 250.430 3.363 20 30 CGEDLP N#Cc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246815027 377094654 /nfs/dbraw/zinc/09/46/54/377094654.db2.gz NLJQRILGQRGQOP-PKOBYXMFSA-N 2 2 295.430 3.007 20 30 CGEDLP N#Cc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246815027 377094659 /nfs/dbraw/zinc/09/46/59/377094659.db2.gz NLJQRILGQRGQOP-PKOBYXMFSA-N 2 2 295.430 3.007 20 30 CGEDLP N#Cc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246815027 377094661 /nfs/dbraw/zinc/09/46/61/377094661.db2.gz NLJQRILGQRGQOP-PKOBYXMFSA-N 2 2 295.430 3.007 20 30 CGEDLP N#Cc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246815027 377094662 /nfs/dbraw/zinc/09/46/62/377094662.db2.gz NLJQRILGQRGQOP-PKOBYXMFSA-N 2 2 295.430 3.007 20 30 CGEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266968359 378029068 /nfs/dbraw/zinc/02/90/68/378029068.db2.gz YULJIZGPYWYBFV-XJKSGUPXSA-N 2 2 280.375 3.222 20 30 CGEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266968359 378029072 /nfs/dbraw/zinc/02/90/72/378029072.db2.gz YULJIZGPYWYBFV-XJKSGUPXSA-N 2 2 280.375 3.222 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cn2)CC1 ZINC000274826479 378903519 /nfs/dbraw/zinc/90/35/19/378903519.db2.gz CGPIYGCTROUTTB-CYBMUJFWSA-N 2 2 293.842 3.426 20 30 CGEDLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCCCC#N ZINC000274878969 378911867 /nfs/dbraw/zinc/91/18/67/378911867.db2.gz YOZAMLRUCJHYHK-SFHVURJKSA-N 2 2 287.451 3.426 20 30 CGEDLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCCCC#N ZINC000274878969 378911869 /nfs/dbraw/zinc/91/18/69/378911869.db2.gz YOZAMLRUCJHYHK-SFHVURJKSA-N 2 2 287.451 3.426 20 30 CGEDLP C[N@H+](CCC#N)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411307423 380138530 /nfs/dbraw/zinc/13/85/30/380138530.db2.gz HPCPDTUUERGUFB-UHFFFAOYSA-N 2 2 271.408 3.018 20 30 CGEDLP C[N@@H+](CCC#N)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411307423 380138538 /nfs/dbraw/zinc/13/85/38/380138538.db2.gz HPCPDTUUERGUFB-UHFFFAOYSA-N 2 2 271.408 3.018 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)ccc2F)CC1 ZINC000116916857 260008331 /nfs/dbraw/zinc/00/83/31/260008331.db2.gz XAWJZVXKIYKQGR-UHFFFAOYSA-N 2 2 276.399 3.264 20 30 CGEDLP C=C(CC)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000097208067 392261806 /nfs/dbraw/zinc/26/18/06/392261806.db2.gz WKEZDRVDCCEKCK-QGZVFWFLSA-N 2 2 258.409 3.207 20 30 CGEDLP C=C(CC)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000097208067 392261812 /nfs/dbraw/zinc/26/18/12/392261812.db2.gz WKEZDRVDCCEKCK-QGZVFWFLSA-N 2 2 258.409 3.207 20 30 CGEDLP C[C@H]1C[C@@H]([NH+](C)CC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000343314851 393024531 /nfs/dbraw/zinc/02/45/31/393024531.db2.gz OOBNGVGYBVCLBL-WMZOPIPTSA-N 2 2 297.446 3.275 20 30 CGEDLP C[C@H]1C[C@@H]([NH+](C)CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000343314851 393024536 /nfs/dbraw/zinc/02/45/36/393024536.db2.gz OOBNGVGYBVCLBL-WMZOPIPTSA-N 2 2 297.446 3.275 20 30 CGEDLP C[C@H]1C[C@@H]([N@H+](C)CC2(C#N)CC2)CC[NH+]1Cc1ccccc1 ZINC000343314851 393024540 /nfs/dbraw/zinc/02/45/40/393024540.db2.gz OOBNGVGYBVCLBL-WMZOPIPTSA-N 2 2 297.446 3.275 20 30 CGEDLP C[C@H]1C[C@@H]([N@@H+](C)CC2(C#N)CC2)CC[NH+]1Cc1ccccc1 ZINC000343314851 393024545 /nfs/dbraw/zinc/02/45/45/393024545.db2.gz OOBNGVGYBVCLBL-WMZOPIPTSA-N 2 2 297.446 3.275 20 30 CGEDLP N#CC1CCC([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000602505905 393212226 /nfs/dbraw/zinc/21/22/26/393212226.db2.gz BGGNNPUKXHCGSE-NKELODKYSA-N 2 2 297.446 3.495 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCC)[C@H]2CC2(C)C)CC1 ZINC000417313696 393347843 /nfs/dbraw/zinc/34/78/43/393347843.db2.gz PZAKZBWINZVULI-CVEARBPZSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000130515891 260397595 /nfs/dbraw/zinc/39/75/95/260397595.db2.gz WVDMKEFHXUXYCR-NVXWUHKLSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000130515891 260397596 /nfs/dbraw/zinc/39/75/96/260397596.db2.gz WVDMKEFHXUXYCR-NVXWUHKLSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000337993160 262496650 /nfs/dbraw/zinc/49/66/50/262496650.db2.gz RZBUDYGNQTVONC-GDBMZVCRSA-N 2 2 268.420 3.145 20 30 CGEDLP C=CC[N@@H+](Cc1cccs1)C[C@H]([NH3+])CC(C)C ZINC000414682573 263031945 /nfs/dbraw/zinc/03/19/45/263031945.db2.gz RMPGGRAWNYFRCF-CYBMUJFWSA-N 2 2 252.427 3.110 20 30 CGEDLP C=CC[N@H+](Cc1cccs1)C[C@H]([NH3+])CC(C)C ZINC000414682573 263031944 /nfs/dbraw/zinc/03/19/44/263031944.db2.gz RMPGGRAWNYFRCF-CYBMUJFWSA-N 2 2 252.427 3.110 20 30 CGEDLP Cc1ccc2[nH+]cc(C[NH2+]CC3CCC(C#N)CC3)n2c1 ZINC000281600802 263070744 /nfs/dbraw/zinc/07/07/44/263070744.db2.gz FUZKPPKTNXYETK-UHFFFAOYSA-N 2 2 282.391 3.062 20 30 CGEDLP C=CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1F ZINC000340371346 263120326 /nfs/dbraw/zinc/12/03/26/263120326.db2.gz JZMZETVRLRDDLD-INIZCTEOSA-N 2 2 276.399 3.298 20 30 CGEDLP C=CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1F ZINC000340371346 263120327 /nfs/dbraw/zinc/12/03/27/263120327.db2.gz JZMZETVRLRDDLD-INIZCTEOSA-N 2 2 276.399 3.298 20 30 CGEDLP C=CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1F ZINC000340371346 263120328 /nfs/dbraw/zinc/12/03/28/263120328.db2.gz JZMZETVRLRDDLD-INIZCTEOSA-N 2 2 276.399 3.298 20 30 CGEDLP C=CC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1F ZINC000340371346 263120329 /nfs/dbraw/zinc/12/03/29/263120329.db2.gz JZMZETVRLRDDLD-INIZCTEOSA-N 2 2 276.399 3.298 20 30 CGEDLP C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000341096757 263321675 /nfs/dbraw/zinc/32/16/75/263321675.db2.gz AASAQHPTLNIANJ-HOTGVXAUSA-N 2 2 275.440 3.419 20 30 CGEDLP C=CCCC[C@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000341096757 263321677 /nfs/dbraw/zinc/32/16/77/263321677.db2.gz AASAQHPTLNIANJ-HOTGVXAUSA-N 2 2 275.440 3.419 20 30 CGEDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360835928 267168152 /nfs/dbraw/zinc/16/81/52/267168152.db2.gz LPXBVVCJUJJQPJ-KDOFPFPSSA-N 2 2 294.402 3.201 20 30 CGEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000376925158 268030279 /nfs/dbraw/zinc/03/02/79/268030279.db2.gz CGRIGDDBAHFCGE-INIZCTEOSA-N 2 2 277.456 3.313 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000177904661 329190221 /nfs/dbraw/zinc/19/02/21/329190221.db2.gz AYEAWMYRCBBSJE-KRWDZBQOSA-N 2 2 274.383 3.053 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000248761993 329899027 /nfs/dbraw/zinc/89/90/27/329899027.db2.gz GQYANUQUANTYLV-NEWSRXKRSA-N 2 2 297.446 3.495 20 30 CGEDLP C=C(C)CC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423158427 330173710 /nfs/dbraw/zinc/17/37/10/330173710.db2.gz WSZICJVOJPBQKN-IRXDYDNUSA-N 2 2 274.408 3.044 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000527227475 330239026 /nfs/dbraw/zinc/23/90/26/330239026.db2.gz KZPLARXGANPZLM-UHFFFAOYSA-N 2 2 280.362 3.364 20 30 CGEDLP C=CCCC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000379673597 330334157 /nfs/dbraw/zinc/33/41/57/330334157.db2.gz QYZJHTKIABAVPH-UHFFFAOYSA-N 2 2 260.425 3.453 20 30 CGEDLP C=CCCC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000379673597 330334158 /nfs/dbraw/zinc/33/41/58/330334158.db2.gz QYZJHTKIABAVPH-UHFFFAOYSA-N 2 2 260.425 3.453 20 30 CGEDLP C=CCC[C@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000120181878 330386175 /nfs/dbraw/zinc/38/61/75/330386175.db2.gz DDIRONVTWXCNCC-HOCLYGCPSA-N 2 2 250.430 3.053 20 30 CGEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000120181878 330386176 /nfs/dbraw/zinc/38/61/76/330386176.db2.gz DDIRONVTWXCNCC-HOCLYGCPSA-N 2 2 250.430 3.053 20 30 CGEDLP C=CC[C@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000163323102 331021262 /nfs/dbraw/zinc/02/12/62/331021262.db2.gz AFJNRMUBDBAMAQ-RDJZCZTQSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CC[C@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000163323102 331021263 /nfs/dbraw/zinc/02/12/63/331021263.db2.gz AFJNRMUBDBAMAQ-RDJZCZTQSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CCC)C(C)(C)C)CC1 ZINC000453088412 331088037 /nfs/dbraw/zinc/08/80/37/331088037.db2.gz AJTMJEIRKJBWJA-OAHLLOKOSA-N 2 2 252.446 3.441 20 30 CGEDLP C=CC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000453312139 331114968 /nfs/dbraw/zinc/11/49/68/331114968.db2.gz UQHKRFIWFDTBEN-RDJZCZTQSA-N 2 2 287.451 3.094 20 30 CGEDLP C=CC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000453312139 331114969 /nfs/dbraw/zinc/11/49/69/331114969.db2.gz UQHKRFIWFDTBEN-RDJZCZTQSA-N 2 2 287.451 3.094 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000177910209 333065583 /nfs/dbraw/zinc/06/55/83/333065583.db2.gz KCUTUNOXIDGNLU-KBPBESRZSA-N 2 2 250.430 3.051 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H](C)[C@]1(C)CCCO1)C(C)C ZINC000551266172 334243791 /nfs/dbraw/zinc/24/37/91/334243791.db2.gz XLCHVVZHIMFRJJ-KURKYZTESA-N 2 2 294.483 3.232 20 30 CGEDLP CC[C@@H](C[NH2+][C@@H](CC)c1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000576460185 335206368 /nfs/dbraw/zinc/20/63/68/335206368.db2.gz RRCIWYMHTRAPOP-ROUUACIJSA-N 2 2 285.435 3.473 20 30 CGEDLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]CCC#N)C1 ZINC000577858880 335412690 /nfs/dbraw/zinc/41/26/90/335412690.db2.gz CGKHBNFQMCCCMP-HOTGVXAUSA-N 2 2 285.435 3.168 20 30 CGEDLP CC1(C#N)CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000334615575 528841841 /nfs/dbraw/zinc/84/18/41/528841841.db2.gz MLQPHGIRNJECGA-UHFFFAOYSA-N 2 2 286.404 3.059 20 30 CGEDLP CCCCCCCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000741807509 572531592 /nfs/dbraw/zinc/53/15/92/572531592.db2.gz AETTYBLRIZJERG-KRWDZBQOSA-N 2 2 282.472 3.001 20 30 CGEDLP CCCCCCCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000741807509 572531596 /nfs/dbraw/zinc/53/15/96/572531596.db2.gz AETTYBLRIZJERG-KRWDZBQOSA-N 2 2 282.472 3.001 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000924983592 619475467 /nfs/dbraw/zinc/47/54/67/619475467.db2.gz GYWIUHXXWCQFRZ-CVEARBPZSA-N 2 2 264.457 3.441 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000903047552 621554947 /nfs/dbraw/zinc/55/49/47/621554947.db2.gz PQTVFYJLHNUMLW-SJORKVTESA-N 2 2 285.435 3.472 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000903047552 621554959 /nfs/dbraw/zinc/55/49/59/621554959.db2.gz PQTVFYJLHNUMLW-SJORKVTESA-N 2 2 285.435 3.472 20 30 CGEDLP C=CCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000883172088 636566335 /nfs/dbraw/zinc/56/63/35/636566335.db2.gz UNXSHSFVQIIMQY-FUHWJXTLSA-N 2 2 283.419 3.439 20 30 CGEDLP C#C[C@](C)(CC)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000852103219 637597648 /nfs/dbraw/zinc/59/76/48/637597648.db2.gz ANXNGOBWJQOVMD-QGZVFWFLSA-N 2 2 267.376 3.072 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000924984849 638435031 /nfs/dbraw/zinc/43/50/31/638435031.db2.gz YICHOBSZWJRXBQ-GOSISDBHSA-N 2 2 285.435 3.163 20 30 CGEDLP CCCCCCCC[C@@H](O)C[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001252136679 806023835 /nfs/dbraw/zinc/02/38/35/806023835.db2.gz TVKCQNLGAKJRJS-DLBZAZTESA-N 2 2 284.488 3.172 20 30 CGEDLP CCCCCCCC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254839607 806494935 /nfs/dbraw/zinc/49/49/35/806494935.db2.gz ULFVZDHTSWARKZ-INIZCTEOSA-N 2 2 252.446 3.421 20 30 CGEDLP C=CCC[C@@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716279401 800167440 /nfs/dbraw/zinc/16/74/40/800167440.db2.gz LCTCZPAYLUBTHW-OAHLLOKOSA-N 2 2 258.409 3.063 20 30 CGEDLP C[C@@H](CCCC#N)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001172491202 808350692 /nfs/dbraw/zinc/35/06/92/808350692.db2.gz MDHSHSYQVQJJJF-ZDUSSCGKSA-N 2 2 268.364 3.264 20 30 CGEDLP C=C(C)COc1ccccc1C[N@H+](CC)CCC[NH+](C)C ZINC001138666493 803998465 /nfs/dbraw/zinc/99/84/65/803998465.db2.gz VHOVTTABOSUPKC-UHFFFAOYSA-N 2 2 290.451 3.415 20 30 CGEDLP C=C(C)COc1ccccc1C[N@@H+](CC)CCC[NH+](C)C ZINC001138666493 803998469 /nfs/dbraw/zinc/99/84/69/803998469.db2.gz VHOVTTABOSUPKC-UHFFFAOYSA-N 2 2 290.451 3.415 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246025031 804099559 /nfs/dbraw/zinc/09/95/59/804099559.db2.gz KBVPMFOHNLZDQU-ZWKOTPCHSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@]2(CC[NH2+]2)C1 ZINC001246025031 804099568 /nfs/dbraw/zinc/09/95/68/804099568.db2.gz KBVPMFOHNLZDQU-ZWKOTPCHSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@H+](CCC)[C@@H]1CC[NH2+]C1 ZINC001246053550 804104633 /nfs/dbraw/zinc/10/46/33/804104633.db2.gz SGDZOAWJLIIHEH-SJORKVTESA-N 2 2 284.488 3.172 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@@H+](CCC)[C@@H]1CC[NH2+]C1 ZINC001246053550 804104639 /nfs/dbraw/zinc/10/46/39/804104639.db2.gz SGDZOAWJLIIHEH-SJORKVTESA-N 2 2 284.488 3.172 20 30 CGEDLP CCCCCCC[C@@H](C)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246141019 804163626 /nfs/dbraw/zinc/16/36/26/804163626.db2.gz HTLIDSAUYMUZJR-SJORKVTESA-N 3 2 295.515 3.199 20 30 CGEDLP CCCCCCCC[C@H](CC)[NH2+][C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001246290227 804261795 /nfs/dbraw/zinc/26/17/95/804261795.db2.gz FEVDXWGMRMGFOB-YESZJQIVSA-N 2 2 284.488 3.482 20 30 CGEDLP CCCCCCCC[C@H](CC)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246551163 804400218 /nfs/dbraw/zinc/40/02/18/804400218.db2.gz PFOCOLVSGVLFMD-DLBZAZTESA-N 2 2 284.488 3.436 20 30 CGEDLP CCCCCCCC[C@H](CC)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246551163 804400225 /nfs/dbraw/zinc/40/02/25/804400225.db2.gz PFOCOLVSGVLFMD-DLBZAZTESA-N 2 2 284.488 3.436 20 30 CGEDLP C(#Cc1ccccc1)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167970434 807287738 /nfs/dbraw/zinc/28/77/38/807287738.db2.gz KVLQQEMYHINKCH-IHWFROFDSA-N 2 2 294.442 3.033 20 30 CGEDLP C(#Cc1ccccc1)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167970434 807287745 /nfs/dbraw/zinc/28/77/45/807287745.db2.gz KVLQQEMYHINKCH-IHWFROFDSA-N 2 2 294.442 3.033 20 30 CGEDLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@](C)(C#N)C(C)C ZINC001258899215 807669263 /nfs/dbraw/zinc/66/92/63/807669263.db2.gz IAVMCMPEKUKCMM-LSDHHAIUSA-N 2 2 253.434 3.025 20 30 CGEDLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C#N)CC(C)C ZINC001258902779 807671127 /nfs/dbraw/zinc/67/11/27/807671127.db2.gz FTACLZZIRYCXCV-LSDHHAIUSA-N 2 2 253.434 3.025 20 30 CGEDLP CC[NH+](CC)CCC[C@H](C)[NH2+]C(C#N)(CC)CC ZINC001258906579 807671381 /nfs/dbraw/zinc/67/13/81/807671381.db2.gz GBELEBKINNXKFB-AWEZNQCLSA-N 2 2 253.434 3.169 20 30 CGEDLP C[C@@H](CC#N)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976830 808163099 /nfs/dbraw/zinc/16/30/99/808163099.db2.gz ULGWQPGFBIYBAL-DOTOQJQBSA-N 2 2 285.435 3.321 20 30 CGEDLP C[C@@H](CC#N)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976830 808163102 /nfs/dbraw/zinc/16/31/02/808163102.db2.gz ULGWQPGFBIYBAL-DOTOQJQBSA-N 2 2 285.435 3.321 20 30 CGEDLP C[C@@H](CCCC#N)[NH+]1CCC([NH3+])(c2ccccc2F)CC1 ZINC001172487105 808347733 /nfs/dbraw/zinc/34/77/33/808347733.db2.gz JSNJFCFUKPKCRY-AWEZNQCLSA-N 2 2 289.398 3.158 20 30 CGEDLP C=CCOC1CCC([N@@H+](C(C)C)C2CC[NH+](C)CC2)CC1 ZINC001173325287 808612555 /nfs/dbraw/zinc/61/25/55/808612555.db2.gz JAIJYJGRNJDVIC-UHFFFAOYSA-N 2 2 294.483 3.305 20 30 CGEDLP C=CCOC1CCC([N@H+](C(C)C)C2CC[NH+](C)CC2)CC1 ZINC001173325287 808612558 /nfs/dbraw/zinc/61/25/58/808612558.db2.gz JAIJYJGRNJDVIC-UHFFFAOYSA-N 2 2 294.483 3.305 20 30 CGEDLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001204772441 812732388 /nfs/dbraw/zinc/73/23/88/812732388.db2.gz VQHMVJTZSYMVQW-FQEVSTJZSA-N 2 2 290.410 3.010 20 30 CGEDLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001204772441 812732390 /nfs/dbraw/zinc/73/23/90/812732390.db2.gz VQHMVJTZSYMVQW-FQEVSTJZSA-N 2 2 290.410 3.010 20 30 CGEDLP CCCC[N@@H+](CCC#N)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232013618 818232632 /nfs/dbraw/zinc/23/26/32/818232632.db2.gz BDLCUTCTQNMCPG-UHFFFAOYSA-N 2 2 256.353 3.079 20 30 CGEDLP CCC[N@H+](CCC#N)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232148179 818264295 /nfs/dbraw/zinc/26/42/95/818264295.db2.gz XUKYELXVGKGVCJ-UHFFFAOYSA-N 2 2 277.387 3.013 20 30 CGEDLP CCC[N@@H+](CCC#N)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232148179 818264302 /nfs/dbraw/zinc/26/43/02/818264302.db2.gz XUKYELXVGKGVCJ-UHFFFAOYSA-N 2 2 277.387 3.013 20 30 CGEDLP N#CCC[N@H+](CCC[NH2+]C1CCCCC1)C1CCCC1 ZINC001235663347 819132649 /nfs/dbraw/zinc/13/26/49/819132649.db2.gz IDCZHRQZEUCXDS-UHFFFAOYSA-N 2 2 277.456 3.457 20 30 CGEDLP N#CCC[N@@H+](CCC[NH2+]C1CCCCC1)C1CCCC1 ZINC001235663347 819132652 /nfs/dbraw/zinc/13/26/52/819132652.db2.gz IDCZHRQZEUCXDS-UHFFFAOYSA-N 2 2 277.456 3.457 20 30 CGEDLP CCCCCCCCC[N@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001236336506 819428048 /nfs/dbraw/zinc/42/80/48/819428048.db2.gz YLAJFYQKXBTJFE-INIZCTEOSA-N 2 2 270.461 3.047 20 30 CGEDLP CCCCCCCCC[N@@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001236336506 819428053 /nfs/dbraw/zinc/42/80/53/819428053.db2.gz YLAJFYQKXBTJFE-INIZCTEOSA-N 2 2 270.461 3.047 20 30 CGEDLP C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000651716076 398274631 /nfs/dbraw/zinc/27/46/31/398274631.db2.gz KFXWJQOTFXTLBP-JKSUJKDBSA-N 2 2 294.483 3.210 20 30 CGEDLP N#CC1(CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000591013258 346894424 /nfs/dbraw/zinc/89/44/24/346894424.db2.gz OVEYAIZKALGYON-INIZCTEOSA-N 2 2 286.423 3.384 20 30 CGEDLP N#CC1(CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCCCC1 ZINC000591013258 346894426 /nfs/dbraw/zinc/89/44/26/346894426.db2.gz OVEYAIZKALGYON-INIZCTEOSA-N 2 2 286.423 3.384 20 30 CGEDLP CC[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(C#N)cc1 ZINC000423404249 529617045 /nfs/dbraw/zinc/61/70/45/529617045.db2.gz ZOLZBPAEKFUJNZ-IRXDYDNUSA-N 2 2 285.435 3.377 20 30 CGEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1Cl ZINC000237086598 346344253 /nfs/dbraw/zinc/34/42/53/346344253.db2.gz KRQGOCKQZRCGJL-AWEZNQCLSA-N 2 2 294.826 3.089 20 30 CGEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1Cl ZINC000237086598 346344257 /nfs/dbraw/zinc/34/42/57/346344257.db2.gz KRQGOCKQZRCGJL-AWEZNQCLSA-N 2 2 294.826 3.089 20 30 CGEDLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000586795738 346737023 /nfs/dbraw/zinc/73/70/23/346737023.db2.gz WOPSLHIFSTUMQQ-HKUYNNGSSA-N 2 2 297.446 3.400 20 30 CGEDLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000586795738 346737025 /nfs/dbraw/zinc/73/70/25/346737025.db2.gz WOPSLHIFSTUMQQ-HKUYNNGSSA-N 2 2 297.446 3.400 20 30 CGEDLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc(C#N)c1 ZINC000594724238 347213520 /nfs/dbraw/zinc/21/35/20/347213520.db2.gz QFBJSQMWGKXORF-CZUORRHYSA-N 2 2 271.408 3.082 20 30 CGEDLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cccc(C#N)c1 ZINC000594724238 347213523 /nfs/dbraw/zinc/21/35/23/347213523.db2.gz QFBJSQMWGKXORF-CZUORRHYSA-N 2 2 271.408 3.082 20 30 CGEDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000595094102 347282060 /nfs/dbraw/zinc/28/20/60/347282060.db2.gz CMEJBWRLTQJXRJ-MJGOQNOKSA-N 2 2 297.446 3.400 20 30 CGEDLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000595094102 347282065 /nfs/dbraw/zinc/28/20/65/347282065.db2.gz CMEJBWRLTQJXRJ-MJGOQNOKSA-N 2 2 297.446 3.400 20 30 CGEDLP CC1CC(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000598648417 347674831 /nfs/dbraw/zinc/67/48/31/347674831.db2.gz PYAOGPYKBFCWKL-UHFFFAOYSA-N 2 2 297.446 3.158 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+][C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000602510049 347972759 /nfs/dbraw/zinc/97/27/59/347972759.db2.gz QPLXWACPDCBKHQ-FUHWJXTLSA-N 2 2 285.435 3.353 20 30 CGEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCC(C#N)CC1 ZINC000602582773 347987889 /nfs/dbraw/zinc/98/78/89/347987889.db2.gz ULKQHOIIHOQKTC-KLHKWILBSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCC(C#N)CC1 ZINC000602582773 347987892 /nfs/dbraw/zinc/98/78/92/347987892.db2.gz ULKQHOIIHOQKTC-KLHKWILBSA-N 2 2 285.435 3.179 20 30 CGEDLP Cn1c2ccccc2[nH+]c1CCC[NH2+]C1CCC(C#N)CC1 ZINC000602591335 347990362 /nfs/dbraw/zinc/99/03/62/347990362.db2.gz ABRLLOFQBFFLAV-UHFFFAOYSA-N 2 2 296.418 3.178 20 30 CGEDLP C[C@@H]1[C@H]([NH2+]C2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000602664709 348004299 /nfs/dbraw/zinc/00/42/99/348004299.db2.gz QFNKBNFRTSPGLQ-JVGQSUMCSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H]1[C@H]([NH2+]C2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000602664709 348004300 /nfs/dbraw/zinc/00/43/00/348004300.db2.gz QFNKBNFRTSPGLQ-JVGQSUMCSA-N 2 2 297.446 3.321 20 30 CGEDLP CCC1([NH+](C)C)CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000602967739 348047659 /nfs/dbraw/zinc/04/76/59/348047659.db2.gz PSEAUUGAPIKUDI-HNNXBMFYSA-N 2 2 285.435 3.425 20 30 CGEDLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000612585264 348530595 /nfs/dbraw/zinc/53/05/95/348530595.db2.gz UDCLFURVVFYYMI-HOCLYGCPSA-N 2 2 277.456 3.169 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)s2)CC1 ZINC000177904557 189078647 /nfs/dbraw/zinc/07/86/47/189078647.db2.gz OVODCEUOTKYMDG-CYBMUJFWSA-N 2 2 264.438 3.358 20 30 CGEDLP CCCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181393749 189295270 /nfs/dbraw/zinc/29/52/70/189295270.db2.gz XNHNDALMRWPPPB-UHFFFAOYSA-N 2 2 285.435 3.302 20 30 CGEDLP C=CCOc1ccccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000034996611 368988549 /nfs/dbraw/zinc/98/85/49/368988549.db2.gz FGPSHLPADBPMEU-UHFFFAOYSA-N 2 2 288.435 3.214 20 30 CGEDLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)Cc1ccccc1 ZINC000442716604 373070835 /nfs/dbraw/zinc/07/08/35/373070835.db2.gz OKLHRXINVALGDX-QRVBRYPASA-N 2 2 299.462 3.221 20 30 CGEDLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000344844428 217330711 /nfs/dbraw/zinc/33/07/11/217330711.db2.gz RJNIOHGESVZHCC-PBHICJAKSA-N 2 2 289.423 3.141 20 30 CGEDLP C=C(CC)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449732879 373858077 /nfs/dbraw/zinc/85/80/77/373858077.db2.gz DYQLQNCJSWIDPZ-UHFFFAOYSA-N 2 2 283.419 3.078 20 30 CGEDLP C=CCCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000471586858 375002877 /nfs/dbraw/zinc/00/28/77/375002877.db2.gz SARDPRNJNWTAIA-FUHWJXTLSA-N 2 2 272.436 3.453 20 30 CGEDLP C=CCCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000471586858 375002884 /nfs/dbraw/zinc/00/28/84/375002884.db2.gz SARDPRNJNWTAIA-FUHWJXTLSA-N 2 2 272.436 3.453 20 30 CGEDLP Cc1cc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000336096252 375683986 /nfs/dbraw/zinc/68/39/86/375683986.db2.gz XPIOKURHLMRJRY-KSSFIOAISA-N 2 2 294.402 3.146 20 30 CGEDLP Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000336096252 375683993 /nfs/dbraw/zinc/68/39/93/375683993.db2.gz XPIOKURHLMRJRY-KSSFIOAISA-N 2 2 294.402 3.146 20 30 CGEDLP C=CCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000272874754 378716082 /nfs/dbraw/zinc/71/60/82/378716082.db2.gz UEWDLAJXLXFFMB-CQSZACIVSA-N 2 2 255.365 3.489 20 30 CGEDLP C=CC[N@H+](Cc1c(C)cc(C)[nH+]c1C)[C@@H](C)COC ZINC000639784856 379583736 /nfs/dbraw/zinc/58/37/36/379583736.db2.gz PGXRFSDOGHGKOF-AWEZNQCLSA-N 2 2 262.397 3.030 20 30 CGEDLP C=CC[N@@H+](Cc1c(C)cc(C)[nH+]c1C)[C@@H](C)COC ZINC000639784856 379583740 /nfs/dbraw/zinc/58/37/40/379583740.db2.gz PGXRFSDOGHGKOF-AWEZNQCLSA-N 2 2 262.397 3.030 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)[C@@H]2CC2(C)C)CC1 ZINC000414131937 380191969 /nfs/dbraw/zinc/19/19/69/380191969.db2.gz YPNSJBNCRNPTBK-GJZGRUSLSA-N 2 2 250.430 3.051 20 30 CGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000358337017 381306635 /nfs/dbraw/zinc/30/66/35/381306635.db2.gz DWKPNLCRQDCVNC-FHLIZLRMSA-N 2 2 283.419 3.104 20 30 CGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000358337017 381306640 /nfs/dbraw/zinc/30/66/40/381306640.db2.gz DWKPNLCRQDCVNC-FHLIZLRMSA-N 2 2 283.419 3.104 20 30 CGEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000353767001 220315137 /nfs/dbraw/zinc/31/51/37/220315137.db2.gz JVBYWLAIPVJTRG-BBRMVZONSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000353767001 220315139 /nfs/dbraw/zinc/31/51/39/220315139.db2.gz JVBYWLAIPVJTRG-BBRMVZONSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000353767001 220315142 /nfs/dbraw/zinc/31/51/42/220315142.db2.gz JVBYWLAIPVJTRG-BBRMVZONSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000353767001 220315145 /nfs/dbraw/zinc/31/51/45/220315145.db2.gz JVBYWLAIPVJTRG-BBRMVZONSA-N 2 2 289.398 3.002 20 30 CGEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1F ZINC000183165764 392753808 /nfs/dbraw/zinc/75/38/08/392753808.db2.gz DPEXJOPFSZLFLY-UHFFFAOYSA-N 2 2 273.355 3.101 20 30 CGEDLP C=CC[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1F ZINC000183165764 392753817 /nfs/dbraw/zinc/75/38/17/392753817.db2.gz DPEXJOPFSZLFLY-UHFFFAOYSA-N 2 2 273.355 3.101 20 30 CGEDLP C[C@@H]1C[C@H]([NH+](C)CC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000343314850 393024205 /nfs/dbraw/zinc/02/42/05/393024205.db2.gz OOBNGVGYBVCLBL-SJLPKXTDSA-N 2 2 297.446 3.275 20 30 CGEDLP C[C@@H]1C[C@H]([NH+](C)CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000343314850 393024210 /nfs/dbraw/zinc/02/42/10/393024210.db2.gz OOBNGVGYBVCLBL-SJLPKXTDSA-N 2 2 297.446 3.275 20 30 CGEDLP C[C@@H]1C[C@H]([N@H+](C)CC2(C#N)CC2)CC[NH+]1Cc1ccccc1 ZINC000343314850 393024215 /nfs/dbraw/zinc/02/42/15/393024215.db2.gz OOBNGVGYBVCLBL-SJLPKXTDSA-N 2 2 297.446 3.275 20 30 CGEDLP C[C@@H]1C[C@H]([N@@H+](C)CC2(C#N)CC2)CC[NH+]1Cc1ccccc1 ZINC000343314850 393024221 /nfs/dbraw/zinc/02/42/21/393024221.db2.gz OOBNGVGYBVCLBL-SJLPKXTDSA-N 2 2 297.446 3.275 20 30 CGEDLP C[C@H]1C[C@H]([NH+](C)CC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000343314849 393024279 /nfs/dbraw/zinc/02/42/79/393024279.db2.gz OOBNGVGYBVCLBL-FUHWJXTLSA-N 2 2 297.446 3.275 20 30 CGEDLP C[C@H]1C[C@H]([NH+](C)CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000343314849 393024287 /nfs/dbraw/zinc/02/42/87/393024287.db2.gz OOBNGVGYBVCLBL-FUHWJXTLSA-N 2 2 297.446 3.275 20 30 CGEDLP C[C@H]1C[C@H]([N@H+](C)CC2(C#N)CC2)CC[NH+]1Cc1ccccc1 ZINC000343314849 393024293 /nfs/dbraw/zinc/02/42/93/393024293.db2.gz OOBNGVGYBVCLBL-FUHWJXTLSA-N 2 2 297.446 3.275 20 30 CGEDLP C[C@H]1C[C@H]([N@@H+](C)CC2(C#N)CC2)CC[NH+]1Cc1ccccc1 ZINC000343314849 393024299 /nfs/dbraw/zinc/02/42/99/393024299.db2.gz OOBNGVGYBVCLBL-FUHWJXTLSA-N 2 2 297.446 3.275 20 30 CGEDLP C=CC[N@H+](Cc1c[nH+]c2n1CCC2)Cc1ccccc1 ZINC000667518163 542882715 /nfs/dbraw/zinc/88/27/15/542882715.db2.gz QVKZLADNQOUACA-UHFFFAOYSA-N 2 2 267.376 3.018 20 30 CGEDLP C=CC[N@@H+](Cc1c[nH+]c2n1CCC2)Cc1ccccc1 ZINC000667518163 542882717 /nfs/dbraw/zinc/88/27/17/542882717.db2.gz QVKZLADNQOUACA-UHFFFAOYSA-N 2 2 267.376 3.018 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000657835691 419379182 /nfs/dbraw/zinc/37/91/82/419379182.db2.gz QJBUMBRQVYJEBN-WBVHZDCISA-N 2 2 287.451 3.486 20 30 CGEDLP C[C@@H](CC#N)[NH+](C)Cc1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000161754153 261259655 /nfs/dbraw/zinc/25/96/55/261259655.db2.gz OZCBXKBDDYXOQB-HOTGVXAUSA-N 2 2 298.434 3.155 20 30 CGEDLP C[C@@H](CC#N)[NH+](C)Cc1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000161754153 261259658 /nfs/dbraw/zinc/25/96/58/261259658.db2.gz OZCBXKBDDYXOQB-HOTGVXAUSA-N 2 2 298.434 3.155 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2Cn2cc[nH+]c2)C1 ZINC000278159359 263045606 /nfs/dbraw/zinc/04/56/06/263045606.db2.gz BGOFIAJVJSBANY-QAPCUYQASA-N 2 2 294.402 3.103 20 30 CGEDLP C=CC[C@H](CC)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000341501879 263339767 /nfs/dbraw/zinc/33/97/67/263339767.db2.gz YJLAFWBWCQVXDI-LBPRGKRZSA-N 2 2 261.394 3.378 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000418140792 267361784 /nfs/dbraw/zinc/36/17/84/267361784.db2.gz KFBJPQPEAAPASU-AEFFLSMTSA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000418140792 267361786 /nfs/dbraw/zinc/36/17/86/267361786.db2.gz KFBJPQPEAAPASU-AEFFLSMTSA-N 2 2 297.446 3.323 20 30 CGEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423563846 294948309 /nfs/dbraw/zinc/94/83/09/294948309.db2.gz RNIQMPHLIDMROZ-SJLPKXTDSA-N 2 2 283.419 3.057 20 30 CGEDLP C=CCCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000571508559 328129151 /nfs/dbraw/zinc/12/91/51/328129151.db2.gz IYWFPQIAVPEBJC-DOTOQJQBSA-N 2 2 258.409 3.378 20 30 CGEDLP C=CCCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000571508559 328129153 /nfs/dbraw/zinc/12/91/53/328129153.db2.gz IYWFPQIAVPEBJC-DOTOQJQBSA-N 2 2 258.409 3.378 20 30 CGEDLP C=CCC[C@@H](CC)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000378185885 329042497 /nfs/dbraw/zinc/04/24/97/329042497.db2.gz VAYXZSMZWONYQN-HUUCEWRRSA-N 2 2 261.413 3.403 20 30 CGEDLP C=CCOc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422910910 330159937 /nfs/dbraw/zinc/15/99/37/330159937.db2.gz RUWZQCBPGPKIIV-ZWKOTPCHSA-N 2 2 294.398 3.486 20 30 CGEDLP C=CCCCC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423048176 330167071 /nfs/dbraw/zinc/16/70/71/330167071.db2.gz HSYVBWFEIBXFJC-QZTJIDSGSA-N 2 2 288.435 3.434 20 30 CGEDLP C=CCCC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423084227 330168938 /nfs/dbraw/zinc/16/89/38/330168938.db2.gz HCSNIKQMJQSQIH-DLBZAZTESA-N 2 2 274.408 3.044 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527953969 330294689 /nfs/dbraw/zinc/29/46/89/330294689.db2.gz XVBAJECLYQRQAC-VYDXJSESSA-N 2 2 275.440 3.065 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527953969 330294690 /nfs/dbraw/zinc/29/46/90/330294690.db2.gz XVBAJECLYQRQAC-VYDXJSESSA-N 2 2 275.440 3.065 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)C[N@H+](Cc2ccccc2)C1 ZINC000459684334 331294294 /nfs/dbraw/zinc/29/42/94/331294294.db2.gz CDJOORVUYJAQLJ-FUHWJXTLSA-N 2 2 299.462 3.426 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)C[N@@H+](Cc2ccccc2)C1 ZINC000459684334 331294295 /nfs/dbraw/zinc/29/42/95/331294295.db2.gz CDJOORVUYJAQLJ-FUHWJXTLSA-N 2 2 299.462 3.426 20 30 CGEDLP C=CCCCCC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000488206754 331993868 /nfs/dbraw/zinc/99/38/68/331993868.db2.gz WSRYJVBTJVADJH-UHFFFAOYSA-N 2 2 273.424 3.258 20 30 CGEDLP C#C[C@@H]([NH2+]CCCc1c[nH+]ccc1C)c1ccc(F)cc1 ZINC000491662671 332272176 /nfs/dbraw/zinc/27/21/76/332272176.db2.gz OTQWCEBXYLJWOQ-GOSISDBHSA-N 2 2 282.362 3.426 20 30 CGEDLP C=CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549166985 334186905 /nfs/dbraw/zinc/18/69/05/334186905.db2.gz WPLMDUPEOXCCLG-VQTJNVASSA-N 2 2 292.426 3.430 20 30 CGEDLP C=CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549166985 334186906 /nfs/dbraw/zinc/18/69/06/334186906.db2.gz WPLMDUPEOXCCLG-VQTJNVASSA-N 2 2 292.426 3.430 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)C1CC1 ZINC000747857458 572951719 /nfs/dbraw/zinc/95/17/19/572951719.db2.gz OSGLBMWJRQOKLR-GDBMZVCRSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC000924984197 619475836 /nfs/dbraw/zinc/47/58/36/619475836.db2.gz PJAQRYAMMXGTSD-APWZRJJASA-N 2 2 299.462 3.033 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3cccc(C)c32)CC1 ZINC000924984583 619476446 /nfs/dbraw/zinc/47/64/46/619476446.db2.gz VVZMVCHIWGYEKS-KRWDZBQOSA-N 2 2 270.420 3.222 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccnc(Cl)c2)CC1 ZINC000765832541 627274282 /nfs/dbraw/zinc/27/42/82/627274282.db2.gz HJQRKBFBRIYXTR-LBPRGKRZSA-N 2 2 279.815 3.036 20 30 CGEDLP N#Cc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000784500546 628816867 /nfs/dbraw/zinc/81/68/67/628816867.db2.gz CGFZXKYXUQTWCE-UHFFFAOYSA-N 2 2 294.383 3.095 20 30 CGEDLP C=CCC[C@@H](CCC)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938419 632239301 /nfs/dbraw/zinc/23/93/01/632239301.db2.gz JZPHUUFRCKMDJT-SJLPKXTDSA-N 2 2 289.467 3.477 20 30 CGEDLP C=CC[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000878397921 635487707 /nfs/dbraw/zinc/48/77/07/635487707.db2.gz SXFKQOBNNSOOAK-KGLIPLIRSA-N 2 2 255.365 3.488 20 30 CGEDLP C=CCC[C@@H](COc1ccccc1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000883171868 636565160 /nfs/dbraw/zinc/56/51/60/636565160.db2.gz LFJPXWWKMMKYRJ-IRXDYDNUSA-N 2 2 299.418 3.275 20 30 CGEDLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925052198 638443988 /nfs/dbraw/zinc/44/39/88/638443988.db2.gz PHGCKMATQWCTNW-GJZGRUSLSA-N 2 2 265.445 3.169 20 30 CGEDLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925052198 638443993 /nfs/dbraw/zinc/44/39/93/638443993.db2.gz PHGCKMATQWCTNW-GJZGRUSLSA-N 2 2 265.445 3.169 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000926323912 638763090 /nfs/dbraw/zinc/76/30/90/638763090.db2.gz PCCITGPOZLGRHI-ZIAGYGMSSA-N 2 2 265.445 3.025 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000926323912 638763093 /nfs/dbraw/zinc/76/30/93/638763093.db2.gz PCCITGPOZLGRHI-ZIAGYGMSSA-N 2 2 265.445 3.025 20 30 CGEDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926715201 638802564 /nfs/dbraw/zinc/80/25/64/638802564.db2.gz SDOQZIROEOKKJW-GJZGRUSLSA-N 2 2 265.445 3.025 20 30 CGEDLP N#CC1CCC(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CC1 ZINC000930129454 638976739 /nfs/dbraw/zinc/97/67/39/638976739.db2.gz PLLPYDVBVNSVEZ-UHFFFAOYSA-N 2 2 298.434 3.288 20 30 CGEDLP C=CC[NH+](C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C(C)(C)C ZINC001255684253 806705303 /nfs/dbraw/zinc/70/53/03/806705303.db2.gz VTOLQEBZUUPTNE-YIONKMFJSA-N 2 2 250.430 3.288 20 30 CGEDLP C=CC[NH+](C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC001255684253 806705309 /nfs/dbraw/zinc/70/53/09/806705309.db2.gz VTOLQEBZUUPTNE-YIONKMFJSA-N 2 2 250.430 3.288 20 30 CGEDLP C=CC[N@@H+](C1C[C@H]2CCC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC001255684253 806705311 /nfs/dbraw/zinc/70/53/11/806705311.db2.gz VTOLQEBZUUPTNE-YIONKMFJSA-N 2 2 250.430 3.288 20 30 CGEDLP C=CC[N@H+](C1C[C@H]2CCC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC001255684253 806705316 /nfs/dbraw/zinc/70/53/16/806705316.db2.gz VTOLQEBZUUPTNE-YIONKMFJSA-N 2 2 250.430 3.288 20 30 CGEDLP N#CC[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256610847 806925427 /nfs/dbraw/zinc/92/54/27/806925427.db2.gz IYZRBGHCDCDERJ-GOSISDBHSA-N 2 2 297.446 3.277 20 30 CGEDLP N#CC[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256610847 806925430 /nfs/dbraw/zinc/92/54/30/806925430.db2.gz IYZRBGHCDCDERJ-GOSISDBHSA-N 2 2 297.446 3.277 20 30 CGEDLP C=CCCCCCC[C@H](O)C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC001245994789 804095973 /nfs/dbraw/zinc/09/59/73/804095973.db2.gz PRLOKHUGBBSSSW-ROUUACIJSA-N 2 2 290.451 3.164 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[NH+]1CC(C[NH2+]C)C1 ZINC001246032457 804102300 /nfs/dbraw/zinc/10/23/00/804102300.db2.gz SZSQMDKNOXYNIP-QGZVFWFLSA-N 2 2 284.488 3.029 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246032918 804102635 /nfs/dbraw/zinc/10/26/35/804102635.db2.gz MVEDLOSTMAIJHQ-ZWKOTPCHSA-N 2 2 294.483 3.092 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246032918 804102641 /nfs/dbraw/zinc/10/26/41/804102641.db2.gz MVEDLOSTMAIJHQ-ZWKOTPCHSA-N 2 2 294.483 3.092 20 30 CGEDLP CCCCCCCCC[C@H](C)[NH2+][C@H]1CCOC12C[NH2+]C2 ZINC001246123794 804153468 /nfs/dbraw/zinc/15/34/68/804153468.db2.gz FBPSGSOGJGDGQH-HOTGVXAUSA-N 2 2 282.472 3.236 20 30 CGEDLP C[NH+]1CCC([N@H+](C2CCCC2)C2CCC(C#N)CC2)CC1 ZINC001256971544 807020887 /nfs/dbraw/zinc/02/08/87/807020887.db2.gz VBRDURFRXLLASX-UHFFFAOYSA-N 2 2 289.467 3.408 20 30 CGEDLP C[NH+]1CCC([N@@H+](C2CCCC2)C2CCC(C#N)CC2)CC1 ZINC001256971544 807020897 /nfs/dbraw/zinc/02/08/97/807020897.db2.gz VBRDURFRXLLASX-UHFFFAOYSA-N 2 2 289.467 3.408 20 30 CGEDLP CCCCCCC[C@H](CCC)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246918470 804599949 /nfs/dbraw/zinc/59/99/49/804599949.db2.gz KPPFJVQYXUJPKK-JYJNAYRXSA-N 2 2 252.446 3.419 20 30 CGEDLP CCCCCCC[C@H](CCC)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246918470 804599955 /nfs/dbraw/zinc/59/99/55/804599955.db2.gz KPPFJVQYXUJPKK-JYJNAYRXSA-N 2 2 252.446 3.419 20 30 CGEDLP C=CCC[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001258724691 807572687 /nfs/dbraw/zinc/57/26/87/807572687.db2.gz CJLUMHXMEKAYHO-AWEZNQCLSA-N 2 2 260.381 3.280 20 30 CGEDLP CC1(C)C[C@@H](Nc2[nH+]cccc2CC#N)C[C@](C)(C[NH3+])C1 ZINC001169138271 807588625 /nfs/dbraw/zinc/58/86/25/807588625.db2.gz PFVBVFAIMOVVPH-PBHICJAKSA-N 2 2 286.423 3.103 20 30 CGEDLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@](C)(C#N)CC(C)C ZINC001258908400 807672792 /nfs/dbraw/zinc/67/27/92/807672792.db2.gz YYDIWXLQZUDVJR-HZPDHXFCSA-N 2 2 267.461 3.415 20 30 CGEDLP C[C@@H](CC#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001172067694 808169991 /nfs/dbraw/zinc/16/99/91/808169991.db2.gz ROSYBXHUHKLJQH-DSLXNQLJSA-N 2 2 297.446 3.464 20 30 CGEDLP C[C@@H](CC#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067694 808169992 /nfs/dbraw/zinc/16/99/92/808169992.db2.gz ROSYBXHUHKLJQH-DSLXNQLJSA-N 2 2 297.446 3.464 20 30 CGEDLP C[C@H](CCCC#N)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001172493798 808354357 /nfs/dbraw/zinc/35/43/57/808354357.db2.gz OANBSQBWTJBNIT-CQSZACIVSA-N 2 2 273.380 3.007 20 30 CGEDLP CC[NH+](CC)C1CCC([NH2+][C@@](C)(C#N)C(C)C)CC1 ZINC001173101549 808509827 /nfs/dbraw/zinc/50/98/27/808509827.db2.gz KBUHAVYOQLSQMY-GPANFISMSA-N 2 2 265.445 3.167 20 30 CGEDLP C=CCOC1CCC([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC001173314255 808607382 /nfs/dbraw/zinc/60/73/82/808607382.db2.gz MXOYAFSNGQUEBQ-AOCRQIFASA-N 2 2 294.483 3.210 20 30 CGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C2CCC(CC#N)CC2)C1 ZINC001173341526 808621008 /nfs/dbraw/zinc/62/10/08/808621008.db2.gz YOUYKGUWYILSHO-JCYILVPMSA-N 2 2 299.418 3.316 20 30 CGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173341526 808621014 /nfs/dbraw/zinc/62/10/14/808621014.db2.gz YOUYKGUWYILSHO-JCYILVPMSA-N 2 2 299.418 3.316 20 30 CGEDLP CC1(C#N)CCC(N(c2cccc[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001173600340 808650715 /nfs/dbraw/zinc/65/07/15/808650715.db2.gz BEHRJAHIQNYJSA-UHFFFAOYSA-N 2 2 298.434 3.112 20 30 CGEDLP C#CCCC[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001209268290 813989893 /nfs/dbraw/zinc/98/98/93/813989893.db2.gz XTBMQLZPMGWQOK-UHFFFAOYSA-N 2 2 288.410 3.135 20 30 CGEDLP C#CCCC[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001209268290 813989898 /nfs/dbraw/zinc/98/98/98/813989898.db2.gz XTBMQLZPMGWQOK-UHFFFAOYSA-N 2 2 288.410 3.135 20 30 CGEDLP CCCCCCCCC[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001222360092 816419035 /nfs/dbraw/zinc/41/90/35/816419035.db2.gz GVJLOJWMKINPNS-QGZVFWFLSA-N 2 2 282.472 3.191 20 30 CGEDLP CCCCCCCCC[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001222360092 816419040 /nfs/dbraw/zinc/41/90/40/816419040.db2.gz GVJLOJWMKINPNS-QGZVFWFLSA-N 2 2 282.472 3.191 20 30 CGEDLP Cc1cc(C#N)cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001242479746 823007233 /nfs/dbraw/zinc/00/72/33/823007233.db2.gz HHQXVNQISVNWGS-LJQANCHMSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1cc(C#N)cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001242479746 823007236 /nfs/dbraw/zinc/00/72/36/823007236.db2.gz HHQXVNQISVNWGS-LJQANCHMSA-N 2 2 291.398 3.067 20 30 CGEDLP CC1(C)CC[N@H+](Cc2ccc(C#N)c(F)c2)CC(C)(C)[NH2+]1 ZINC001474754732 937879184 /nfs/dbraw/zinc/87/91/84/937879184.db2.gz BONZUNWAYPVZGU-UHFFFAOYSA-N 2 2 289.398 3.050 20 30 CGEDLP CC1(C)CC[N@@H+](Cc2ccc(C#N)c(F)c2)CC(C)(C)[NH2+]1 ZINC001474754732 937879186 /nfs/dbraw/zinc/87/91/86/937879186.db2.gz BONZUNWAYPVZGU-UHFFFAOYSA-N 2 2 289.398 3.050 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000623729136 349872243 /nfs/dbraw/zinc/87/22/43/349872243.db2.gz QFQUNJWXEGUXSG-BFYDXBDKSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000623729136 349872248 /nfs/dbraw/zinc/87/22/48/349872248.db2.gz QFQUNJWXEGUXSG-BFYDXBDKSA-N 2 2 262.441 3.338 20 30 CGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CCC1 ZINC000593695915 347104949 /nfs/dbraw/zinc/10/49/49/347104949.db2.gz WIFYZRWDYTWVNY-OAHLLOKOSA-N 2 2 297.446 3.301 20 30 CGEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000589643514 346805995 /nfs/dbraw/zinc/80/59/95/346805995.db2.gz YRTOFMHOPJAQLE-AWEZNQCLSA-N 2 2 294.826 3.089 20 30 CGEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000589643514 346805999 /nfs/dbraw/zinc/80/59/99/346805999.db2.gz YRTOFMHOPJAQLE-AWEZNQCLSA-N 2 2 294.826 3.089 20 30 CGEDLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(C#N)c1 ZINC000594519819 347188309 /nfs/dbraw/zinc/18/83/09/347188309.db2.gz LNRNFIPRMNFGIV-WBAXXEDZSA-N 2 2 283.419 3.226 20 30 CGEDLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(C#N)c1 ZINC000594519819 347188312 /nfs/dbraw/zinc/18/83/12/347188312.db2.gz LNRNFIPRMNFGIV-WBAXXEDZSA-N 2 2 283.419 3.226 20 30 CGEDLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595057321 347272302 /nfs/dbraw/zinc/27/23/02/347272302.db2.gz XBAVYUVINYHXAM-IAGOWNOFSA-N 2 2 285.435 3.472 20 30 CGEDLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595057321 347272304 /nfs/dbraw/zinc/27/23/04/347272304.db2.gz XBAVYUVINYHXAM-IAGOWNOFSA-N 2 2 285.435 3.472 20 30 CGEDLP CCc1ccc([C@@H](C[NH2+]C[C@H](C)CCC#N)[NH+](C)C)cc1 ZINC000602505184 347972205 /nfs/dbraw/zinc/97/22/05/347972205.db2.gz SZKLGWWOMWZUPR-CRAIPNDOSA-N 2 2 287.451 3.381 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000602543378 347979287 /nfs/dbraw/zinc/97/92/87/347979287.db2.gz CGMAYHKBBIIQPN-JFIYKMOQSA-N 2 2 285.435 3.351 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000602543378 347979291 /nfs/dbraw/zinc/97/92/91/347979291.db2.gz CGMAYHKBBIIQPN-JFIYKMOQSA-N 2 2 285.435 3.351 20 30 CGEDLP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390928 348444387 /nfs/dbraw/zinc/44/43/87/348444387.db2.gz LLGYSDGQZRJFIV-WMZOPIPTSA-N 2 2 283.419 3.010 20 30 CGEDLP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390928 348444389 /nfs/dbraw/zinc/44/43/89/348444389.db2.gz LLGYSDGQZRJFIV-WMZOPIPTSA-N 2 2 283.419 3.010 20 30 CGEDLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611394311 348445853 /nfs/dbraw/zinc/44/58/53/348445853.db2.gz CATYYYUQULWBRE-IBGZPJMESA-N 2 2 291.398 3.471 20 30 CGEDLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000618286816 349067039 /nfs/dbraw/zinc/06/70/39/349067039.db2.gz LOYNSTRQTOBXIU-HNNXBMFYSA-N 2 2 265.445 3.169 20 30 CGEDLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000618286816 349067042 /nfs/dbraw/zinc/06/70/42/349067042.db2.gz LOYNSTRQTOBXIU-HNNXBMFYSA-N 2 2 265.445 3.169 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2sc(C)nc2C)CC1 ZINC000177915878 189078846 /nfs/dbraw/zinc/07/88/46/189078846.db2.gz FAAIJMRWSINGFV-CYBMUJFWSA-N 2 2 293.480 3.451 20 30 CGEDLP CCC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000182005366 189311822 /nfs/dbraw/zinc/31/18/22/189311822.db2.gz YCJSWSGPYCBZEJ-UHFFFAOYSA-N 2 2 297.446 3.302 20 30 CGEDLP CC(C)[NH+](CCC[NH2+]Cc1ccc(C#N)cc1F)C(C)C ZINC000269442054 378221902 /nfs/dbraw/zinc/22/19/02/378221902.db2.gz SVXWMIFZIIUUCH-UHFFFAOYSA-N 2 2 291.414 3.296 20 30 CGEDLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271958974 378529883 /nfs/dbraw/zinc/52/98/83/378529883.db2.gz QWJKRFIXJWYJBU-CYBMUJFWSA-N 2 2 283.350 3.294 20 30 CGEDLP C#CCCCC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000150739083 392481938 /nfs/dbraw/zinc/48/19/38/392481938.db2.gz SYPHUBKNZSAGOX-AEFFLSMTSA-N 2 2 270.420 3.215 20 30 CGEDLP C#CCCCC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000150739083 392481942 /nfs/dbraw/zinc/48/19/42/392481942.db2.gz SYPHUBKNZSAGOX-AEFFLSMTSA-N 2 2 270.420 3.215 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(F)c2F)CC1 ZINC000183260371 392753874 /nfs/dbraw/zinc/75/38/74/392753874.db2.gz BUWMTINEOCEKGI-LBPRGKRZSA-N 2 2 280.362 3.266 20 30 CGEDLP CC[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(C#N)cc1 ZINC000423404243 393665023 /nfs/dbraw/zinc/66/50/23/393665023.db2.gz ZOLZBPAEKFUJNZ-DLBZAZTESA-N 2 2 285.435 3.377 20 30 CGEDLP C=CCOCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000684204850 543972026 /nfs/dbraw/zinc/97/20/26/543972026.db2.gz HGFJKCVIVLRSIA-OAHLLOKOSA-N 2 2 285.391 3.116 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000189325618 264289657 /nfs/dbraw/zinc/28/96/57/264289657.db2.gz BFHDTBAUXQOOKO-TZMCWYRMSA-N 2 2 290.373 3.348 20 30 CGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000366822130 265015691 /nfs/dbraw/zinc/01/56/91/265015691.db2.gz IZVHXTHRSKLKDV-WBVHZDCISA-N 2 2 283.419 3.105 20 30 CGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000366822130 265015695 /nfs/dbraw/zinc/01/56/95/265015695.db2.gz IZVHXTHRSKLKDV-WBVHZDCISA-N 2 2 283.419 3.105 20 30 CGEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)CCC2 ZINC000331762731 274824184 /nfs/dbraw/zinc/82/41/84/274824184.db2.gz FLJKKIZJENYOCO-YOEHRIQHSA-N 2 2 294.402 3.291 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000186406808 276895201 /nfs/dbraw/zinc/89/52/01/276895201.db2.gz WCDXMAJXJZFNJJ-GOSISDBHSA-N 2 2 285.435 3.173 20 30 CGEDLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000271809759 328197343 /nfs/dbraw/zinc/19/73/43/328197343.db2.gz ANGFLCSCZNBBGO-OAHLLOKOSA-N 2 2 295.386 3.186 20 30 CGEDLP N#Cc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)s1 ZINC000563969585 322017317 /nfs/dbraw/zinc/01/73/17/322017317.db2.gz ZXTOHPKLEQOGNG-UHFFFAOYSA-N 2 2 298.415 3.091 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000184094449 329256069 /nfs/dbraw/zinc/25/60/69/329256069.db2.gz REHCNGRZRVTYIH-CQSZACIVSA-N 2 2 263.429 3.065 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000423439981 330201570 /nfs/dbraw/zinc/20/15/70/330201570.db2.gz VQRFSTCMHCTJGC-QZTJIDSGSA-N 2 2 270.420 3.208 20 30 CGEDLP C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000424337218 330343630 /nfs/dbraw/zinc/34/36/30/330343630.db2.gz ZFIYBUPNOPAUKL-IJEWVQPXSA-N 2 2 280.375 3.215 20 30 CGEDLP C=CCC[C@@H]([NH2+]CC1([NH+](C)C)Cc2ccccc2C1)C1CC1 ZINC000438998321 330732087 /nfs/dbraw/zinc/73/20/87/330732087.db2.gz IFCQGJQDJCNJHN-LJQANCHMSA-N 2 2 298.474 3.420 20 30 CGEDLP C=C(C)CC[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107720 331054328 /nfs/dbraw/zinc/05/43/28/331054328.db2.gz BZBKOHAFHMVSCP-UHFFFAOYSA-N 2 2 278.362 3.301 20 30 CGEDLP C=C(C)CC[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107720 331054329 /nfs/dbraw/zinc/05/43/29/331054329.db2.gz BZBKOHAFHMVSCP-UHFFFAOYSA-N 2 2 278.362 3.301 20 30 CGEDLP C#C[C@H](CC)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000491618345 332244736 /nfs/dbraw/zinc/24/47/36/332244736.db2.gz CDMXBGPWJSOTPY-MRXNPFEDSA-N 2 2 290.838 3.306 20 30 CGEDLP C[C@H](C[NH2+]CC(C)(C)CCC#N)[N@@H+]1CCC[C@@H](C)C1 ZINC000246167872 334237875 /nfs/dbraw/zinc/23/78/75/334237875.db2.gz MJKZQIQAEOAQLB-HUUCEWRRSA-N 2 2 265.445 3.026 20 30 CGEDLP C[C@H](C[NH2+]CC(C)(C)CCC#N)[N@H+]1CCC[C@@H](C)C1 ZINC000246167872 334237877 /nfs/dbraw/zinc/23/78/77/334237877.db2.gz MJKZQIQAEOAQLB-HUUCEWRRSA-N 2 2 265.445 3.026 20 30 CGEDLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358561147 529000979 /nfs/dbraw/zinc/00/09/79/529000979.db2.gz FWPRZARTUKTRBB-CYBMUJFWSA-N 2 2 289.398 3.221 20 30 CGEDLP CCCCCCCC[C@H]([NH3+])c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000900009794 620745020 /nfs/dbraw/zinc/74/50/20/620745020.db2.gz KFVSMIYBPVKVQJ-STQMWFEESA-N 2 2 280.416 3.245 20 30 CGEDLP CCCCCCCC[C@@H]([NH3+])c1nc([C@H]2CCC[NH2+]2)no1 ZINC000900009791 620745458 /nfs/dbraw/zinc/74/54/58/620745458.db2.gz KFVSMIYBPVKVQJ-CHWSQXEVSA-N 2 2 280.416 3.245 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(OCC)c2)CC1 ZINC000765834194 627274187 /nfs/dbraw/zinc/27/41/87/627274187.db2.gz QPCCDOSKTGITPG-HNNXBMFYSA-N 2 2 288.435 3.386 20 30 CGEDLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000774207050 627963605 /nfs/dbraw/zinc/96/36/05/627963605.db2.gz FQMNHLUADMHLSI-RHSMWYFYSA-N 2 2 271.408 3.083 20 30 CGEDLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000774207050 627963608 /nfs/dbraw/zinc/96/36/08/627963608.db2.gz FQMNHLUADMHLSI-RHSMWYFYSA-N 2 2 271.408 3.083 20 30 CGEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1cccc(Cl)c1 ZINC000776183039 628177311 /nfs/dbraw/zinc/17/73/11/628177311.db2.gz HKNPIUVZAODNCP-UHFFFAOYSA-N 2 2 274.755 3.247 20 30 CGEDLP C#CC[N@@H+](C)CCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000814929717 631686330 /nfs/dbraw/zinc/68/63/30/631686330.db2.gz PDCDDOYISSRQNJ-UHFFFAOYSA-N 2 2 288.439 3.090 20 30 CGEDLP C#CC[N@H+](C)CCCNc1cc(C(C)C)[nH+]c(C(C)C)n1 ZINC000814929717 631686335 /nfs/dbraw/zinc/68/63/35/631686335.db2.gz PDCDDOYISSRQNJ-UHFFFAOYSA-N 2 2 288.439 3.090 20 30 CGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000817941880 632240367 /nfs/dbraw/zinc/24/03/67/632240367.db2.gz STCOWUGESNEQTG-ZFWWWQNUSA-N 2 2 294.826 3.221 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CC1 ZINC000817942510 632241242 /nfs/dbraw/zinc/24/12/42/632241242.db2.gz PEJHVYTZEGTKRW-QZTJIDSGSA-N 2 2 287.451 3.087 20 30 CGEDLP C#CCCCCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000876930887 634931330 /nfs/dbraw/zinc/93/13/30/634931330.db2.gz GBGAYUOYMNXHQS-UHFFFAOYSA-N 2 2 285.435 3.224 20 30 CGEDLP C=CCC[C@H](Cc1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC000883166318 636562829 /nfs/dbraw/zinc/56/28/29/636562829.db2.gz XDPVGCUZYZJHRR-QGZVFWFLSA-N 2 2 269.392 3.050 20 30 CGEDLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCCC1(C#N)CCC1 ZINC000931621347 639180861 /nfs/dbraw/zinc/18/08/61/639180861.db2.gz KBFNGWPCUFMFKJ-HOTGVXAUSA-N 2 2 275.440 3.019 20 30 CGEDLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCCC1(C#N)CCC1 ZINC000931621347 639180864 /nfs/dbraw/zinc/18/08/64/639180864.db2.gz KBFNGWPCUFMFKJ-HOTGVXAUSA-N 2 2 275.440 3.019 20 30 CGEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCCC1(C#N)CCC1 ZINC000931621347 639180868 /nfs/dbraw/zinc/18/08/68/639180868.db2.gz KBFNGWPCUFMFKJ-HOTGVXAUSA-N 2 2 275.440 3.019 20 30 CGEDLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCCC1(C#N)CCC1 ZINC000931621347 639180870 /nfs/dbraw/zinc/18/08/70/639180870.db2.gz KBFNGWPCUFMFKJ-HOTGVXAUSA-N 2 2 275.440 3.019 20 30 CGEDLP CCCCCCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC000717569276 800204919 /nfs/dbraw/zinc/20/49/19/800204919.db2.gz QUIHVRJHWNUKLI-KRWDZBQOSA-N 2 2 282.472 3.191 20 30 CGEDLP CCCCCCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC000717569276 800204921 /nfs/dbraw/zinc/20/49/21/800204921.db2.gz QUIHVRJHWNUKLI-KRWDZBQOSA-N 2 2 282.472 3.191 20 30 CGEDLP C=CCC[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001256207445 806848576 /nfs/dbraw/zinc/84/85/76/806848576.db2.gz KFHUQHDGKXOQQK-UHFFFAOYSA-N 2 2 258.409 3.159 20 30 CGEDLP C=CCC[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001256207445 806848583 /nfs/dbraw/zinc/84/85/83/806848583.db2.gz KFHUQHDGKXOQQK-UHFFFAOYSA-N 2 2 258.409 3.159 20 30 CGEDLP CC(C)[Si](C#C[N@@H+]1CC[C@H]([NH3+])C1)(C(C)C)C(C)C ZINC001164281350 806927699 /nfs/dbraw/zinc/92/76/99/806927699.db2.gz ZTTLQJZSMCEMSU-HNNXBMFYSA-N 2 2 266.505 3.198 20 30 CGEDLP CC(C)[Si](C#C[N@H+]1CC[C@H]([NH3+])C1)(C(C)C)C(C)C ZINC001164281350 806927701 /nfs/dbraw/zinc/92/77/01/806927701.db2.gz ZTTLQJZSMCEMSU-HNNXBMFYSA-N 2 2 266.505 3.198 20 30 CGEDLP C#Cc1cc(Nc2ccccc2C[NH+](CC)CC)cc[nH+]1 ZINC001211985964 814963992 /nfs/dbraw/zinc/96/39/92/814963992.db2.gz DAOZNQWDLAEVKS-UHFFFAOYSA-N 2 2 279.387 3.070 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[NH2+]CC[NH2+]C(C)C ZINC001246007663 804097293 /nfs/dbraw/zinc/09/72/93/804097293.db2.gz FHWCYUSAXRODGS-QGZVFWFLSA-N 2 2 286.504 3.466 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@H+](CCC)[C@@H]1CC[NH2+]C1 ZINC001246053548 804104609 /nfs/dbraw/zinc/10/46/09/804104609.db2.gz SGDZOAWJLIIHEH-IAGOWNOFSA-N 2 2 284.488 3.172 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@@H+](CCC)[C@@H]1CC[NH2+]C1 ZINC001246053548 804104617 /nfs/dbraw/zinc/10/46/17/804104617.db2.gz SGDZOAWJLIIHEH-IAGOWNOFSA-N 2 2 284.488 3.172 20 30 CGEDLP CCCCCCCC[C@H](CC)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246092258 804123918 /nfs/dbraw/zinc/12/39/18/804123918.db2.gz HJDXRMQDADMPFV-HOTGVXAUSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCCCC[C@@H](C)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246238520 804230607 /nfs/dbraw/zinc/23/06/07/804230607.db2.gz FXJBKFWSYABKRO-PMPSAXMXSA-N 2 2 270.461 3.092 20 30 CGEDLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCc3ccc(C#N)cc3C2)CC[NH2+]1 ZINC001246594804 804435238 /nfs/dbraw/zinc/43/52/38/804435238.db2.gz RUNUBWGHPWPSMK-MOPGFXCFSA-N 2 2 297.446 3.227 20 30 CGEDLP CCCC[C@@H]1C[C@@H]([N@H+]2CCc3ccc(C#N)cc3C2)CC[NH2+]1 ZINC001246594804 804435241 /nfs/dbraw/zinc/43/52/41/804435241.db2.gz RUNUBWGHPWPSMK-MOPGFXCFSA-N 2 2 297.446 3.227 20 30 CGEDLP CCCCCCC[C@H](CCC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]21 ZINC001246918479 804600056 /nfs/dbraw/zinc/60/00/56/804600056.db2.gz KPPFJVQYXUJPKK-OWCLPIDISA-N 2 2 252.446 3.419 20 30 CGEDLP CCCCCCC[C@H](CCC)[N@H+]1C[C@H]2C[NH2+]C[C@H]21 ZINC001246918479 804600062 /nfs/dbraw/zinc/60/00/62/804600062.db2.gz KPPFJVQYXUJPKK-OWCLPIDISA-N 2 2 252.446 3.419 20 30 CGEDLP C[C@@H](CCCC#N)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488684 808349288 /nfs/dbraw/zinc/34/92/88/808349288.db2.gz VQVQFTCPRRRZJM-JYJNAYRXSA-N 2 2 286.423 3.240 20 30 CGEDLP C[C@@H](CCCC#N)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001172492865 808352497 /nfs/dbraw/zinc/35/24/97/808352497.db2.gz PEGYCWUSSNAZHC-ZDUSSCGKSA-N 2 2 268.364 3.264 20 30 CGEDLP C=CCOC1CCC([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)CC1 ZINC001173316284 808609197 /nfs/dbraw/zinc/60/91/97/808609197.db2.gz DOPGGBFJCFPXSG-CGZBRXJRSA-N 2 2 294.483 3.210 20 30 CGEDLP C=CCOC1CCC([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC001173316284 808609198 /nfs/dbraw/zinc/60/91/98/808609198.db2.gz DOPGGBFJCFPXSG-CGZBRXJRSA-N 2 2 294.483 3.210 20 30 CGEDLP C=CCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001209160790 813951669 /nfs/dbraw/zinc/95/16/69/813951669.db2.gz CCUUNVHCGNMYRG-HUUCEWRRSA-N 2 2 291.464 3.006 20 30 CGEDLP C=CCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001209160790 813951673 /nfs/dbraw/zinc/95/16/73/813951673.db2.gz CCUUNVHCGNMYRG-HUUCEWRRSA-N 2 2 291.464 3.006 20 30 CGEDLP C=CCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001209160790 813951678 /nfs/dbraw/zinc/95/16/78/813951678.db2.gz CCUUNVHCGNMYRG-HUUCEWRRSA-N 2 2 291.464 3.006 20 30 CGEDLP C=CCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001209160790 813951680 /nfs/dbraw/zinc/95/16/80/813951680.db2.gz CCUUNVHCGNMYRG-HUUCEWRRSA-N 2 2 291.464 3.006 20 30 CGEDLP CCCCCCCCCC[N@@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001235242437 819046248 /nfs/dbraw/zinc/04/62/48/819046248.db2.gz XSMQEZQCOVWDPI-IRXDYDNUSA-N 2 2 282.472 3.190 20 30 CGEDLP CCCCCCCCCC[N@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001235242437 819046252 /nfs/dbraw/zinc/04/62/52/819046252.db2.gz XSMQEZQCOVWDPI-IRXDYDNUSA-N 2 2 282.472 3.190 20 30 CGEDLP C=C(C)COc1ccccc1C[N@@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217380 819381824 /nfs/dbraw/zinc/38/18/24/819381824.db2.gz ORXMGSOSQUVAAX-SJORKVTESA-N 2 2 288.435 3.343 20 30 CGEDLP C=C(C)COc1ccccc1C[N@H+](C)[C@H]1CCCC[C@H]1[NH3+] ZINC001236217380 819381829 /nfs/dbraw/zinc/38/18/29/819381829.db2.gz ORXMGSOSQUVAAX-SJORKVTESA-N 2 2 288.435 3.343 20 30 CGEDLP CC(C)[N@H+](Cc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001236471260 819491408 /nfs/dbraw/zinc/49/14/08/819491408.db2.gz ZHHKMWFPMGSYLH-OAHLLOKOSA-N 2 2 291.826 3.174 20 30 CGEDLP CC(C)[N@@H+](Cc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001236471260 819491413 /nfs/dbraw/zinc/49/14/13/819491413.db2.gz ZHHKMWFPMGSYLH-OAHLLOKOSA-N 2 2 291.826 3.174 20 30 CGEDLP Cc1[nH+]cn(C2CCC(CC#N)CC2)c1CSCC[NH3+] ZINC001173330104 928228268 /nfs/dbraw/zinc/22/82/68/928228268.db2.gz TVJXRXVXOGGKQQ-UHFFFAOYSA-N 2 2 292.452 3.028 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH+]2CCCCC2)C1 ZINC001461029907 937560087 /nfs/dbraw/zinc/56/00/87/937560087.db2.gz JLDHOXWEUKVASE-OAGGEKHMSA-N 2 2 250.430 3.195 20 30 CGEDLP CC(C)CC[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001332611642 935478783 /nfs/dbraw/zinc/47/87/83/935478783.db2.gz VJPZKOXWVOREHA-UHFFFAOYSA-N 2 2 285.435 3.158 20 30 CGEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+](CC2(C#N)CC2)CC1 ZINC000336521783 346498277 /nfs/dbraw/zinc/49/82/77/346498277.db2.gz XPLVDTHKSOSUKB-UHFFFAOYSA-N 2 2 294.402 3.285 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[N@@H+]1C1CC1 ZINC000594497164 347179147 /nfs/dbraw/zinc/17/91/47/347179147.db2.gz DDOOIAWKKYYRPX-RHSMWYFYSA-N 2 2 297.446 3.203 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[N@H+]1C1CC1 ZINC000594497164 347179150 /nfs/dbraw/zinc/17/91/50/347179150.db2.gz DDOOIAWKKYYRPX-RHSMWYFYSA-N 2 2 297.446 3.203 20 30 CGEDLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000594519770 347188234 /nfs/dbraw/zinc/18/82/34/347188234.db2.gz LIXUSJAEVQDWJS-WBAXXEDZSA-N 2 2 283.419 3.226 20 30 CGEDLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000594519770 347188238 /nfs/dbraw/zinc/18/82/38/347188238.db2.gz LIXUSJAEVQDWJS-WBAXXEDZSA-N 2 2 283.419 3.226 20 30 CGEDLP CC1(C)C[C@@]1(C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594995374 347251811 /nfs/dbraw/zinc/25/18/11/347251811.db2.gz IYYJYIDPLRMPOR-LJQANCHMSA-N 2 2 297.446 3.301 20 30 CGEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614178980 348656248 /nfs/dbraw/zinc/65/62/48/348656248.db2.gz XMONKLSBFFCSQY-UHFFFAOYSA-N 2 2 296.418 3.206 20 30 CGEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614178980 348656250 /nfs/dbraw/zinc/65/62/50/348656250.db2.gz XMONKLSBFFCSQY-UHFFFAOYSA-N 2 2 296.418 3.206 20 30 CGEDLP C=CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000271391174 191112327 /nfs/dbraw/zinc/11/23/27/191112327.db2.gz JWKSIZMVVNQYNQ-UHFFFAOYSA-N 2 2 253.349 3.023 20 30 CGEDLP C=CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000271391174 191112329 /nfs/dbraw/zinc/11/23/29/191112329.db2.gz JWKSIZMVVNQYNQ-UHFFFAOYSA-N 2 2 253.349 3.023 20 30 CGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)C(C)C ZINC000634678054 351564081 /nfs/dbraw/zinc/56/40/81/351564081.db2.gz HIGZRNQNDWNBTQ-IRXDYDNUSA-N 2 2 294.483 3.232 20 30 CGEDLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000181557185 189300522 /nfs/dbraw/zinc/30/05/22/189300522.db2.gz WWXOQZNTCDTRAL-INIZCTEOSA-N 2 2 293.414 3.341 20 30 CGEDLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000181557185 189300523 /nfs/dbraw/zinc/30/05/23/189300523.db2.gz WWXOQZNTCDTRAL-INIZCTEOSA-N 2 2 293.414 3.341 20 30 CGEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(C#N)cc1 ZINC000182682977 189331436 /nfs/dbraw/zinc/33/14/36/189331436.db2.gz XHZMZGBUOCCOIS-MRXNPFEDSA-N 2 2 293.414 3.168 20 30 CGEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1ccc(C#N)cc1 ZINC000182682977 189331437 /nfs/dbraw/zinc/33/14/37/189331437.db2.gz XHZMZGBUOCCOIS-MRXNPFEDSA-N 2 2 293.414 3.168 20 30 CGEDLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(C#N)cc1F ZINC000423177620 372006951 /nfs/dbraw/zinc/00/69/51/372006951.db2.gz JDUPVCDRXREJHC-GFCCVEGCSA-N 2 2 275.371 3.010 20 30 CGEDLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccc(C#N)cc1 ZINC000423446300 372063837 /nfs/dbraw/zinc/06/38/37/372063837.db2.gz ZANBYGHACYENRG-AUUYWEPGSA-N 2 2 291.398 3.096 20 30 CGEDLP N#CCCC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000433026855 372578672 /nfs/dbraw/zinc/57/86/72/372578672.db2.gz IFQIIICESLMDCN-QGZVFWFLSA-N 2 2 282.391 3.298 20 30 CGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000447562619 373453623 /nfs/dbraw/zinc/45/36/23/373453623.db2.gz MOLYVMPCZIIYGY-JFRXWTBNSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000447562619 373453630 /nfs/dbraw/zinc/45/36/30/373453630.db2.gz MOLYVMPCZIIYGY-JFRXWTBNSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000449082798 373662027 /nfs/dbraw/zinc/66/20/27/373662027.db2.gz PXCDTZZZNPDDQT-JUVOFCAFSA-N 2 2 277.456 3.169 20 30 CGEDLP C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000449082798 373662030 /nfs/dbraw/zinc/66/20/30/373662030.db2.gz PXCDTZZZNPDDQT-JUVOFCAFSA-N 2 2 277.456 3.169 20 30 CGEDLP C=C(C)[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000187779318 375093696 /nfs/dbraw/zinc/09/36/96/375093696.db2.gz HTGRPHDVXVQKCW-INIZCTEOSA-N 2 2 291.345 3.458 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C(C)C)C2)CC1 ZINC000474710773 375126971 /nfs/dbraw/zinc/12/69/71/375126971.db2.gz QLLBYGKLOQDULX-DOTOQJQBSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000156307352 542127997 /nfs/dbraw/zinc/12/79/97/542127997.db2.gz QHAMDFAMDQWGFD-ZFWWWQNUSA-N 2 2 271.408 3.376 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000248761987 377397770 /nfs/dbraw/zinc/39/77/70/377397770.db2.gz GQYANUQUANTYLV-BHIYHBOVSA-N 2 2 297.446 3.495 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000248780962 377400497 /nfs/dbraw/zinc/40/04/97/377400497.db2.gz HYXNPJMMHNTTJM-CEXWTWQISA-N 2 2 297.446 3.323 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000248780962 377400506 /nfs/dbraw/zinc/40/05/06/377400506.db2.gz HYXNPJMMHNTTJM-CEXWTWQISA-N 2 2 297.446 3.323 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000248800101 377402262 /nfs/dbraw/zinc/40/22/62/377402262.db2.gz JOVBJMINIJTDKI-BHIYHBOVSA-N 2 2 297.446 3.495 20 30 CGEDLP C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@]1(C)CC[NH2+]C1 ZINC000261758190 377849740 /nfs/dbraw/zinc/84/97/40/377849740.db2.gz KZWUPUZOEVJLMK-AWEZNQCLSA-N 2 2 284.856 3.389 20 30 CGEDLP C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@]1(C)CC[NH2+]C1 ZINC000261758190 377849745 /nfs/dbraw/zinc/84/97/45/377849745.db2.gz KZWUPUZOEVJLMK-AWEZNQCLSA-N 2 2 284.856 3.389 20 30 CGEDLP N#Cc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)o1 ZINC000349424126 379279103 /nfs/dbraw/zinc/27/91/03/379279103.db2.gz ZDULBWPIUHZKJG-UHFFFAOYSA-N 2 2 298.390 3.040 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccc(C)cc2O)CC1 ZINC000280085026 379600346 /nfs/dbraw/zinc/60/03/46/379600346.db2.gz LZZRCKRGRKHIFM-QGZVFWFLSA-N 2 2 288.435 3.392 20 30 CGEDLP C=C(C)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389846132 379904026 /nfs/dbraw/zinc/90/40/26/379904026.db2.gz QJZSENBOJSTAKE-NVXWUHKLSA-N 2 2 258.409 3.063 20 30 CGEDLP C=C(C)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389846132 379904031 /nfs/dbraw/zinc/90/40/31/379904031.db2.gz QJZSENBOJSTAKE-NVXWUHKLSA-N 2 2 258.409 3.063 20 30 CGEDLP C[NH+](C)C1(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000417352839 380603927 /nfs/dbraw/zinc/60/39/27/380603927.db2.gz HGVUPOAFIAMAOX-QGZVFWFLSA-N 2 2 283.419 3.010 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000358288548 381300251 /nfs/dbraw/zinc/30/02/51/381300251.db2.gz DOUXYMQHYPTYKR-BFYDXBDKSA-N 2 2 277.456 3.311 20 30 CGEDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360828765 381628566 /nfs/dbraw/zinc/62/85/66/381628566.db2.gz AINDDMNXSXMFDX-AEFFLSMTSA-N 2 2 283.419 3.010 20 30 CGEDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360828765 381628569 /nfs/dbraw/zinc/62/85/69/381628569.db2.gz AINDDMNXSXMFDX-AEFFLSMTSA-N 2 2 283.419 3.010 20 30 CGEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365677036 382292123 /nfs/dbraw/zinc/29/21/23/382292123.db2.gz KYZWSUPMBZLZIZ-KBXCAEBGSA-N 2 2 293.370 3.168 20 30 CGEDLP CC#CCC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000360493622 393567913 /nfs/dbraw/zinc/56/79/13/393567913.db2.gz YAUZXKSAPUFDRJ-INIZCTEOSA-N 2 2 281.403 3.223 20 30 CGEDLP CC#CCC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000360493622 393567917 /nfs/dbraw/zinc/56/79/17/393567917.db2.gz YAUZXKSAPUFDRJ-INIZCTEOSA-N 2 2 281.403 3.223 20 30 CGEDLP C=C[C@@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806766 543466664 /nfs/dbraw/zinc/46/66/64/543466664.db2.gz NFOCSBWGIOLNEK-GDBMZVCRSA-N 2 2 258.409 3.204 20 30 CGEDLP C=C[C@@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677806766 543466667 /nfs/dbraw/zinc/46/66/67/543466667.db2.gz NFOCSBWGIOLNEK-GDBMZVCRSA-N 2 2 258.409 3.204 20 30 CGEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000658007896 419492190 /nfs/dbraw/zinc/49/21/90/419492190.db2.gz YGUWSUQQGZUSRM-GDBMZVCRSA-N 2 2 273.424 3.444 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000657902811 419428025 /nfs/dbraw/zinc/42/80/25/419428025.db2.gz AFPOVGRMVJPEND-JHNDHUHGSA-N 2 2 262.441 3.194 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000657902811 419428035 /nfs/dbraw/zinc/42/80/35/419428035.db2.gz AFPOVGRMVJPEND-JHNDHUHGSA-N 2 2 262.441 3.194 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000658007899 419492279 /nfs/dbraw/zinc/49/22/79/419492279.db2.gz YGUWSUQQGZUSRM-ZBFHGGJFSA-N 2 2 273.424 3.444 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000185797909 262071539 /nfs/dbraw/zinc/07/15/39/262071539.db2.gz GFHQTAHPFNLXGO-UKRRQHHQSA-N 2 2 298.365 3.183 20 30 CGEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530214158 270195864 /nfs/dbraw/zinc/19/58/64/270195864.db2.gz BMNKDBCBIMYZDX-ZWKOTPCHSA-N 2 2 295.430 3.200 20 30 CGEDLP C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000424337219 330343643 /nfs/dbraw/zinc/34/36/43/330343643.db2.gz ZFIYBUPNOPAUKL-OFQRWUPVSA-N 2 2 280.375 3.215 20 30 CGEDLP N#C[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000442892834 330790940 /nfs/dbraw/zinc/79/09/40/330790940.db2.gz WKJIRGVZVLURBW-DLBZAZTESA-N 2 2 289.467 3.315 20 30 CGEDLP C=C(C)CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000164425330 331228726 /nfs/dbraw/zinc/22/87/26/331228726.db2.gz UQZIQZKMGZPKEE-KRWDZBQOSA-N 2 2 258.409 3.207 20 30 CGEDLP C=C(C)CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000164425330 331228727 /nfs/dbraw/zinc/22/87/27/331228727.db2.gz UQZIQZKMGZPKEE-KRWDZBQOSA-N 2 2 258.409 3.207 20 30 CGEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccco1 ZINC000353533972 527488760 /nfs/dbraw/zinc/48/87/60/527488760.db2.gz YKVNZIPDBIWYRH-KKUMJFAQSA-N 2 2 262.397 3.359 20 30 CGEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccco1 ZINC000353533972 527488766 /nfs/dbraw/zinc/48/87/66/527488766.db2.gz YKVNZIPDBIWYRH-KKUMJFAQSA-N 2 2 262.397 3.359 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000924983597 619475423 /nfs/dbraw/zinc/47/54/23/619475423.db2.gz GYWIUHXXWCQFRZ-JKSUJKDBSA-N 2 2 264.457 3.441 20 30 CGEDLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000902797764 621453390 /nfs/dbraw/zinc/45/33/90/621453390.db2.gz YRCPUUFBMGURBB-QZTJIDSGSA-N 2 2 283.419 3.083 20 30 CGEDLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000902797764 621453392 /nfs/dbraw/zinc/45/33/92/621453392.db2.gz YRCPUUFBMGURBB-QZTJIDSGSA-N 2 2 283.419 3.083 20 30 CGEDLP CC(C)[NH+](CCC[NH2+][C@@H](C)c1cc(C#N)ccn1)C(C)C ZINC000902831302 621464929 /nfs/dbraw/zinc/46/49/29/621464929.db2.gz YCZSOJMVHLTDHY-HNNXBMFYSA-N 2 2 288.439 3.113 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(Cl)c(C)c2)CC1 ZINC000760669671 626984244 /nfs/dbraw/zinc/98/42/44/626984244.db2.gz LNLIXIOKOHZYTC-UHFFFAOYSA-N 2 2 293.842 3.174 20 30 CGEDLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000775396060 628090238 /nfs/dbraw/zinc/09/02/38/628090238.db2.gz WYOBDWVKNJXVPX-KSSFIOAISA-N 2 2 283.419 3.010 20 30 CGEDLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000775396060 628090241 /nfs/dbraw/zinc/09/02/41/628090241.db2.gz WYOBDWVKNJXVPX-KSSFIOAISA-N 2 2 283.419 3.010 20 30 CGEDLP C#C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000847019551 636312164 /nfs/dbraw/zinc/31/21/64/636312164.db2.gz RIJHSKHMPLCIES-INIZCTEOSA-N 2 2 279.387 3.026 20 30 CGEDLP C#C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000847019551 636312171 /nfs/dbraw/zinc/31/21/71/636312171.db2.gz RIJHSKHMPLCIES-INIZCTEOSA-N 2 2 279.387 3.026 20 30 CGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000854231497 638029904 /nfs/dbraw/zinc/02/99/04/638029904.db2.gz FJNLDDAUHSMNIC-STQMWFEESA-N 2 2 282.815 3.076 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[NH2+]CC1C[NH+](C)C1 ZINC001252986988 806148000 /nfs/dbraw/zinc/14/80/00/806148000.db2.gz PEOCLXBKBXAWEL-QGZVFWFLSA-N 2 2 284.488 3.029 20 30 CGEDLP C[C@@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)[NH+]1CCCCC1 ZINC000315608280 799237077 /nfs/dbraw/zinc/23/70/77/799237077.db2.gz IGDBPPABOAIDTM-IVMQYODDSA-N 2 2 297.446 3.074 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000328273228 799251443 /nfs/dbraw/zinc/25/14/43/799251443.db2.gz NYGOERAUKWURGL-OAHLLOKOSA-N 2 2 296.414 3.151 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000328273228 799251446 /nfs/dbraw/zinc/25/14/46/799251446.db2.gz NYGOERAUKWURGL-OAHLLOKOSA-N 2 2 296.414 3.151 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001245988846 804096012 /nfs/dbraw/zinc/09/60/12/804096012.db2.gz XIENJAFJLUGFSQ-IRXDYDNUSA-N 2 2 296.499 3.220 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001246000475 804097941 /nfs/dbraw/zinc/09/79/41/804097941.db2.gz OSJHPUWJVXWFAR-WNRNVDISSA-N 2 2 296.499 3.361 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246024631 804100580 /nfs/dbraw/zinc/10/05/80/804100580.db2.gz PHJFEDXNLZOTMD-ZWKOTPCHSA-N 2 2 294.483 3.092 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001246024631 804100584 /nfs/dbraw/zinc/10/05/84/804100584.db2.gz PHJFEDXNLZOTMD-ZWKOTPCHSA-N 2 2 294.483 3.092 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246028129 804101125 /nfs/dbraw/zinc/10/11/25/804101125.db2.gz ZMKKSHRGFPXCGQ-QZTJIDSGSA-N 2 2 294.483 3.092 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246028129 804101129 /nfs/dbraw/zinc/10/11/29/804101129.db2.gz ZMKKSHRGFPXCGQ-QZTJIDSGSA-N 2 2 294.483 3.092 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001246065529 804106594 /nfs/dbraw/zinc/10/65/94/804106594.db2.gz PPQWNMXXRWNXTN-ZWKOTPCHSA-N 2 2 296.499 3.314 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001246065529 804106599 /nfs/dbraw/zinc/10/65/99/804106599.db2.gz PPQWNMXXRWNXTN-ZWKOTPCHSA-N 2 2 296.499 3.314 20 30 CGEDLP CCCCCCC[C@@H](CCC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246088107 804120242 /nfs/dbraw/zinc/12/02/42/804120242.db2.gz JOEUBMWMZHPADE-HZPDHXFCSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCCCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246090761 804122050 /nfs/dbraw/zinc/12/20/50/804122050.db2.gz ZAGXLWSFOQWIHW-IAGOWNOFSA-N 2 2 284.488 3.484 20 30 CGEDLP CCCCCCCC[C@@H](CC)[NH2+][C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001246152260 804171029 /nfs/dbraw/zinc/17/10/29/804171029.db2.gz MGFIDGPZBBCDKQ-NCOADZHNSA-N 2 2 282.472 3.235 20 30 CGEDLP CCCCCCCCCC[NH2+]C1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246214913 804212115 /nfs/dbraw/zinc/21/21/15/804212115.db2.gz WTRNSCYNBPNFAF-ALOPSCKCSA-N 2 2 282.472 3.236 20 30 CGEDLP CCCC[C@@H]1C[C@H]([N@@H+](CCC#N)CCCC)CC[NH2+]1 ZINC001246770258 804503175 /nfs/dbraw/zinc/50/31/75/804503175.db2.gz OWITWZFSUSOWNA-HZPDHXFCSA-N 2 2 265.445 3.313 20 30 CGEDLP CCCC[C@@H]1C[C@H]([N@H+](CCC#N)CCCC)CC[NH2+]1 ZINC001246770258 804503179 /nfs/dbraw/zinc/50/31/79/804503179.db2.gz OWITWZFSUSOWNA-HZPDHXFCSA-N 2 2 265.445 3.313 20 30 CGEDLP CCCCCCC[C@H](C)[N@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001246927962 804604867 /nfs/dbraw/zinc/60/48/67/804604867.db2.gz IWIRZUMWEDOSDH-HOTGVXAUSA-N 2 2 270.461 3.046 20 30 CGEDLP CCCCCCC[C@H](C)[N@@H+](CCOC)[C@H]1CC[NH2+]C1 ZINC001246927962 804604868 /nfs/dbraw/zinc/60/48/68/804604868.db2.gz IWIRZUMWEDOSDH-HOTGVXAUSA-N 2 2 270.461 3.046 20 30 CGEDLP CCCCCCC[C@H](CC)[N@@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001246991040 804631806 /nfs/dbraw/zinc/63/18/06/804631806.db2.gz YDUVKOKAJXEBSE-DLBZAZTESA-N 2 2 282.472 3.190 20 30 CGEDLP CCCCCCC[C@H](CC)[N@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001246991040 804631810 /nfs/dbraw/zinc/63/18/10/804631810.db2.gz YDUVKOKAJXEBSE-DLBZAZTESA-N 2 2 282.472 3.190 20 30 CGEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001171192779 808005680 /nfs/dbraw/zinc/00/56/80/808005680.db2.gz AZNPINRHMFLHER-QAPCUYQASA-N 2 2 299.462 3.199 20 30 CGEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001171192779 808005685 /nfs/dbraw/zinc/00/56/85/808005685.db2.gz AZNPINRHMFLHER-QAPCUYQASA-N 2 2 299.462 3.199 20 30 CGEDLP C=CCCCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001209440670 814040996 /nfs/dbraw/zinc/04/09/96/814040996.db2.gz NSNWHXHNAZZNMQ-HOTGVXAUSA-N 2 2 250.430 3.149 20 30 CGEDLP C=CCCCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001209440670 814041004 /nfs/dbraw/zinc/04/10/04/814041004.db2.gz NSNWHXHNAZZNMQ-HOTGVXAUSA-N 2 2 250.430 3.149 20 30 CGEDLP C=CCCCCCC[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001209440670 814041012 /nfs/dbraw/zinc/04/10/12/814041012.db2.gz NSNWHXHNAZZNMQ-HOTGVXAUSA-N 2 2 250.430 3.149 20 30 CGEDLP C=CCCCCCC[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001209440670 814041019 /nfs/dbraw/zinc/04/10/19/814041019.db2.gz NSNWHXHNAZZNMQ-HOTGVXAUSA-N 2 2 250.430 3.149 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC001236202271 819365801 /nfs/dbraw/zinc/36/58/01/819365801.db2.gz POXOLPZDVXOXFX-SJORKVTESA-N 2 2 262.441 3.363 20 30 CGEDLP C=C(C)[C@@H]1CC=C(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC001236202271 819365804 /nfs/dbraw/zinc/36/58/04/819365804.db2.gz POXOLPZDVXOXFX-SJORKVTESA-N 2 2 262.441 3.363 20 30 CGEDLP C=CCOCC[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473897267 937828606 /nfs/dbraw/zinc/82/86/06/937828606.db2.gz JBPABKJHQPNKMG-OAHLLOKOSA-N 2 2 291.439 3.020 20 30 CGEDLP C=CCOCC[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001473897267 937828608 /nfs/dbraw/zinc/82/86/08/937828608.db2.gz JBPABKJHQPNKMG-OAHLLOKOSA-N 2 2 291.439 3.020 20 30 CGEDLP N#Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)s1 ZINC001580065828 962684607 /nfs/dbraw/zinc/68/46/07/962684607.db2.gz TWDONGHFUPPEJO-YOEHRIQHSA-N 2 2 297.427 3.203 20 30 CGEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc(C#N)c1 ZINC000594724237 347213660 /nfs/dbraw/zinc/21/36/60/347213660.db2.gz QFBJSQMWGKXORF-CJNGLKHVSA-N 2 2 271.408 3.082 20 30 CGEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cccc(C#N)c1 ZINC000594724237 347213664 /nfs/dbraw/zinc/21/36/64/347213664.db2.gz QFBJSQMWGKXORF-CJNGLKHVSA-N 2 2 271.408 3.082 20 30 CGEDLP CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000594978583 347248032 /nfs/dbraw/zinc/24/80/32/347248032.db2.gz FTDWEANJKZCJMZ-IBGZPJMESA-N 2 2 297.446 3.301 20 30 CGEDLP N#CC[C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000597178245 347545346 /nfs/dbraw/zinc/54/53/46/347545346.db2.gz WPMZSHPFGDPONC-CYBMUJFWSA-N 2 2 286.404 3.059 20 30 CGEDLP N#CC[C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000597178245 347545348 /nfs/dbraw/zinc/54/53/48/347545348.db2.gz WPMZSHPFGDPONC-CYBMUJFWSA-N 2 2 286.404 3.059 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000602506486 347972258 /nfs/dbraw/zinc/97/22/58/347972258.db2.gz XVNCKOQRVPCECF-WMZOPIPTSA-N 2 2 285.435 3.353 20 30 CGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]C1CCC(C#N)CC1)C(C)C ZINC000602510098 347973005 /nfs/dbraw/zinc/97/30/05/347973005.db2.gz JVFXRWBLCMMODB-ABHNRTSZSA-N 2 2 289.467 3.357 20 30 CGEDLP C=CCCC[C@H](C)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626088847 350258184 /nfs/dbraw/zinc/25/81/84/350258184.db2.gz QKWHMDLWYQHZCA-KRWDZBQOSA-N 2 2 294.483 3.308 20 30 CGEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1Cl ZINC000629396252 350688150 /nfs/dbraw/zinc/68/81/50/350688150.db2.gz JSAXGJHDGSFASW-GXTWGEPZSA-N 2 2 294.826 3.135 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CCC)c2cc(C)ccn2)CC1 ZINC000631579073 351075280 /nfs/dbraw/zinc/07/52/80/351075280.db2.gz BUXWLPPUJVZJLN-QGZVFWFLSA-N 2 2 287.451 3.471 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)cc2)CC1 ZINC000177913323 189079073 /nfs/dbraw/zinc/07/90/73/189079073.db2.gz PSGBKFKKPSPWDY-OAHLLOKOSA-N 2 2 258.409 3.296 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000179122740 189171086 /nfs/dbraw/zinc/17/10/86/189171086.db2.gz NBISXUGFBDYQOJ-GFCCVEGCSA-N 2 2 279.815 3.036 20 30 CGEDLP CC1([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000180055223 189234795 /nfs/dbraw/zinc/23/47/95/189234795.db2.gz YGNUHMPFYVGMTH-UHFFFAOYSA-N 2 2 283.419 3.055 20 30 CGEDLP CC[N@H+](CCCn1cc[nH+]c1)[C@H](C)c1ccc(C#N)cc1 ZINC000183166024 189348498 /nfs/dbraw/zinc/34/84/98/189348498.db2.gz BXBDAVCTFGASJD-OAHLLOKOSA-N 2 2 282.391 3.228 20 30 CGEDLP CC[N@@H+](CCCn1cc[nH+]c1)[C@H](C)c1ccc(C#N)cc1 ZINC000183166024 189348499 /nfs/dbraw/zinc/34/84/99/189348499.db2.gz BXBDAVCTFGASJD-OAHLLOKOSA-N 2 2 282.391 3.228 20 30 CGEDLP N#Cc1cccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000067250224 369714652 /nfs/dbraw/zinc/71/46/52/369714652.db2.gz CVNJKPOXECNFPH-UHFFFAOYSA-N 2 2 288.354 3.034 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)C1CC1 ZINC000439080964 372972196 /nfs/dbraw/zinc/97/21/96/372972196.db2.gz UDJUAKBPDATZPW-OALUTQOASA-N 2 2 286.463 3.494 20 30 CGEDLP Clc1ccccc1C#CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000441182196 373000649 /nfs/dbraw/zinc/00/06/49/373000649.db2.gz ZMCPXXRHBNGQRM-UHFFFAOYSA-N 2 2 299.805 3.294 20 30 CGEDLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000344844431 217331352 /nfs/dbraw/zinc/33/13/52/217331352.db2.gz RJNIOHGESVZHCC-RHSMWYFYSA-N 2 2 289.423 3.141 20 30 CGEDLP CCC1([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000296691450 373220454 /nfs/dbraw/zinc/22/04/54/373220454.db2.gz LYLVQJDLARTZHD-UHFFFAOYSA-N 2 2 283.419 3.055 20 30 CGEDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000447905261 373522296 /nfs/dbraw/zinc/52/22/96/373522296.db2.gz SXZSIYMVUOWYKZ-AWEZNQCLSA-N 2 2 265.445 3.026 20 30 CGEDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000447905261 373522301 /nfs/dbraw/zinc/52/23/01/373522301.db2.gz SXZSIYMVUOWYKZ-AWEZNQCLSA-N 2 2 265.445 3.026 20 30 CGEDLP CC(C)C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[NH+](C)C ZINC000449076137 373658562 /nfs/dbraw/zinc/65/85/62/373658562.db2.gz SOFOOANCOLAANQ-PCKAHOCUSA-N 2 2 265.445 3.025 20 30 CGEDLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1cccc(C#N)c1 ZINC000181457007 374126530 /nfs/dbraw/zinc/12/65/30/374126530.db2.gz PEKRYBGUROPLIF-AWEZNQCLSA-N 2 2 290.370 3.099 20 30 CGEDLP N#C[C@H]1CCC[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000185754675 374729693 /nfs/dbraw/zinc/72/96/93/374729693.db2.gz GQYANUQUANTYLV-YTQUADARSA-N 2 2 297.446 3.495 20 30 CGEDLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C#N)cc1F ZINC000543762050 376675977 /nfs/dbraw/zinc/67/59/77/376675977.db2.gz UWBYGUXLRCOARG-CYBMUJFWSA-N 2 2 286.354 3.025 20 30 CGEDLP N#Cc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246814984 377095235 /nfs/dbraw/zinc/09/52/35/377095235.db2.gz NLJQRILGQRGQOP-HKUYNNGSSA-N 2 2 295.430 3.007 20 30 CGEDLP N#Cc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246814984 377095241 /nfs/dbraw/zinc/09/52/41/377095241.db2.gz NLJQRILGQRGQOP-HKUYNNGSSA-N 2 2 295.430 3.007 20 30 CGEDLP N#Cc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246814984 377095248 /nfs/dbraw/zinc/09/52/48/377095248.db2.gz NLJQRILGQRGQOP-HKUYNNGSSA-N 2 2 295.430 3.007 20 30 CGEDLP N#Cc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246814984 377095256 /nfs/dbraw/zinc/09/52/56/377095256.db2.gz NLJQRILGQRGQOP-HKUYNNGSSA-N 2 2 295.430 3.007 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000249085587 377459151 /nfs/dbraw/zinc/45/91/51/377459151.db2.gz BQEDSNOAPAZISC-IIDMSEBBSA-N 2 2 294.402 3.399 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000249085587 377459155 /nfs/dbraw/zinc/45/91/55/377459155.db2.gz BQEDSNOAPAZISC-IIDMSEBBSA-N 2 2 294.402 3.399 20 30 CGEDLP C=CCCCCC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000568107469 377513857 /nfs/dbraw/zinc/51/38/57/377513857.db2.gz NTYAMNSZBFZVEV-UHFFFAOYSA-N 2 2 257.381 3.479 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000268885151 378143129 /nfs/dbraw/zinc/14/31/29/378143129.db2.gz NPJCCKBWZXXXGE-QGZVFWFLSA-N 2 2 274.383 3.053 20 30 CGEDLP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)C(C)(C)C ZINC000269414214 378219526 /nfs/dbraw/zinc/21/95/26/378219526.db2.gz JYISQVWMBSRMOD-MRXNPFEDSA-N 2 2 291.414 3.153 20 30 CGEDLP CC(C)(C#N)CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000595508072 378401897 /nfs/dbraw/zinc/40/18/97/378401897.db2.gz GFOSKLMDZBXICB-UHFFFAOYSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000375405568 379497349 /nfs/dbraw/zinc/49/73/49/379497349.db2.gz PUBKJWAYFJNUHH-JKSUJKDBSA-N 2 2 288.439 3.486 20 30 CGEDLP C[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000375405568 379497356 /nfs/dbraw/zinc/49/73/56/379497356.db2.gz PUBKJWAYFJNUHH-JKSUJKDBSA-N 2 2 288.439 3.486 20 30 CGEDLP C[N@@H+]1CC[C@@H]([NH2+]CCCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000375069880 379484359 /nfs/dbraw/zinc/48/43/59/379484359.db2.gz CUTOCNBXLGVVLH-IAGOWNOFSA-N 2 2 285.435 3.351 20 30 CGEDLP C[N@H+]1CC[C@@H]([NH2+]CCCC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000375069880 379484362 /nfs/dbraw/zinc/48/43/62/379484362.db2.gz CUTOCNBXLGVVLH-IAGOWNOFSA-N 2 2 285.435 3.351 20 30 CGEDLP N#Cc1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000355703400 380755198 /nfs/dbraw/zinc/75/51/98/380755198.db2.gz RLCDWJSVIMDEGZ-UHFFFAOYSA-N 2 2 288.354 3.034 20 30 CGEDLP N#Cc1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000355706327 380755810 /nfs/dbraw/zinc/75/58/10/380755810.db2.gz PGQAWKVGKTYFPC-UHFFFAOYSA-N 2 2 294.383 3.095 20 30 CGEDLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccc(C#N)s1 ZINC000421348391 380888327 /nfs/dbraw/zinc/88/83/27/380888327.db2.gz FSHFHQVVZPBQEJ-UHFFFAOYSA-N 2 2 271.389 3.046 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccc(F)cc2O)CC1 ZINC000286089451 392374105 /nfs/dbraw/zinc/37/41/05/392374105.db2.gz MQINWUGRWXBMGH-MRXNPFEDSA-N 2 2 292.398 3.222 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2CC)CC1 ZINC000181746549 392736039 /nfs/dbraw/zinc/73/60/39/392736039.db2.gz DKXTYTVRHKVFLE-GDBMZVCRSA-N 2 2 250.430 3.195 20 30 CGEDLP N#CCC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000179430767 392700145 /nfs/dbraw/zinc/70/01/45/392700145.db2.gz QZQIABDPPMRWMP-KRWDZBQOSA-N 2 2 290.370 3.469 20 30 CGEDLP N#CCC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000179430752 392700342 /nfs/dbraw/zinc/70/03/42/392700342.db2.gz QZQIABDPPMRWMP-QGZVFWFLSA-N 2 2 290.370 3.469 20 30 CGEDLP C=CC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346202525 393080890 /nfs/dbraw/zinc/08/08/90/393080890.db2.gz JITRBRWNLRHKPV-UHFFFAOYSA-N 2 2 273.405 3.332 20 30 CGEDLP CC[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(C#N)cc1 ZINC000278864851 393327146 /nfs/dbraw/zinc/32/71/46/393327146.db2.gz WODYQXIRXMXMFV-QGZVFWFLSA-N 2 2 294.402 3.496 20 30 CGEDLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000359533313 393550817 /nfs/dbraw/zinc/55/08/17/393550817.db2.gz YKCCBUGWVJNTBF-ZDUSSCGKSA-N 2 2 280.375 3.135 20 30 CGEDLP C=CCCCCC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000655825643 419109101 /nfs/dbraw/zinc/10/91/01/419109101.db2.gz LEGUKNPDFGIKLA-UHFFFAOYSA-N 2 2 257.381 3.479 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655851184 419121528 /nfs/dbraw/zinc/12/15/28/419121528.db2.gz QFHKIBBKELKHSZ-LTIDMASMSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655851184 419121532 /nfs/dbraw/zinc/12/15/32/419121532.db2.gz QFHKIBBKELKHSZ-LTIDMASMSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CCC1([NH2+]Cc2cccc3[nH+]ccn32)CCCC1 ZINC000657703145 419330009 /nfs/dbraw/zinc/33/00/09/419330009.db2.gz UXALRZGJEZEOFR-UHFFFAOYSA-N 2 2 255.365 3.313 20 30 CGEDLP C=C(C)C[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000297828981 260136195 /nfs/dbraw/zinc/13/61/95/260136195.db2.gz ZMMDTHMSBVPDCS-UHFFFAOYSA-N 2 2 269.392 3.041 20 30 CGEDLP C=C(C)C[N@H+](CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000297828981 260136197 /nfs/dbraw/zinc/13/61/97/260136197.db2.gz ZMMDTHMSBVPDCS-UHFFFAOYSA-N 2 2 269.392 3.041 20 30 CGEDLP CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000277670382 263042945 /nfs/dbraw/zinc/04/29/45/263042945.db2.gz JSSLABNIYLKMPD-CQSZACIVSA-N 2 2 274.412 3.309 20 30 CGEDLP CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000277670382 263042946 /nfs/dbraw/zinc/04/29/46/263042946.db2.gz JSSLABNIYLKMPD-CQSZACIVSA-N 2 2 274.412 3.309 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000093944801 328516047 /nfs/dbraw/zinc/51/60/47/328516047.db2.gz YOYRSLBXCVYNSX-HNNXBMFYSA-N 2 2 287.451 3.054 20 30 CGEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000378185883 329042633 /nfs/dbraw/zinc/04/26/33/329042633.db2.gz VAYXZSMZWONYQN-GJZGRUSLSA-N 2 2 261.413 3.403 20 30 CGEDLP C=CC(C)(C)C[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423148970 330172754 /nfs/dbraw/zinc/17/27/54/330172754.db2.gz HAWCWWVALJUZJQ-SJORKVTESA-N 2 2 288.435 3.290 20 30 CGEDLP C=CCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423369843 330194954 /nfs/dbraw/zinc/19/49/54/330194954.db2.gz OYGHWOGWAMYXBZ-DXCKQFNASA-N 2 2 294.389 3.355 20 30 CGEDLP C#C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000491691810 332288548 /nfs/dbraw/zinc/28/85/48/332288548.db2.gz HJSKUQHLLLCFIC-QGZVFWFLSA-N 2 2 288.822 3.231 20 30 CGEDLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(C#N)cc1F ZINC000358571160 533847057 /nfs/dbraw/zinc/84/70/57/533847057.db2.gz OKRGHRCAEGJTTQ-AWEZNQCLSA-N 2 2 289.398 3.224 20 30 CGEDLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1F ZINC000075860030 522929641 /nfs/dbraw/zinc/92/96/41/522929641.db2.gz UPFMPEUVSCUYSH-INIZCTEOSA-N 2 2 289.398 3.004 20 30 CGEDLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1F ZINC000075860030 522929648 /nfs/dbraw/zinc/92/96/48/522929648.db2.gz UPFMPEUVSCUYSH-INIZCTEOSA-N 2 2 289.398 3.004 20 30 CGEDLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)cc1F ZINC000075860030 522929658 /nfs/dbraw/zinc/92/96/58/522929658.db2.gz UPFMPEUVSCUYSH-INIZCTEOSA-N 2 2 289.398 3.004 20 30 CGEDLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1F ZINC000075860030 522929663 /nfs/dbraw/zinc/92/96/63/522929663.db2.gz UPFMPEUVSCUYSH-INIZCTEOSA-N 2 2 289.398 3.004 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2ccc(F)cn2)CC1 ZINC000352719426 526606073 /nfs/dbraw/zinc/60/60/73/526606073.db2.gz KAWSQKXNWOWDPX-MRXNPFEDSA-N 2 2 291.414 3.302 20 30 CGEDLP C#CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CCCCC1 ZINC000750041382 573077020 /nfs/dbraw/zinc/07/70/20/573077020.db2.gz NCDSTYSHXPACPX-UHFFFAOYSA-N 2 2 294.402 3.035 20 30 CGEDLP C#CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CCCCC1 ZINC000750041382 573077027 /nfs/dbraw/zinc/07/70/27/573077027.db2.gz NCDSTYSHXPACPX-UHFFFAOYSA-N 2 2 294.402 3.035 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)CCC(F)(F)F)CC1 ZINC000872032857 620274554 /nfs/dbraw/zinc/27/45/54/620274554.db2.gz BCQOPABMWAWOEX-LBPRGKRZSA-N 2 2 278.362 3.348 20 30 CGEDLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(C#N)c1 ZINC000902836144 621468536 /nfs/dbraw/zinc/46/85/36/621468536.db2.gz SXRQTPZSIWPPQQ-KRWDZBQOSA-N 2 2 294.402 3.496 20 30 CGEDLP CC(C)(C#N)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000903099981 621572628 /nfs/dbraw/zinc/57/26/28/621572628.db2.gz DYNMZNRTCJAKFN-NNZMDNLPSA-N 2 2 297.446 3.321 20 30 CGEDLP CC(C)(C#N)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000903099981 621572633 /nfs/dbraw/zinc/57/26/33/621572633.db2.gz DYNMZNRTCJAKFN-NNZMDNLPSA-N 2 2 297.446 3.321 20 30 CGEDLP CCN(C)c1ccc(C(C)=[NH+]Nc2cc[nH+]cc2C)cc1 ZINC000863157416 629484621 /nfs/dbraw/zinc/48/46/21/629484621.db2.gz MMGFLTJTYCXWDQ-UHFFFAOYSA-N 2 2 282.391 3.104 20 30 CGEDLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000795798180 629716719 /nfs/dbraw/zinc/71/67/19/629716719.db2.gz ZESLMLVTTWPGQL-KXBFYZLASA-N 2 2 297.446 3.400 20 30 CGEDLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000795798180 629716722 /nfs/dbraw/zinc/71/67/22/629716722.db2.gz ZESLMLVTTWPGQL-KXBFYZLASA-N 2 2 297.446 3.400 20 30 CGEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000823683605 633137189 /nfs/dbraw/zinc/13/71/89/633137189.db2.gz DJZWVCQYAGMJIO-CKDBGZEDSA-N 2 2 288.439 3.360 20 30 CGEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000866561842 633191615 /nfs/dbraw/zinc/19/16/15/633191615.db2.gz MLQGUMXRMULKGA-INMHGKMJSA-N 2 2 275.440 3.065 20 30 CGEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000866561842 633191623 /nfs/dbraw/zinc/19/16/23/633191623.db2.gz MLQGUMXRMULKGA-INMHGKMJSA-N 2 2 275.440 3.065 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)C(C)(C)CC)CC1 ZINC000872032786 633951858 /nfs/dbraw/zinc/95/18/58/633951858.db2.gz ADNYUUDJWJGAAN-HNNXBMFYSA-N 2 2 252.446 3.441 20 30 CGEDLP CC(C)(C#N)CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570579 636023804 /nfs/dbraw/zinc/02/38/04/636023804.db2.gz YAINPGMXVRWWPX-MRXNPFEDSA-N 2 2 282.391 3.154 20 30 CGEDLP C=CCC[C@@H](Cc1ccccc1)[NH2+]CCn1cc[nH+]c1 ZINC000883166317 636562017 /nfs/dbraw/zinc/56/20/17/636562017.db2.gz XDPVGCUZYZJHRR-KRWDZBQOSA-N 2 2 269.392 3.050 20 30 CGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3C=CCC3)CC2)cc1 ZINC000883238147 636608086 /nfs/dbraw/zinc/60/80/86/636608086.db2.gz UEZGXFQUZDWUSZ-QGZVFWFLSA-N 2 2 295.430 3.078 20 30 CGEDLP CCC1([NH+]2CCC2)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000886707268 637666140 /nfs/dbraw/zinc/66/61/40/637666140.db2.gz CMLBBFWJDFNXHC-UHFFFAOYSA-N 2 2 283.419 3.009 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000926715200 638802722 /nfs/dbraw/zinc/80/27/22/638802722.db2.gz SDOQZIROEOKKJW-CABCVRRESA-N 2 2 265.445 3.025 20 30 CGEDLP N#Cc1ccc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000933609797 639469580 /nfs/dbraw/zinc/46/95/80/639469580.db2.gz IRCRRQRJAISNEF-UHFFFAOYSA-N 2 2 294.402 3.024 20 30 CGEDLP C=CCCCCc1[nH]c2c(cccc2N2CC[NH+](C)CC2)[nH+]1 ZINC001250613440 805724581 /nfs/dbraw/zinc/72/45/81/805724581.db2.gz ASIVGWDGUZRLLS-UHFFFAOYSA-N 2 2 298.434 3.214 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001253239559 806190977 /nfs/dbraw/zinc/19/09/77/806190977.db2.gz NQRGBLNNGDBMFA-GOSISDBHSA-N 2 2 296.499 3.290 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001253239559 806190980 /nfs/dbraw/zinc/19/09/80/806190980.db2.gz NQRGBLNNGDBMFA-GOSISDBHSA-N 2 2 296.499 3.290 20 30 CGEDLP CC[C@H](CC#N)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001255177536 806570349 /nfs/dbraw/zinc/57/03/49/806570349.db2.gz UKPSUVGKURXYRS-CQSZACIVSA-N 2 2 263.429 3.017 20 30 CGEDLP CC[C@H](CC#N)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001255177536 806570362 /nfs/dbraw/zinc/57/03/62/806570362.db2.gz UKPSUVGKURXYRS-CQSZACIVSA-N 2 2 263.429 3.017 20 30 CGEDLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001255958207 806800986 /nfs/dbraw/zinc/80/09/86/806800986.db2.gz ZNJKKIDBTZKYIB-HNNXBMFYSA-N 2 2 285.435 3.037 20 30 CGEDLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001255958207 806800995 /nfs/dbraw/zinc/80/09/95/806800995.db2.gz ZNJKKIDBTZKYIB-HNNXBMFYSA-N 2 2 285.435 3.037 20 30 CGEDLP N#C[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256610191 806924859 /nfs/dbraw/zinc/92/48/59/806924859.db2.gz YALJXMPKDCYIBO-QGZVFWFLSA-N 2 2 297.446 3.277 20 30 CGEDLP N#C[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256610191 806924863 /nfs/dbraw/zinc/92/48/63/806924863.db2.gz YALJXMPKDCYIBO-QGZVFWFLSA-N 2 2 297.446 3.277 20 30 CGEDLP CC1(C)CCC[N@@H+]1CC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001117747936 802485762 /nfs/dbraw/zinc/48/57/62/802485762.db2.gz MMGHCCQGTNSUSH-UHFFFAOYSA-N 2 2 297.446 3.074 20 30 CGEDLP CC1(C)CCC[N@H+]1CC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001117747936 802485768 /nfs/dbraw/zinc/48/57/68/802485768.db2.gz MMGHCCQGTNSUSH-UHFFFAOYSA-N 2 2 297.446 3.074 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1CCC[NH2+]C1 ZINC001245978240 804094343 /nfs/dbraw/zinc/09/43/43/804094343.db2.gz ACPCKWBWARITIP-DLBZAZTESA-N 2 2 284.488 3.220 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[N@H+](CC)CC[NH3+] ZINC001246052959 804105297 /nfs/dbraw/zinc/10/52/97/804105297.db2.gz PFSXFYQUEABCHP-MRXNPFEDSA-N 2 2 272.477 3.159 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[N@@H+](CC)CC[NH3+] ZINC001246052959 804105301 /nfs/dbraw/zinc/10/53/01/804105301.db2.gz PFSXFYQUEABCHP-MRXNPFEDSA-N 2 2 272.477 3.159 20 30 CGEDLP CCCCCCC[C@@H](CC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246092632 804125376 /nfs/dbraw/zinc/12/53/76/804125376.db2.gz SZLJOIBNHGJAIZ-ZNMIVQPWSA-N 2 2 258.425 3.415 20 30 CGEDLP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139362891 804182860 /nfs/dbraw/zinc/18/28/60/804182860.db2.gz QQZMUAMUHZNLPK-XGWQRUHWSA-N 2 2 292.386 3.139 20 30 CGEDLP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001139362891 804182864 /nfs/dbraw/zinc/18/28/64/804182864.db2.gz QQZMUAMUHZNLPK-XGWQRUHWSA-N 2 2 292.386 3.139 20 30 CGEDLP CCCCCCC[C@H](CC)[NH2+][C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001246292496 804262967 /nfs/dbraw/zinc/26/29/67/804262967.db2.gz JVGGAKAEUAUFCY-JYJNAYRXSA-N 2 2 270.461 3.092 20 30 CGEDLP CCCCCCCC[C@@H](CCC)[NH2+]CC[NH2+]CCO ZINC001246380489 804313230 /nfs/dbraw/zinc/31/32/30/804313230.db2.gz WIXRWQZJJBRDGC-MRXNPFEDSA-N 2 2 272.477 3.077 20 30 CGEDLP CC(C)[NH+]1CCC([N@H+](CCC#N)C2CCCC2)CC1 ZINC001257221005 807066370 /nfs/dbraw/zinc/06/63/70/807066370.db2.gz XTFQZUHCJPRUPY-UHFFFAOYSA-N 2 2 263.429 3.017 20 30 CGEDLP CC(C)[NH+]1CCC([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001257221005 807066377 /nfs/dbraw/zinc/06/63/77/807066377.db2.gz XTFQZUHCJPRUPY-UHFFFAOYSA-N 2 2 263.429 3.017 20 30 CGEDLP C=C1C[C@@H]2CC([NH+]3C[C@H]4CCC[N@@H+](C)[C@H]4C3)C[C@H](C1)C2 ZINC001257894351 807244457 /nfs/dbraw/zinc/24/44/57/807244457.db2.gz QMCWDRPXQMFYGN-JILJLDPQSA-N 2 2 274.452 3.147 20 30 CGEDLP C=C1C[C@@H]2CC([NH+]3C[C@H]4CCC[N@H+](C)[C@H]4C3)C[C@H](C1)C2 ZINC001257894351 807244459 /nfs/dbraw/zinc/24/44/59/807244459.db2.gz QMCWDRPXQMFYGN-JILJLDPQSA-N 2 2 274.452 3.147 20 30 CGEDLP C=C1C[C@@H]2CC([N@@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)C[C@H](C1)C2 ZINC001257894351 807244463 /nfs/dbraw/zinc/24/44/63/807244463.db2.gz QMCWDRPXQMFYGN-JILJLDPQSA-N 2 2 274.452 3.147 20 30 CGEDLP C=C1C[C@@H]2CC([N@H+]3C[C@H]4CCC[NH+](C)[C@H]4C3)C[C@H](C1)C2 ZINC001257894351 807244464 /nfs/dbraw/zinc/24/44/64/807244464.db2.gz QMCWDRPXQMFYGN-JILJLDPQSA-N 2 2 274.452 3.147 20 30 CGEDLP CC(C)C[NH+]1CCC([N@@H+]2CCc3ccc(C#N)cc3C2)CC1 ZINC001258012886 807266249 /nfs/dbraw/zinc/26/62/49/807266249.db2.gz HYMYTRKLINLMBP-UHFFFAOYSA-N 2 2 297.446 3.037 20 30 CGEDLP CC(C)C[NH+]1CCC([N@H+]2CCc3ccc(C#N)cc3C2)CC1 ZINC001258012886 807266252 /nfs/dbraw/zinc/26/62/52/807266252.db2.gz HYMYTRKLINLMBP-UHFFFAOYSA-N 2 2 297.446 3.037 20 30 CGEDLP CC1(C)C[C@@H](Nc2[nH+]cccc2CC#N)C[C@@](C)(C[NH3+])C1 ZINC001169138272 807588708 /nfs/dbraw/zinc/58/87/08/807588708.db2.gz PFVBVFAIMOVVPH-RHSMWYFYSA-N 2 2 286.423 3.103 20 30 CGEDLP C=CC[N@H+](Cc1ccccc1)C1CC[NH+](CC)CC1 ZINC001169265847 807618915 /nfs/dbraw/zinc/61/89/15/807618915.db2.gz SBZKPMYPZBADAI-UHFFFAOYSA-N 2 2 258.409 3.159 20 30 CGEDLP C=CC[N@@H+](Cc1ccccc1)C1CC[NH+](CC)CC1 ZINC001169265847 807618916 /nfs/dbraw/zinc/61/89/16/807618916.db2.gz SBZKPMYPZBADAI-UHFFFAOYSA-N 2 2 258.409 3.159 20 30 CGEDLP CCC[N@H+](CCC#N)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171636917 808109580 /nfs/dbraw/zinc/10/95/80/808109580.db2.gz KMLHGZBIGMMUMB-UHFFFAOYSA-N 2 2 265.445 3.263 20 30 CGEDLP CCC[N@@H+](CCC#N)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171636917 808109585 /nfs/dbraw/zinc/10/95/85/808109585.db2.gz KMLHGZBIGMMUMB-UHFFFAOYSA-N 2 2 265.445 3.263 20 30 CGEDLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]CC(C)(C)CCC#N ZINC001177476016 809799851 /nfs/dbraw/zinc/79/98/51/809799851.db2.gz VIXCWRYEASXXML-GJZGRUSLSA-N 2 2 265.445 3.026 20 30 CGEDLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]CC(C)(C)CCC#N ZINC001177476016 809799856 /nfs/dbraw/zinc/79/98/56/809799856.db2.gz VIXCWRYEASXXML-GJZGRUSLSA-N 2 2 265.445 3.026 20 30 CGEDLP C[NH+]1CCC([N@H+](Cc2cccc(C#N)c2)C2CCCC2)CC1 ZINC001203765259 812458248 /nfs/dbraw/zinc/45/82/48/812458248.db2.gz YFDOCGSDFZVOIS-UHFFFAOYSA-N 2 2 297.446 3.397 20 30 CGEDLP C[NH+]1CCC([N@@H+](Cc2cccc(C#N)c2)C2CCCC2)CC1 ZINC001203765259 812458251 /nfs/dbraw/zinc/45/82/51/812458251.db2.gz YFDOCGSDFZVOIS-UHFFFAOYSA-N 2 2 297.446 3.397 20 30 CGEDLP C=CCCCCCCCC[N@@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001222360069 816418454 /nfs/dbraw/zinc/41/84/54/816418454.db2.gz GECFAFFHQQWAEG-GOSISDBHSA-N 2 2 294.483 3.358 20 30 CGEDLP C=CCCCCCCCC[N@H+]1CCO[C@@]2(CCC[NH2+]C2)C1 ZINC001222360069 816418459 /nfs/dbraw/zinc/41/84/59/816418459.db2.gz GECFAFFHQQWAEG-GOSISDBHSA-N 2 2 294.483 3.358 20 30 CGEDLP C=CCCC[N@@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236389642 819445685 /nfs/dbraw/zinc/44/56/85/819445685.db2.gz BMWOUHGZIPNTEZ-KRWDZBQOSA-N 2 2 276.399 3.346 20 30 CGEDLP C=CCCC[N@H+](Cc1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC001236389642 819445689 /nfs/dbraw/zinc/44/56/89/819445689.db2.gz BMWOUHGZIPNTEZ-KRWDZBQOSA-N 2 2 276.399 3.346 20 30 CGEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001333008240 935503765 /nfs/dbraw/zinc/50/37/65/935503765.db2.gz ISDVDGWSLFDNQK-ZDUSSCGKSA-N 2 2 265.788 3.019 20 30 CGEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001333008240 935503771 /nfs/dbraw/zinc/50/37/71/935503771.db2.gz ISDVDGWSLFDNQK-ZDUSSCGKSA-N 2 2 265.788 3.019 20 30 CGEDLP N#Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)s1 ZINC001580065814 962687788 /nfs/dbraw/zinc/68/77/88/962687788.db2.gz TWDONGHFUPPEJO-PBHICJAKSA-N 2 2 297.427 3.203 20 30 CGEDLP C=CCCC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000081557233 260182654 /nfs/dbraw/zinc/18/26/54/260182654.db2.gz YXZGOQGNBZAMOU-QGZVFWFLSA-N 2 2 258.409 3.207 20 30 CGEDLP C=CCCC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000081557233 260182656 /nfs/dbraw/zinc/18/26/56/260182656.db2.gz YXZGOQGNBZAMOU-QGZVFWFLSA-N 2 2 258.409 3.207 20 30 CGEDLP CC(C)(CCC#N)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000174310604 346240619 /nfs/dbraw/zinc/24/06/19/346240619.db2.gz ZMJCJGJODZHWTR-UHFFFAOYSA-N 2 2 282.391 3.292 20 30 CGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594498430 347179518 /nfs/dbraw/zinc/17/95/18/347179518.db2.gz PTBWYZOWBOXPEC-KDOFPFPSSA-N 2 2 297.446 3.060 20 30 CGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594498430 347179521 /nfs/dbraw/zinc/17/95/21/347179521.db2.gz PTBWYZOWBOXPEC-KDOFPFPSSA-N 2 2 297.446 3.060 20 30 CGEDLP C=CCCSCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000594960377 347241506 /nfs/dbraw/zinc/24/15/06/347241506.db2.gz PCLOGWAYTHEQBO-UHFFFAOYSA-N 2 2 293.461 3.333 20 30 CGEDLP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000594978584 347247664 /nfs/dbraw/zinc/24/76/64/347247664.db2.gz FTDWEANJKZCJMZ-LJQANCHMSA-N 2 2 297.446 3.301 20 30 CGEDLP C[C@H](CC[NH2+]Cc1cccc(F)c1C#N)[NH+]1CCCCC1 ZINC000602015615 347933457 /nfs/dbraw/zinc/93/34/57/347933457.db2.gz OEMDJUCDKNSWPR-CQSZACIVSA-N 2 2 289.398 3.051 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]C1CCC(C#N)CC1)C(C)C ZINC000602510100 347973083 /nfs/dbraw/zinc/97/30/83/347973083.db2.gz JVFXRWBLCMMODB-DAWZGUTISA-N 2 2 289.467 3.357 20 30 CGEDLP N#CC1CCC([NH2+]CCCc2[nH]c3ccccc3[nH+]2)CC1 ZINC000602525544 347975964 /nfs/dbraw/zinc/97/59/64/347975964.db2.gz ADSYUNVGDSTKSM-UHFFFAOYSA-N 2 2 282.391 3.167 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000602549565 347980108 /nfs/dbraw/zinc/98/01/08/347980108.db2.gz DSSUFOMDINYXAC-HZPDHXFCSA-N 2 2 273.424 3.036 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000602549565 347980112 /nfs/dbraw/zinc/98/01/12/347980112.db2.gz DSSUFOMDINYXAC-HZPDHXFCSA-N 2 2 273.424 3.036 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CC1 ZINC000624188997 349996218 /nfs/dbraw/zinc/99/62/18/349996218.db2.gz SENGVHRAKMZYQT-IAGOWNOFSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CC1 ZINC000624188997 349996220 /nfs/dbraw/zinc/99/62/20/349996220.db2.gz SENGVHRAKMZYQT-IAGOWNOFSA-N 2 2 262.441 3.338 20 30 CGEDLP C[C@@]1(C#N)CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000612405765 348516823 /nfs/dbraw/zinc/51/68/23/348516823.db2.gz CNTPFGRJYIPYIU-HNNXBMFYSA-N 2 2 286.404 3.059 20 30 CGEDLP C[C@@]1(C#N)CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000612405765 348516825 /nfs/dbraw/zinc/51/68/25/348516825.db2.gz CNTPFGRJYIPYIU-HNNXBMFYSA-N 2 2 286.404 3.059 20 30 CGEDLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)C#N)CC2)C1 ZINC000612585408 348530605 /nfs/dbraw/zinc/53/06/05/348530605.db2.gz BDINVTYAJONSTM-GOEBONIOSA-N 2 2 277.456 3.169 20 30 CGEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2CC)cc1Cl ZINC000629390164 350687519 /nfs/dbraw/zinc/68/75/19/350687519.db2.gz LQBCFSGJDFNYSS-LSDHHAIUSA-N 2 2 294.826 3.135 20 30 CGEDLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(C#N)c1 ZINC000181867218 189309060 /nfs/dbraw/zinc/30/90/60/189309060.db2.gz IDBZYFLMQJEBLP-AWEZNQCLSA-N 2 2 280.375 3.106 20 30 CGEDLP C=CCOc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000092648350 370100237 /nfs/dbraw/zinc/10/02/37/370100237.db2.gz GTNPYQXTNWDTHC-UHFFFAOYSA-N 2 2 297.402 3.285 20 30 CGEDLP C=CCOc1ccccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644293 370149626 /nfs/dbraw/zinc/14/96/26/370149626.db2.gz WKVHWKWSVGIJNV-WBVHZDCISA-N 2 2 288.435 3.166 20 30 CGEDLP C=CCOc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644293 370149632 /nfs/dbraw/zinc/14/96/32/370149632.db2.gz WKVHWKWSVGIJNV-WBVHZDCISA-N 2 2 288.435 3.166 20 30 CGEDLP C=CCOc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644293 370149638 /nfs/dbraw/zinc/14/96/38/370149638.db2.gz WKVHWKWSVGIJNV-WBVHZDCISA-N 2 2 288.435 3.166 20 30 CGEDLP C=CCOc1ccccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644293 370149644 /nfs/dbraw/zinc/14/96/44/370149644.db2.gz WKVHWKWSVGIJNV-WBVHZDCISA-N 2 2 288.435 3.166 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@@H](C)[NH+]1CCC(C)CC1)C1CC1 ZINC000439083661 372972924 /nfs/dbraw/zinc/97/29/24/372972924.db2.gz CZSSJOFCHJYSTA-NVXWUHKLSA-N 2 2 264.457 3.441 20 30 CGEDLP Clc1ccccc1C#CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000441243640 373000384 /nfs/dbraw/zinc/00/03/84/373000384.db2.gz AOTFJAQEVXPNEU-UHFFFAOYSA-N 2 2 299.805 3.294 20 30 CGEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000442763788 373075276 /nfs/dbraw/zinc/07/52/76/373075276.db2.gz GWHOWQDXGJITIR-GUDVDZBRSA-N 2 2 297.446 3.323 20 30 CGEDLP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000442763788 373075286 /nfs/dbraw/zinc/07/52/86/373075286.db2.gz GWHOWQDXGJITIR-GUDVDZBRSA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@]1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000442849472 373103833 /nfs/dbraw/zinc/10/38/33/373103833.db2.gz HJASTLJCFRTTHQ-GUDVDZBRSA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@]1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCC[N@H+]1Cc1ccccc1 ZINC000442849472 373103837 /nfs/dbraw/zinc/10/38/37/373103837.db2.gz HJASTLJCFRTTHQ-GUDVDZBRSA-N 2 2 297.446 3.323 20 30 CGEDLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCC1 ZINC000449471700 373755352 /nfs/dbraw/zinc/75/53/52/373755352.db2.gz DGLLRPJXKODYOK-QZTJIDSGSA-N 2 2 297.446 3.323 20 30 CGEDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCC1 ZINC000449471700 373755355 /nfs/dbraw/zinc/75/53/55/373755355.db2.gz DGLLRPJXKODYOK-QZTJIDSGSA-N 2 2 297.446 3.323 20 30 CGEDLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCC1 ZINC000449471699 373755669 /nfs/dbraw/zinc/75/56/69/373755669.db2.gz DGLLRPJXKODYOK-MSOLQXFVSA-N 2 2 297.446 3.323 20 30 CGEDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCC1 ZINC000449471699 373755673 /nfs/dbraw/zinc/75/56/73/373755673.db2.gz DGLLRPJXKODYOK-MSOLQXFVSA-N 2 2 297.446 3.323 20 30 CGEDLP CC(C)[C@H](C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181786858 374172081 /nfs/dbraw/zinc/17/20/81/374172081.db2.gz KTVNWVVWIFIXBN-MRXNPFEDSA-N 2 2 299.462 3.404 20 30 CGEDLP C=CCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309850779 374199867 /nfs/dbraw/zinc/19/98/67/374199867.db2.gz AIEOIFOFBDWLSF-NVXWUHKLSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309850779 374199873 /nfs/dbraw/zinc/19/98/73/374199873.db2.gz AIEOIFOFBDWLSF-NVXWUHKLSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000185383633 374651991 /nfs/dbraw/zinc/65/19/91/374651991.db2.gz NVYHDERLBXFMDB-AWEZNQCLSA-N 2 2 274.408 3.002 20 30 CGEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)cc2C#N)CC[N@@H+]1C ZINC000187119819 374975682 /nfs/dbraw/zinc/97/56/82/374975682.db2.gz RZWJWYMQUMMCNY-LRDDRELGSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Cl)cc2C#N)CC[N@H+]1C ZINC000187119819 374975692 /nfs/dbraw/zinc/97/56/92/374975692.db2.gz RZWJWYMQUMMCNY-LRDDRELGSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)cc2C#N)CC[NH+]1C ZINC000187119819 374975697 /nfs/dbraw/zinc/97/56/97/374975697.db2.gz RZWJWYMQUMMCNY-LRDDRELGSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)CC[NH+]1C ZINC000187119819 374975704 /nfs/dbraw/zinc/97/57/04/374975704.db2.gz RZWJWYMQUMMCNY-LRDDRELGSA-N 2 2 291.826 3.126 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000248800126 377402012 /nfs/dbraw/zinc/40/20/12/377402012.db2.gz JOVBJMINIJTDKI-QRQLOZEOSA-N 2 2 297.446 3.495 20 30 CGEDLP CCCC[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269461560 378224954 /nfs/dbraw/zinc/22/49/54/378224954.db2.gz XZRYGUWNDQRLGM-UHFFFAOYSA-N 2 2 289.398 3.051 20 30 CGEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271095859 378452124 /nfs/dbraw/zinc/45/21/24/378452124.db2.gz YSXNKLWVHCTGNR-XBMUEBEBSA-N 2 2 297.446 3.074 20 30 CGEDLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271095859 378452129 /nfs/dbraw/zinc/45/21/29/378452129.db2.gz YSXNKLWVHCTGNR-XBMUEBEBSA-N 2 2 297.446 3.074 20 30 CGEDLP C=C(CC)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389813688 379902970 /nfs/dbraw/zinc/90/29/70/379902970.db2.gz HNIOKVWHVVWVQV-DOTOQJQBSA-N 2 2 258.409 3.063 20 30 CGEDLP C=C(CC)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389813688 379902978 /nfs/dbraw/zinc/90/29/78/379902978.db2.gz HNIOKVWHVVWVQV-DOTOQJQBSA-N 2 2 258.409 3.063 20 30 CGEDLP C[C@@H](C#N)C[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411219980 380135963 /nfs/dbraw/zinc/13/59/63/380135963.db2.gz AZPAKIDAAJEUOA-INIZCTEOSA-N 2 2 285.435 3.264 20 30 CGEDLP C[C@@H](C#N)C[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411219980 380135970 /nfs/dbraw/zinc/13/59/70/380135970.db2.gz AZPAKIDAAJEUOA-INIZCTEOSA-N 2 2 285.435 3.264 20 30 CGEDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360835929 381630776 /nfs/dbraw/zinc/63/07/76/381630776.db2.gz LPXBVVCJUJJQPJ-KSSFIOAISA-N 2 2 294.402 3.201 20 30 CGEDLP C=C(C)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282032476 392275329 /nfs/dbraw/zinc/27/53/29/392275329.db2.gz KZXCSENAHVJFCA-HNNXBMFYSA-N 2 2 273.424 3.365 20 30 CGEDLP C=C(C)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282032476 392275335 /nfs/dbraw/zinc/27/53/35/392275335.db2.gz KZXCSENAHVJFCA-HNNXBMFYSA-N 2 2 273.424 3.365 20 30 CGEDLP C=CC[C@@H](C)[C@H](C)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348833030 393132595 /nfs/dbraw/zinc/13/25/95/393132595.db2.gz LJZVXLXSQMYUIY-KGLIPLIRSA-N 2 2 270.380 3.339 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448028011 393867690 /nfs/dbraw/zinc/86/76/90/393867690.db2.gz ODGDXWOLCNNGCR-SOUVJXGZSA-N 2 2 252.446 3.297 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448028011 393867693 /nfs/dbraw/zinc/86/76/93/393867693.db2.gz ODGDXWOLCNNGCR-SOUVJXGZSA-N 2 2 252.446 3.297 20 30 CGEDLP C=CC[C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000668493675 543020500 /nfs/dbraw/zinc/02/05/00/543020500.db2.gz QHENEVVLGUTHOG-AWEZNQCLSA-N 2 2 255.365 3.122 20 30 CGEDLP C=CC[C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000668493675 543020504 /nfs/dbraw/zinc/02/05/04/543020504.db2.gz QHENEVVLGUTHOG-AWEZNQCLSA-N 2 2 255.365 3.122 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000676489865 543400027 /nfs/dbraw/zinc/40/00/27/543400027.db2.gz VCRJXACWYAFCPA-IAGOWNOFSA-N 2 2 258.409 3.378 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000676489865 543400029 /nfs/dbraw/zinc/40/00/29/543400029.db2.gz VCRJXACWYAFCPA-IAGOWNOFSA-N 2 2 258.409 3.378 20 30 CGEDLP CCC#C[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000679953892 543670034 /nfs/dbraw/zinc/67/00/34/543670034.db2.gz ZIYVNFWPGCGVHI-MRXNPFEDSA-N 2 2 273.424 3.177 20 30 CGEDLP C=CCC[C@@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000680465002 543711483 /nfs/dbraw/zinc/71/14/83/543711483.db2.gz GWKKXLCNCQZKOR-CQSZACIVSA-N 2 2 257.381 3.130 20 30 CGEDLP C[NH+](C)C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)c1ccccc1 ZINC000449066284 261144377 /nfs/dbraw/zinc/14/43/77/261144377.db2.gz BBCILKYKTFZSCF-LXPRWKDFSA-N 2 2 285.435 3.351 20 30 CGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000294970409 263170283 /nfs/dbraw/zinc/17/02/83/263170283.db2.gz FRJWAUWJNHLNCT-KCITZHQASA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000294970409 263170284 /nfs/dbraw/zinc/17/02/84/263170284.db2.gz FRJWAUWJNHLNCT-KCITZHQASA-N 2 2 297.446 3.179 20 30 CGEDLP C=CCC[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)C1CC1 ZINC000120093672 263281002 /nfs/dbraw/zinc/28/10/02/263281002.db2.gz YFAQJWVKZWRQSH-INIZCTEOSA-N 2 2 282.391 3.102 20 30 CGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CC=CC3)CC2)cc1 ZINC000527745862 270133815 /nfs/dbraw/zinc/13/38/15/270133815.db2.gz SAPHGTREKYJHJE-UHFFFAOYSA-N 2 2 295.430 3.078 20 30 CGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)CC2 ZINC000527997690 270149540 /nfs/dbraw/zinc/14/95/40/270149540.db2.gz AGKFACBHNAFSQZ-PKOBYXMFSA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)CC2 ZINC000527997690 270149541 /nfs/dbraw/zinc/14/95/41/270149541.db2.gz AGKFACBHNAFSQZ-PKOBYXMFSA-N 2 2 295.430 3.152 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000186406824 277857447 /nfs/dbraw/zinc/85/74/47/277857447.db2.gz WCDXMAJXJZFNJJ-SFHVURJKSA-N 2 2 285.435 3.173 20 30 CGEDLP C=CCCCC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423048378 330167225 /nfs/dbraw/zinc/16/72/25/330167225.db2.gz HSYVBWFEIBXFJC-ZWKOTPCHSA-N 2 2 288.435 3.434 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527953966 330294707 /nfs/dbraw/zinc/29/47/07/330294707.db2.gz XVBAJECLYQRQAC-INMHGKMJSA-N 2 2 275.440 3.065 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527953966 330294708 /nfs/dbraw/zinc/29/47/08/330294708.db2.gz XVBAJECLYQRQAC-INMHGKMJSA-N 2 2 275.440 3.065 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000553102930 334361615 /nfs/dbraw/zinc/36/16/15/334361615.db2.gz NWINEMDYRSEQNS-OFQRWUPVSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000553102930 334361616 /nfs/dbraw/zinc/36/16/16/334361616.db2.gz NWINEMDYRSEQNS-OFQRWUPVSA-N 2 2 250.430 3.194 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C)s2)CC1 ZINC000106245973 526604996 /nfs/dbraw/zinc/60/49/96/526604996.db2.gz YEYMEJYMTZYYHC-UHFFFAOYSA-N 2 2 264.438 3.187 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2ccc(F)cn2)CC1 ZINC000352719425 526605126 /nfs/dbraw/zinc/60/51/26/526605126.db2.gz KAWSQKXNWOWDPX-INIZCTEOSA-N 2 2 291.414 3.302 20 30 CGEDLP C=CCC[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@]1(C)CCCCO1 ZINC000902721067 621409570 /nfs/dbraw/zinc/40/95/70/621409570.db2.gz TWJFKQVXZSHELR-DLBZAZTESA-N 2 2 291.439 3.157 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(Cl)c2C)CC1 ZINC000865453874 630130374 /nfs/dbraw/zinc/13/03/74/630130374.db2.gz KVWYCUMORDYIHD-UHFFFAOYSA-N 2 2 278.827 3.388 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2C)CC1 ZINC000815577072 631797931 /nfs/dbraw/zinc/79/79/31/631797931.db2.gz GIASFDQLPKHROW-AWEZNQCLSA-N 2 2 276.399 3.435 20 30 CGEDLP C#CC[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000829793991 633785835 /nfs/dbraw/zinc/78/58/35/633785835.db2.gz PMGGPHDMRKGHCW-INIZCTEOSA-N 2 2 279.387 3.108 20 30 CGEDLP C#CC[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000829793991 633785838 /nfs/dbraw/zinc/78/58/38/633785838.db2.gz PMGGPHDMRKGHCW-INIZCTEOSA-N 2 2 279.387 3.108 20 30 CGEDLP N#CC1(CCCC[NH+]2CCC(n3cc[nH+]c3)CC2)CCC1 ZINC000929803474 638952881 /nfs/dbraw/zinc/95/28/81/638952881.db2.gz ISJOOCRBJQIZQU-UHFFFAOYSA-N 2 2 286.423 3.384 20 30 CGEDLP C[N@H+]([C@@H]1CC[C@H](C#N)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001254661109 806478184 /nfs/dbraw/zinc/47/81/84/806478184.db2.gz PAGXMPCWDSKJCK-PKOBYXMFSA-N 2 2 297.446 3.275 20 30 CGEDLP C[N@@H+]([C@@H]1CC[C@H](C#N)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001254661109 806478189 /nfs/dbraw/zinc/47/81/89/806478189.db2.gz PAGXMPCWDSKJCK-PKOBYXMFSA-N 2 2 297.446 3.275 20 30 CGEDLP CC[C@@H](CC#N)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000390714569 799472698 /nfs/dbraw/zinc/47/26/98/799472698.db2.gz BTLNTBLQTYEVEH-ROUUACIJSA-N 2 2 285.435 3.180 20 30 CGEDLP CC[C@@H](CC#N)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390714569 799472703 /nfs/dbraw/zinc/47/27/03/799472703.db2.gz BTLNTBLQTYEVEH-ROUUACIJSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@H]1C[C@@H]([NH+]2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256536197 806911076 /nfs/dbraw/zinc/91/10/76/806911076.db2.gz FYBDGMJENBQCHJ-LPHOPBHVSA-N 2 2 297.446 3.275 20 30 CGEDLP C[C@H]1C[C@@H]([NH+]2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256536197 806911080 /nfs/dbraw/zinc/91/10/80/806911080.db2.gz FYBDGMJENBQCHJ-LPHOPBHVSA-N 2 2 297.446 3.275 20 30 CGEDLP C=CC[NH+](CC=C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256611457 806925415 /nfs/dbraw/zinc/92/54/15/806925415.db2.gz SIRJONACSVYLDW-UHFFFAOYSA-N 2 2 270.420 3.325 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246022546 804100881 /nfs/dbraw/zinc/10/08/81/804100881.db2.gz KZJRZZXGUQPPJC-MSOLQXFVSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246022546 804100882 /nfs/dbraw/zinc/10/08/82/804100882.db2.gz KZJRZZXGUQPPJC-MSOLQXFVSA-N 2 2 296.499 3.316 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246024628 804100895 /nfs/dbraw/zinc/10/08/95/804100895.db2.gz PHJFEDXNLZOTMD-MSOLQXFVSA-N 2 2 294.483 3.092 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001246024628 804100898 /nfs/dbraw/zinc/10/08/98/804100898.db2.gz PHJFEDXNLZOTMD-MSOLQXFVSA-N 2 2 294.483 3.092 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001246069714 804108066 /nfs/dbraw/zinc/10/80/66/804108066.db2.gz ZDUYDLIYEUEVDQ-QZTJIDSGSA-N 2 2 294.483 3.090 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[N@@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001246069714 804108075 /nfs/dbraw/zinc/10/80/75/804108075.db2.gz ZDUYDLIYEUEVDQ-QZTJIDSGSA-N 2 2 294.483 3.090 20 30 CGEDLP CCCCCCC[C@H](CCC)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246091556 804123965 /nfs/dbraw/zinc/12/39/65/804123965.db2.gz DIQZOXGNAFCDTG-HOTGVXAUSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCC[C@H](C)[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246649844 804477198 /nfs/dbraw/zinc/47/71/98/804477198.db2.gz QEDAYQBATMUZAV-DLBZAZTESA-N 2 2 282.472 3.190 20 30 CGEDLP CCCCCCC[C@H](C)[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246649844 804477202 /nfs/dbraw/zinc/47/72/02/804477202.db2.gz QEDAYQBATMUZAV-DLBZAZTESA-N 2 2 282.472 3.190 20 30 CGEDLP N#CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCCC1 ZINC001167959882 807286094 /nfs/dbraw/zinc/28/60/94/807286094.db2.gz UAIPDMXYZVAAIW-ALOPSCKCSA-N 2 2 287.451 3.065 20 30 CGEDLP N#CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCC1 ZINC001167959882 807286099 /nfs/dbraw/zinc/28/60/99/807286099.db2.gz UAIPDMXYZVAAIW-ALOPSCKCSA-N 2 2 287.451 3.065 20 30 CGEDLP C[C@H](CCCC#N)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172498020 808355793 /nfs/dbraw/zinc/35/57/93/808355793.db2.gz IFOKHPZELOWJAR-OAHLLOKOSA-N 2 2 282.391 3.386 20 30 CGEDLP C[C@H](CCCC#N)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172498020 808355800 /nfs/dbraw/zinc/35/58/00/808355800.db2.gz IFOKHPZELOWJAR-OAHLLOKOSA-N 2 2 282.391 3.386 20 30 CGEDLP C#CCCC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275975391 808981159 /nfs/dbraw/zinc/98/11/59/808981159.db2.gz AYQYXLMNSSNELC-IBGZPJMESA-N 2 2 299.462 3.106 20 30 CGEDLP C#CCCC[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001275975391 808981160 /nfs/dbraw/zinc/98/11/60/808981160.db2.gz AYQYXLMNSSNELC-IBGZPJMESA-N 2 2 299.462 3.106 20 30 CGEDLP C#CCCC[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001275975391 808981163 /nfs/dbraw/zinc/98/11/63/808981163.db2.gz AYQYXLMNSSNELC-IBGZPJMESA-N 2 2 299.462 3.106 20 30 CGEDLP C#CCCC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001275975391 808981164 /nfs/dbraw/zinc/98/11/64/808981164.db2.gz AYQYXLMNSSNELC-IBGZPJMESA-N 2 2 299.462 3.106 20 30 CGEDLP CCCCCCCC[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201840201 811969797 /nfs/dbraw/zinc/96/97/97/811969797.db2.gz OSMGGCMHCAOFLO-JKSUJKDBSA-N 2 2 252.446 3.373 20 30 CGEDLP CCCCCCCC[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201840201 811969802 /nfs/dbraw/zinc/96/98/02/811969802.db2.gz OSMGGCMHCAOFLO-JKSUJKDBSA-N 2 2 252.446 3.373 20 30 CGEDLP CCCCCCCC[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201840201 811969809 /nfs/dbraw/zinc/96/98/09/811969809.db2.gz OSMGGCMHCAOFLO-JKSUJKDBSA-N 2 2 252.446 3.373 20 30 CGEDLP CCCCCCCC[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201840201 811969811 /nfs/dbraw/zinc/96/98/11/811969811.db2.gz OSMGGCMHCAOFLO-JKSUJKDBSA-N 2 2 252.446 3.373 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC001202298642 812058133 /nfs/dbraw/zinc/05/81/33/812058133.db2.gz DAPMCVRIKGRYSQ-BFYDXBDKSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC001202298642 812058142 /nfs/dbraw/zinc/05/81/42/812058142.db2.gz DAPMCVRIKGRYSQ-BFYDXBDKSA-N 2 2 262.441 3.338 20 30 CGEDLP Cc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)ccc1C#N ZINC001242769447 823127785 /nfs/dbraw/zinc/12/77/85/823127785.db2.gz ULVLMGSIDMAWTQ-IBGZPJMESA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)ccc1C#N ZINC001242769447 823127787 /nfs/dbraw/zinc/12/77/87/823127787.db2.gz ULVLMGSIDMAWTQ-IBGZPJMESA-N 2 2 291.398 3.067 20 30 CGEDLP C[NH2+]Cc1ccc(-c2ccc(/[NH+]=C/N(C)C)c(C#N)c2)cc1 ZINC001242994487 823202541 /nfs/dbraw/zinc/20/25/41/823202541.db2.gz ZSDQKHDVYFGCSN-FYJGNVAPSA-N 2 2 292.386 3.166 20 30 CGEDLP CCc1cc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)ccc1C#N ZINC001236470990 819491273 /nfs/dbraw/zinc/49/12/73/819491273.db2.gz LWKPMHATOYCXIT-GOSISDBHSA-N 2 2 285.435 3.083 20 30 CGEDLP CCc1cc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)ccc1C#N ZINC001236470990 819491276 /nfs/dbraw/zinc/49/12/76/819491276.db2.gz LWKPMHATOYCXIT-GOSISDBHSA-N 2 2 285.435 3.083 20 30 CGEDLP C=CC[C@H]1[N@H+](CCc2c[nH+]cn2C)CCCC1(C)C ZINC000297812519 260135636 /nfs/dbraw/zinc/13/56/36/260135636.db2.gz YGLSXZKZLAQNEX-OAHLLOKOSA-N 2 2 261.413 3.029 20 30 CGEDLP C=CC[C@H]1[N@@H+](CCc2c[nH+]cn2C)CCCC1(C)C ZINC000297812519 260135638 /nfs/dbraw/zinc/13/56/38/260135638.db2.gz YGLSXZKZLAQNEX-OAHLLOKOSA-N 2 2 261.413 3.029 20 30 CGEDLP C[C@@H](CC1CC1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593700956 347105579 /nfs/dbraw/zinc/10/55/79/347105579.db2.gz AAZKBTNXMYBUBK-HNNXBMFYSA-N 2 2 297.446 3.301 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@H](C)CCC#N ZINC000602503347 347971514 /nfs/dbraw/zinc/97/15/14/347971514.db2.gz MSMOWVQTJHBBQN-CQSZACIVSA-N 2 2 284.407 3.264 20 30 CGEDLP N#CC1CCC([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000602558888 347981595 /nfs/dbraw/zinc/98/15/95/347981595.db2.gz GDXPSASQSJIQNM-NKELODKYSA-N 2 2 297.446 3.323 20 30 CGEDLP N#CC1CCC([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602558888 347981597 /nfs/dbraw/zinc/98/15/97/347981597.db2.gz GDXPSASQSJIQNM-NKELODKYSA-N 2 2 297.446 3.323 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188971 349996759 /nfs/dbraw/zinc/99/67/59/349996759.db2.gz PTQCZSCUSHKZOK-LZWOXQAQSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188971 349996762 /nfs/dbraw/zinc/99/67/62/349996762.db2.gz PTQCZSCUSHKZOK-LZWOXQAQSA-N 2 2 250.430 3.194 20 30 CGEDLP Cc1ccc(CCC[NH2+]Cc2ccc(C#N)cc2F)c[nH+]1 ZINC000619426374 349247622 /nfs/dbraw/zinc/24/76/22/349247622.db2.gz YXUFGLGMWHFWEE-UHFFFAOYSA-N 2 2 283.350 3.123 20 30 CGEDLP Cc1ccc(CCC[NH2+][C@H]2CCc3cc(C#N)ccc32)c[nH+]1 ZINC000619430993 349249725 /nfs/dbraw/zinc/24/97/25/349249725.db2.gz BOPGFBUNTTUIOF-IBGZPJMESA-N 2 2 291.398 3.471 20 30 CGEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000360838608 283192208 /nfs/dbraw/zinc/19/22/08/283192208.db2.gz UVJWKUAACFLZFQ-LJQANCHMSA-N 2 2 297.446 3.401 20 30 CGEDLP C=C(Cl)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110279 369930960 /nfs/dbraw/zinc/93/09/60/369930960.db2.gz QBTKRBPHCJVPMF-INIZCTEOSA-N 2 2 278.827 3.193 20 30 CGEDLP C=C(Cl)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110279 369930962 /nfs/dbraw/zinc/93/09/62/369930962.db2.gz QBTKRBPHCJVPMF-INIZCTEOSA-N 2 2 278.827 3.193 20 30 CGEDLP C=C(Cl)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110279 369930964 /nfs/dbraw/zinc/93/09/64/369930964.db2.gz QBTKRBPHCJVPMF-INIZCTEOSA-N 2 2 278.827 3.193 20 30 CGEDLP C=C(Cl)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110279 369930966 /nfs/dbraw/zinc/93/09/66/369930966.db2.gz QBTKRBPHCJVPMF-INIZCTEOSA-N 2 2 278.827 3.193 20 30 CGEDLP CC[NH+]1CCC([N@H+](C)CC#Cc2cccc(Cl)c2)CC1 ZINC000154284215 371834455 /nfs/dbraw/zinc/83/44/55/371834455.db2.gz ZRTIEEBBQGASKB-UHFFFAOYSA-N 2 2 290.838 3.108 20 30 CGEDLP CC[NH+]1CCC([N@@H+](C)CC#Cc2cccc(Cl)c2)CC1 ZINC000154284215 371834460 /nfs/dbraw/zinc/83/44/60/371834460.db2.gz ZRTIEEBBQGASKB-UHFFFAOYSA-N 2 2 290.838 3.108 20 30 CGEDLP N#C[C@@H]1CC[C@H]([NH2+][C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000442657872 373060805 /nfs/dbraw/zinc/06/08/05/373060805.db2.gz WBARFZYCHDBRJU-NJAFHUGGSA-N 2 2 283.419 3.105 20 30 CGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000353599134 220183632 /nfs/dbraw/zinc/18/36/32/220183632.db2.gz VTGNEOXRZDJZAJ-MJGOQNOKSA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)CC2 ZINC000353599134 220183635 /nfs/dbraw/zinc/18/36/35/220183635.db2.gz VTGNEOXRZDJZAJ-MJGOQNOKSA-N 2 2 295.430 3.152 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000447590236 373459232 /nfs/dbraw/zinc/45/92/32/373459232.db2.gz AZLIPGLEWFSLJA-IRXDYDNUSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CC1 ZINC000447590236 373459244 /nfs/dbraw/zinc/45/92/44/373459244.db2.gz AZLIPGLEWFSLJA-IRXDYDNUSA-N 2 2 262.441 3.338 20 30 CGEDLP CC(C)(C[NH2+]C1CCC(C)(C#N)CC1)[NH+]1CCCCC1 ZINC000449059422 373659579 /nfs/dbraw/zinc/65/95/79/373659579.db2.gz AMQQMHWVSWHENW-UHFFFAOYSA-N 2 2 277.456 3.313 20 30 CGEDLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449149806 373666411 /nfs/dbraw/zinc/66/64/11/373666411.db2.gz XZZCCVLBYJWMND-CGZBRXJRSA-N 2 2 277.456 3.313 20 30 CGEDLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449149806 373666416 /nfs/dbraw/zinc/66/64/16/373666416.db2.gz XZZCCVLBYJWMND-CGZBRXJRSA-N 2 2 277.456 3.313 20 30 CGEDLP CC1(C#N)CCC([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000449287969 373677136 /nfs/dbraw/zinc/67/71/36/373677136.db2.gz XWQPAUNXRSPKGR-ARWYELJZSA-N 2 2 275.440 3.065 20 30 CGEDLP CC1(C#N)CCC([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000449287969 373677143 /nfs/dbraw/zinc/67/71/43/373677143.db2.gz XWQPAUNXRSPKGR-ARWYELJZSA-N 2 2 275.440 3.065 20 30 CGEDLP C=CC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181971917 374199324 /nfs/dbraw/zinc/19/93/24/374199324.db2.gz IRDOBGBDKJXXNA-OAHLLOKOSA-N 2 2 283.419 3.077 20 30 CGEDLP C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185686567 374714963 /nfs/dbraw/zinc/71/49/63/374714963.db2.gz IZVNNOXTGUDXMD-BEFAXECRSA-N 2 2 293.414 3.339 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ncccc2CC)CC1 ZINC000507486799 375706806 /nfs/dbraw/zinc/70/68/06/375706806.db2.gz PJFIFFJITPAJKI-HNNXBMFYSA-N 2 2 287.451 3.335 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000249085612 377459434 /nfs/dbraw/zinc/45/94/34/377459434.db2.gz BQEDSNOAPAZISC-RVKKMQEKSA-N 2 2 294.402 3.399 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000249085612 377459438 /nfs/dbraw/zinc/45/94/38/377459438.db2.gz BQEDSNOAPAZISC-RVKKMQEKSA-N 2 2 294.402 3.399 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1cc(C#N)cs1 ZINC000093492182 249037979 /nfs/dbraw/zinc/03/79/79/249037979.db2.gz FDGYYONRSWRWQT-UHFFFAOYSA-N 2 2 296.399 3.068 20 30 CGEDLP CCC[NH+](CCC)CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000342859443 377842449 /nfs/dbraw/zinc/84/24/49/377842449.db2.gz FXTCLKHPYYSWLL-UHFFFAOYSA-N 2 2 291.414 3.299 20 30 CGEDLP N#CC1(c2ccccc2)CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000346766192 378687237 /nfs/dbraw/zinc/68/72/37/378687237.db2.gz HSBXHVSDTNMIIY-UHFFFAOYSA-N 2 2 297.446 3.076 20 30 CGEDLP C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000375405566 379496670 /nfs/dbraw/zinc/49/66/70/379496670.db2.gz PUBKJWAYFJNUHH-HZPDHXFCSA-N 2 2 288.439 3.486 20 30 CGEDLP C[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000375405566 379496674 /nfs/dbraw/zinc/49/66/74/379496674.db2.gz PUBKJWAYFJNUHH-HZPDHXFCSA-N 2 2 288.439 3.486 20 30 CGEDLP C=C(C)CC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000351762522 379743466 /nfs/dbraw/zinc/74/34/66/379743466.db2.gz ZLKALODFHIBUOW-UHFFFAOYSA-N 2 2 261.413 3.342 20 30 CGEDLP C=CCOCC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339057346 392943434 /nfs/dbraw/zinc/94/34/34/392943434.db2.gz RTCQTGRGLCKUFN-INIZCTEOSA-N 2 2 299.418 3.012 20 30 CGEDLP C=CCOCC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000339057346 392943442 /nfs/dbraw/zinc/94/34/42/392943442.db2.gz RTCQTGRGLCKUFN-INIZCTEOSA-N 2 2 299.418 3.012 20 30 CGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000349377546 393145896 /nfs/dbraw/zinc/14/58/96/393145896.db2.gz JKZJCILCUIJNQO-ATLSCFEFSA-N 2 2 283.419 3.104 20 30 CGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000349377546 393145907 /nfs/dbraw/zinc/14/59/07/393145907.db2.gz JKZJCILCUIJNQO-ATLSCFEFSA-N 2 2 283.419 3.104 20 30 CGEDLP C[NH+](C)C(C)(C)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000346763699 225913924 /nfs/dbraw/zinc/91/39/24/225913924.db2.gz WLWRDYAVOGEJHI-UHFFFAOYSA-N 2 2 299.462 3.320 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCC[C@H](OC)C1)C(C)C ZINC000684369438 543987097 /nfs/dbraw/zinc/98/70/97/543987097.db2.gz OOQMLSGYLBUIHZ-FGTMMUONSA-N 2 2 294.483 3.232 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000684954660 544043646 /nfs/dbraw/zinc/04/36/46/544043646.db2.gz CUQSCVLKSCGFBS-QGZVFWFLSA-N 2 2 285.435 3.089 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000657561531 419304311 /nfs/dbraw/zinc/30/43/11/419304311.db2.gz BBJHDRXECOVDHD-QLFBSQMISA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000657561531 419304315 /nfs/dbraw/zinc/30/43/15/419304315.db2.gz BBJHDRXECOVDHD-QLFBSQMISA-N 2 2 250.430 3.194 20 30 CGEDLP C=C(C)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322038 264305207 /nfs/dbraw/zinc/30/52/07/264305207.db2.gz IDPMPCPGPWZWPJ-UHFFFAOYSA-N 2 2 258.409 3.159 20 30 CGEDLP C=C(C)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322038 264305208 /nfs/dbraw/zinc/30/52/08/264305208.db2.gz IDPMPCPGPWZWPJ-UHFFFAOYSA-N 2 2 258.409 3.159 20 30 CGEDLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(C#N)CCC3)CC2)C1 ZINC000418136514 267368819 /nfs/dbraw/zinc/36/88/19/267368819.db2.gz CJLUWZZENRZVIH-NVXWUHKLSA-N 2 2 289.467 3.313 20 30 CGEDLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C#N)cc1F ZINC000543762051 288819333 /nfs/dbraw/zinc/81/93/33/288819333.db2.gz UWBYGUXLRCOARG-ZDUSSCGKSA-N 2 2 286.354 3.025 20 30 CGEDLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(C#N)c(F)c1 ZINC000551811067 289134625 /nfs/dbraw/zinc/13/46/25/289134625.db2.gz DBZDFPFWKINJJP-GFCCVEGCSA-N 2 2 298.365 3.081 20 30 CGEDLP C=CCCC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000571508562 328129092 /nfs/dbraw/zinc/12/90/92/328129092.db2.gz IYWFPQIAVPEBJC-WBVHZDCISA-N 2 2 258.409 3.378 20 30 CGEDLP C=CCCC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000571508562 328129094 /nfs/dbraw/zinc/12/90/94/328129094.db2.gz IYWFPQIAVPEBJC-WBVHZDCISA-N 2 2 258.409 3.378 20 30 CGEDLP CC[C@@H](CC#N)[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000184086575 329255865 /nfs/dbraw/zinc/25/58/65/329255865.db2.gz HOWXPJURDPANFO-KRWDZBQOSA-N 2 2 287.451 3.426 20 30 CGEDLP CC[C@@H](CC#N)[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000184086575 329255866 /nfs/dbraw/zinc/25/58/66/329255866.db2.gz HOWXPJURDPANFO-KRWDZBQOSA-N 2 2 287.451 3.426 20 30 CGEDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000423234697 330180906 /nfs/dbraw/zinc/18/09/06/330180906.db2.gz FUBDKNHYYZUCHV-ZTFGCOKTSA-N 2 2 285.435 3.482 20 30 CGEDLP CC1(C#N)CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527807733 330284565 /nfs/dbraw/zinc/28/45/65/330284565.db2.gz IRRTVHYIOPUTBU-WIHSUSGWSA-N 2 2 275.440 3.065 20 30 CGEDLP CC1(C#N)CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527807733 330284566 /nfs/dbraw/zinc/28/45/66/330284566.db2.gz IRRTVHYIOPUTBU-WIHSUSGWSA-N 2 2 275.440 3.065 20 30 CGEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459684021 331294205 /nfs/dbraw/zinc/29/42/05/331294205.db2.gz BOPMHVXACQCFCU-DOTOQJQBSA-N 2 2 285.435 3.351 20 30 CGEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459684021 331294206 /nfs/dbraw/zinc/29/42/06/331294206.db2.gz BOPMHVXACQCFCU-DOTOQJQBSA-N 2 2 285.435 3.351 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H](C)[C@@]1(C)CCCO1)C(C)C ZINC000551266174 334243799 /nfs/dbraw/zinc/24/37/99/334243799.db2.gz XLCHVVZHIMFRJJ-RCCFBDPRSA-N 2 2 294.483 3.232 20 30 CGEDLP C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000248757324 334316101 /nfs/dbraw/zinc/31/61/01/334316101.db2.gz CUWBAMYUPDQWQF-BURFUSLBSA-N 2 2 285.435 3.350 20 30 CGEDLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(C#N)cc1 ZINC000181672704 335777511 /nfs/dbraw/zinc/77/75/11/335777511.db2.gz SDQNKTMNBPIGOD-HNNXBMFYSA-N 2 2 294.402 3.496 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H](OC)c2ccccc2)CC1 ZINC000279745449 518860589 /nfs/dbraw/zinc/86/05/89/518860589.db2.gz PJOIBWHIBZSXNC-YJBOKZPZSA-N 2 2 288.435 3.003 20 30 CGEDLP C=CCC[C@H](CC)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348832600 527466624 /nfs/dbraw/zinc/46/66/24/527466624.db2.gz JNQLASOWHBOFGP-HNNXBMFYSA-N 2 2 270.380 3.483 20 30 CGEDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(Cl)cc2C#N)CC1 ZINC000359861340 535457447 /nfs/dbraw/zinc/45/74/47/535457447.db2.gz ZHBGSELRYATMPX-UHFFFAOYSA-N 2 2 291.826 3.128 20 30 CGEDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(Cl)cc2C#N)CC1 ZINC000359861340 535457450 /nfs/dbraw/zinc/45/74/50/535457450.db2.gz ZHBGSELRYATMPX-UHFFFAOYSA-N 2 2 291.826 3.128 20 30 CGEDLP C#CCCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000761311889 627031683 /nfs/dbraw/zinc/03/16/83/627031683.db2.gz SVAJZTWAZOJYLT-SFHVURJKSA-N 2 2 284.447 3.433 20 30 CGEDLP C#CCCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000761311889 627031685 /nfs/dbraw/zinc/03/16/85/627031685.db2.gz SVAJZTWAZOJYLT-SFHVURJKSA-N 2 2 284.447 3.433 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000815651947 631813984 /nfs/dbraw/zinc/81/39/84/631813984.db2.gz JQNABLHLAGVMAG-KRWDZBQOSA-N 2 2 294.389 3.207 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1cc(F)ccc1F)C(C)C ZINC000815651947 631813991 /nfs/dbraw/zinc/81/39/91/631813991.db2.gz JQNABLHLAGVMAG-KRWDZBQOSA-N 2 2 294.389 3.207 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939480 632239267 /nfs/dbraw/zinc/23/92/67/632239267.db2.gz BRBDMJNULJEAPD-MAUKXSAKSA-N 2 2 289.467 3.477 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccco1 ZINC000925779318 638610548 /nfs/dbraw/zinc/61/05/48/638610548.db2.gz WYOQDHWDWRQFHZ-CHWSQXEVSA-N 2 2 284.350 3.121 20 30 CGEDLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCCC1(C#N)CCC1 ZINC000931621348 639180658 /nfs/dbraw/zinc/18/06/58/639180658.db2.gz KBFNGWPCUFMFKJ-HZPDHXFCSA-N 2 2 275.440 3.019 20 30 CGEDLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCCC1(C#N)CCC1 ZINC000931621348 639180661 /nfs/dbraw/zinc/18/06/61/639180661.db2.gz KBFNGWPCUFMFKJ-HZPDHXFCSA-N 2 2 275.440 3.019 20 30 CGEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCCC1(C#N)CCC1 ZINC000931621348 639180667 /nfs/dbraw/zinc/18/06/67/639180667.db2.gz KBFNGWPCUFMFKJ-HZPDHXFCSA-N 2 2 275.440 3.019 20 30 CGEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCCC1(C#N)CCC1 ZINC000931621348 639180669 /nfs/dbraw/zinc/18/06/69/639180669.db2.gz KBFNGWPCUFMFKJ-HZPDHXFCSA-N 2 2 275.440 3.019 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001253254235 806197628 /nfs/dbraw/zinc/19/76/28/806197628.db2.gz AKEONMFMZXYUNR-ZWKOTPCHSA-N 2 2 296.499 3.194 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001253254235 806197630 /nfs/dbraw/zinc/19/76/30/806197630.db2.gz AKEONMFMZXYUNR-ZWKOTPCHSA-N 2 2 296.499 3.194 20 30 CGEDLP C[NH+]1CCC([N@H+](C2CCCC2)[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254680765 806485384 /nfs/dbraw/zinc/48/53/84/806485384.db2.gz ZWAJHBMKMAGIMB-RHSMWYFYSA-N 2 2 275.440 3.017 20 30 CGEDLP C[NH+]1CCC([N@@H+](C2CCCC2)[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254680765 806485388 /nfs/dbraw/zinc/48/53/88/806485388.db2.gz ZWAJHBMKMAGIMB-RHSMWYFYSA-N 2 2 275.440 3.017 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255130213 806550593 /nfs/dbraw/zinc/55/05/93/806550593.db2.gz RZNDTNBTNLKFRV-MKXGPGLRSA-N 2 2 297.446 3.464 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130213 806550596 /nfs/dbraw/zinc/55/05/96/806550596.db2.gz RZNDTNBTNLKFRV-MKXGPGLRSA-N 2 2 297.446 3.464 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255388791 806629699 /nfs/dbraw/zinc/62/96/99/806629699.db2.gz HTFFGBCVSOYUCQ-MSOLQXFVSA-N 2 2 285.435 3.323 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388791 806629706 /nfs/dbraw/zinc/62/97/06/806629706.db2.gz HTFFGBCVSOYUCQ-MSOLQXFVSA-N 2 2 285.435 3.323 20 30 CGEDLP N#Cc1ccc2cc[nH+]c(NC3CC4(C3)CCC[NH2+]C4)c2c1 ZINC001162981686 806689038 /nfs/dbraw/zinc/68/90/38/806689038.db2.gz MPUDQWLQSYRQQY-UHFFFAOYSA-N 2 2 292.386 3.051 20 30 CGEDLP C=C(C)COc1ccccc1C[N@@H+](C)CCC[NH+](C)C ZINC001138662884 803996052 /nfs/dbraw/zinc/99/60/52/803996052.db2.gz GKKCCFUHJAHPPV-UHFFFAOYSA-N 2 2 276.424 3.025 20 30 CGEDLP C=C(C)COc1ccccc1C[N@H+](C)CCC[NH+](C)C ZINC001138662884 803996055 /nfs/dbraw/zinc/99/60/55/803996055.db2.gz GKKCCFUHJAHPPV-UHFFFAOYSA-N 2 2 276.424 3.025 20 30 CGEDLP CCCCCCCC[C@@H](O)C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC001245996533 804095327 /nfs/dbraw/zinc/09/53/27/804095327.db2.gz VSQGAORGRXNDPB-MSOLQXFVSA-N 2 2 292.467 3.388 20 30 CGEDLP CCCCCCCCCC[C@@H](C)[NH2+][C@@H]1COC[C@@H]1[NH3+] ZINC001246123467 804152626 /nfs/dbraw/zinc/15/26/26/804152626.db2.gz UTWLUJBEZACYFY-OWCLPIDISA-N 2 2 270.461 3.221 20 30 CGEDLP CCCCCCCC[C@H](CC)[NH2+][C@H]1CCOC12C[NH2+]C2 ZINC001246131106 804157458 /nfs/dbraw/zinc/15/74/58/804157458.db2.gz XAOFBMIBYPEDKX-HOTGVXAUSA-N 2 2 282.472 3.236 20 30 CGEDLP CCCCCCC[C@H](C)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246141015 804163736 /nfs/dbraw/zinc/16/37/36/804163736.db2.gz HTLIDSAUYMUZJR-DLBZAZTESA-N 3 2 295.515 3.199 20 30 CGEDLP CCCCCCCCCC[C@H](C)[NH2+]CC[NH2+]CCO ZINC001246380245 804314132 /nfs/dbraw/zinc/31/41/32/804314132.db2.gz UUZWUHJSBFVBPM-INIZCTEOSA-N 2 2 272.477 3.077 20 30 CGEDLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCC(S)CC1 ZINC001140026167 804354503 /nfs/dbraw/zinc/35/45/03/804354503.db2.gz ICXNUKRYFGSUMI-UHFFFAOYSA-N 2 2 287.432 3.075 20 30 CGEDLP CCCC[C@@H]1C[C@@H]([N@@H+](CCC#N)CCCC)CC[NH2+]1 ZINC001246770256 804502441 /nfs/dbraw/zinc/50/24/41/804502441.db2.gz OWITWZFSUSOWNA-CVEARBPZSA-N 2 2 265.445 3.313 20 30 CGEDLP CCCC[C@@H]1C[C@@H]([N@H+](CCC#N)CCCC)CC[NH2+]1 ZINC001246770256 804502445 /nfs/dbraw/zinc/50/24/45/804502445.db2.gz OWITWZFSUSOWNA-CVEARBPZSA-N 2 2 265.445 3.313 20 30 CGEDLP CC(C)[NH+]1CCC(CNc2cc(C3(C#N)CC3)cc[nH+]2)CC1 ZINC001166615697 807069986 /nfs/dbraw/zinc/06/99/86/807069986.db2.gz HUHBRJCUWLHGJV-UHFFFAOYSA-N 2 2 298.434 3.169 20 30 CGEDLP C=C1C[C@@H]2CC([NH2+]CCOc3cc[nH+]cc3)C[C@H](C1)C2 ZINC001257889520 807239701 /nfs/dbraw/zinc/23/97/01/807239701.db2.gz CSXGMKAHAQJTOP-XYPWUTKMSA-N 2 2 272.392 3.185 20 30 CGEDLP CC(C)C[NH+]1CCC([N@@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001258010471 807264375 /nfs/dbraw/zinc/26/43/75/807264375.db2.gz BQNWBZYLGXJXRR-UHFFFAOYSA-N 2 2 297.446 3.037 20 30 CGEDLP CC(C)C[NH+]1CCC([N@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001258010471 807264380 /nfs/dbraw/zinc/26/43/80/807264380.db2.gz BQNWBZYLGXJXRR-UHFFFAOYSA-N 2 2 297.446 3.037 20 30 CGEDLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@](C)(C#N)CC(C)C ZINC001258908401 807672875 /nfs/dbraw/zinc/67/28/75/807672875.db2.gz YYDIWXLQZUDVJR-JKSUJKDBSA-N 2 2 267.461 3.415 20 30 CGEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001171192780 808005769 /nfs/dbraw/zinc/00/57/69/808005769.db2.gz AZNPINRHMFLHER-YJBOKZPZSA-N 2 2 299.462 3.199 20 30 CGEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001171192780 808005778 /nfs/dbraw/zinc/00/57/78/808005778.db2.gz AZNPINRHMFLHER-YJBOKZPZSA-N 2 2 299.462 3.199 20 30 CGEDLP C#Cc1cc(Nc2cc(C[NH+](CC)CC)ccc2F)cc[nH+]1 ZINC001215723515 815565622 /nfs/dbraw/zinc/56/56/22/815565622.db2.gz MYSZNYGYAFMDGO-UHFFFAOYSA-N 2 2 297.377 3.209 20 30 CGEDLP C#C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236915873 819636768 /nfs/dbraw/zinc/63/67/68/819636768.db2.gz GBOBGKXCIKWWEF-AWEZNQCLSA-N 2 2 299.805 3.371 20 30 CGEDLP C#C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236915873 819636773 /nfs/dbraw/zinc/63/67/73/819636773.db2.gz GBOBGKXCIKWWEF-AWEZNQCLSA-N 2 2 299.805 3.371 20 30 CGEDLP C#CCCCCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001474605018 937869953 /nfs/dbraw/zinc/86/99/53/937869953.db2.gz QXDQMDFANYWOOW-IAGOWNOFSA-N 2 2 262.441 3.177 20 30 CGEDLP C#CCCCCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001474605018 937869954 /nfs/dbraw/zinc/86/99/54/937869954.db2.gz QXDQMDFANYWOOW-IAGOWNOFSA-N 2 2 262.441 3.177 20 30 CGEDLP N#Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC001580078381 962689596 /nfs/dbraw/zinc/68/95/96/962689596.db2.gz WLRPOFXWMDZWQI-SFHVURJKSA-N 2 2 291.398 3.148 20 30 CGEDLP N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC001580078381 962689605 /nfs/dbraw/zinc/68/96/05/962689605.db2.gz WLRPOFXWMDZWQI-SFHVURJKSA-N 2 2 291.398 3.148 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000651681851 398268709 /nfs/dbraw/zinc/26/87/09/398268709.db2.gz BCBDWZIUFAKMCD-APWZRJJASA-N 2 2 299.462 3.380 20 30 CGEDLP C=CCCC[C@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000091595329 345818490 /nfs/dbraw/zinc/81/84/90/345818490.db2.gz NSFKKCPTROHJOG-HOCLYGCPSA-N 2 2 260.381 3.280 20 30 CGEDLP C=CCCC[C@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000091595329 345818491 /nfs/dbraw/zinc/81/84/91/345818491.db2.gz NSFKKCPTROHJOG-HOCLYGCPSA-N 2 2 260.381 3.280 20 30 CGEDLP N#CC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000593649410 347099253 /nfs/dbraw/zinc/09/92/53/347099253.db2.gz BYGKWBFFFDFPBN-UHFFFAOYSA-N 2 2 280.375 3.046 20 30 CGEDLP CC1(C)CC([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593695598 347104406 /nfs/dbraw/zinc/10/44/06/347104406.db2.gz RTKGIARSXXLTAV-UHFFFAOYSA-N 2 2 297.446 3.301 20 30 CGEDLP C[C@H](CC1CC1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593700957 347105450 /nfs/dbraw/zinc/10/54/50/347105450.db2.gz AAZKBTNXMYBUBK-OAHLLOKOSA-N 2 2 297.446 3.301 20 30 CGEDLP C[C@H](CCC#N)C[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000602456589 347960861 /nfs/dbraw/zinc/96/08/61/347960861.db2.gz ZTYAICKUTVMVOA-NCOADZHNSA-N 2 2 277.456 3.263 20 30 CGEDLP C[C@H](CCC#N)C[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000602456589 347960863 /nfs/dbraw/zinc/96/08/63/347960863.db2.gz ZTYAICKUTVMVOA-NCOADZHNSA-N 2 2 277.456 3.263 20 30 CGEDLP C[C@H](CCC#N)C[NH+]1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000602456589 347960866 /nfs/dbraw/zinc/96/08/66/347960866.db2.gz ZTYAICKUTVMVOA-NCOADZHNSA-N 2 2 277.456 3.263 20 30 CGEDLP C[C@H](CCC#N)C[NH+]1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000602456589 347960867 /nfs/dbraw/zinc/96/08/67/347960867.db2.gz ZTYAICKUTVMVOA-NCOADZHNSA-N 2 2 277.456 3.263 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000602568277 347984389 /nfs/dbraw/zinc/98/43/89/347984389.db2.gz IPSSBONOZCAYMA-RYRKJORJSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000602568277 347984395 /nfs/dbraw/zinc/98/43/95/347984395.db2.gz IPSSBONOZCAYMA-RYRKJORJSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000602580601 347987197 /nfs/dbraw/zinc/98/71/97/347987197.db2.gz FPHTXFQZWPNVLF-HZPDHXFCSA-N 2 2 273.424 3.036 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000602580601 347987200 /nfs/dbraw/zinc/98/72/00/347987200.db2.gz FPHTXFQZWPNVLF-HZPDHXFCSA-N 2 2 273.424 3.036 20 30 CGEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602607472 347993164 /nfs/dbraw/zinc/99/31/64/347993164.db2.gz LBCGKHVMNNVYRB-KYJSFNMBSA-N 2 2 283.419 3.104 20 30 CGEDLP C[C@H](C#N)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602607472 347993165 /nfs/dbraw/zinc/99/31/65/347993165.db2.gz LBCGKHVMNNVYRB-KYJSFNMBSA-N 2 2 283.419 3.104 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000602548653 347979971 /nfs/dbraw/zinc/97/99/71/347979971.db2.gz USNXWRNQGIPTEZ-SJLPKXTDSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000602548653 347979974 /nfs/dbraw/zinc/97/99/74/347979974.db2.gz USNXWRNQGIPTEZ-SJLPKXTDSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000602562676 347983089 /nfs/dbraw/zinc/98/30/89/347983089.db2.gz XWTQBSUAGFHXSU-AEFFLSMTSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000602562676 347983093 /nfs/dbraw/zinc/98/30/93/347983093.db2.gz XWTQBSUAGFHXSU-AEFFLSMTSA-N 2 2 285.435 3.180 20 30 CGEDLP Cc1cccn2c(C[NH2+][C@H](C)c3cccc(C#N)c3)c[nH+]c12 ZINC000610345155 348377054 /nfs/dbraw/zinc/37/70/54/348377054.db2.gz VHCWLXRZELYQRO-CQSZACIVSA-N 2 2 290.370 3.365 20 30 CGEDLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000618568470 349107488 /nfs/dbraw/zinc/10/74/88/349107488.db2.gz WFLNRPWLOVZDIV-ROUUACIJSA-N 2 2 283.419 3.083 20 30 CGEDLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000618568470 349107489 /nfs/dbraw/zinc/10/74/89/349107489.db2.gz WFLNRPWLOVZDIV-ROUUACIJSA-N 2 2 283.419 3.083 20 30 CGEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1Cl ZINC000629396256 350688130 /nfs/dbraw/zinc/68/81/30/350688130.db2.gz JSAXGJHDGSFASW-TZMCWYRMSA-N 2 2 294.826 3.135 20 30 CGEDLP Clc1cccc(C#CC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000156440445 188262490 /nfs/dbraw/zinc/26/24/90/188262490.db2.gz LTLLOMGYCHCEBI-UHFFFAOYSA-N 2 2 299.805 3.225 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289068341 371750131 /nfs/dbraw/zinc/75/01/31/371750131.db2.gz AYJPASYWPSDETR-BPQIPLTHSA-N 2 2 285.435 3.179 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289068341 371750138 /nfs/dbraw/zinc/75/01/38/371750138.db2.gz AYJPASYWPSDETR-BPQIPLTHSA-N 2 2 285.435 3.179 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@H](CC(C)C)[NH+](C)C)C1CC1 ZINC000439090170 372972704 /nfs/dbraw/zinc/97/27/04/372972704.db2.gz XWQQCMDCDSHPOU-JKSUJKDBSA-N 2 2 252.446 3.297 20 30 CGEDLP C=CCCCC[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000449073295 373658310 /nfs/dbraw/zinc/65/83/10/373658310.db2.gz HVRBFVBGLAGSLF-OAHLLOKOSA-N 2 2 275.440 3.486 20 30 CGEDLP C=C(C)CC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449475217 373761876 /nfs/dbraw/zinc/76/18/76/373761876.db2.gz KZMABUHOZSVRDC-RDJZCZTQSA-N 2 2 258.409 3.378 20 30 CGEDLP C=C(C)CC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449475217 373761880 /nfs/dbraw/zinc/76/18/80/373761880.db2.gz KZMABUHOZSVRDC-RDJZCZTQSA-N 2 2 258.409 3.378 20 30 CGEDLP C=CC(C)(C)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449486708 373777592 /nfs/dbraw/zinc/77/75/92/373777592.db2.gz UUVGPYCVGVAHJR-UHFFFAOYSA-N 2 2 278.362 3.205 20 30 CGEDLP C[C@H]([NH2+]Cc1ccccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183102602 374371551 /nfs/dbraw/zinc/37/15/51/374371551.db2.gz YEHYCNOAPFMGHD-MAUKXSAKSA-N 2 2 297.446 3.301 20 30 CGEDLP C[C@H]([NH2+]Cc1ccccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102602 374371559 /nfs/dbraw/zinc/37/15/59/374371559.db2.gz YEHYCNOAPFMGHD-MAUKXSAKSA-N 2 2 297.446 3.301 20 30 CGEDLP C[C@H](C#N)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000183818228 374461599 /nfs/dbraw/zinc/46/15/99/374461599.db2.gz LSSGAFLUNDINRQ-CYBMUJFWSA-N 2 2 291.826 3.054 20 30 CGEDLP N#C[C@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000185848325 374750984 /nfs/dbraw/zinc/75/09/84/374750984.db2.gz HYXNPJMMHNTTJM-OTWHNJEPSA-N 2 2 297.446 3.323 20 30 CGEDLP N#C[C@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000185848325 374750994 /nfs/dbraw/zinc/75/09/94/374750994.db2.gz HYXNPJMMHNTTJM-OTWHNJEPSA-N 2 2 297.446 3.323 20 30 CGEDLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000336096250 375683881 /nfs/dbraw/zinc/68/38/81/375683881.db2.gz XPIOKURHLMRJRY-KDOFPFPSSA-N 2 2 294.402 3.146 20 30 CGEDLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1C#N ZINC000336096250 375683887 /nfs/dbraw/zinc/68/38/87/375683887.db2.gz XPIOKURHLMRJRY-KDOFPFPSSA-N 2 2 294.402 3.146 20 30 CGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1Cl ZINC000516082856 375817719 /nfs/dbraw/zinc/81/77/19/375817719.db2.gz FKFSCKDYJDHVOW-TZMCWYRMSA-N 2 2 294.826 3.216 20 30 CGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1Cl ZINC000516082856 375817725 /nfs/dbraw/zinc/81/77/25/375817725.db2.gz FKFSCKDYJDHVOW-TZMCWYRMSA-N 2 2 294.826 3.216 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)C[C@@H]2CC)CC1 ZINC000246872614 377108171 /nfs/dbraw/zinc/10/81/71/377108171.db2.gz STQBIJXCANKLEP-HLLBOEOZSA-N 2 2 264.457 3.441 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248892266 377423434 /nfs/dbraw/zinc/42/34/34/377423434.db2.gz STUMCBKNTMRVPM-QRVBRYPASA-N 2 2 297.446 3.323 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000248892266 377423437 /nfs/dbraw/zinc/42/34/37/377423437.db2.gz STUMCBKNTMRVPM-QRVBRYPASA-N 2 2 297.446 3.323 20 30 CGEDLP C=CCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000272874752 378715850 /nfs/dbraw/zinc/71/58/50/378715850.db2.gz UEWDLAJXLXFFMB-AWEZNQCLSA-N 2 2 255.365 3.489 20 30 CGEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000414310881 380213277 /nfs/dbraw/zinc/21/32/77/380213277.db2.gz XHXZGCMEJGLDKV-KBAYOESNSA-N 2 2 284.447 3.389 20 30 CGEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000414310881 380213284 /nfs/dbraw/zinc/21/32/84/380213284.db2.gz XHXZGCMEJGLDKV-KBAYOESNSA-N 2 2 284.447 3.389 20 30 CGEDLP C=C(C[NH2+]Cc1cccc2[nH+]ccn21)c1ccccc1 ZINC000354291040 380388491 /nfs/dbraw/zinc/38/84/91/380388491.db2.gz ZQQOBWSAATUWEK-UHFFFAOYSA-N 2 2 263.344 3.137 20 30 CGEDLP CC(C)(CCC#N)C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000355704663 380755936 /nfs/dbraw/zinc/75/59/36/380755936.db2.gz ZCSKMZAOADLCLS-UHFFFAOYSA-N 2 2 282.391 3.292 20 30 CGEDLP CC(C)[NH2+]C1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000189950457 130043976 /nfs/dbraw/zinc/04/39/76/130043976.db2.gz HRVHIWWEWUZAMS-AWEZNQCLSA-N 2 2 271.408 3.082 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C)c(Cl)c2)CC1 ZINC000195441936 130743932 /nfs/dbraw/zinc/74/39/32/130743932.db2.gz MASRWHRVGQJGCV-UHFFFAOYSA-N 2 2 278.827 3.388 20 30 CGEDLP C=CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC000089426379 392227632 /nfs/dbraw/zinc/22/76/32/392227632.db2.gz VBGCEHIBUGRKSP-GOSISDBHSA-N 2 2 283.419 3.031 20 30 CGEDLP C=CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC000089426379 392227638 /nfs/dbraw/zinc/22/76/38/392227638.db2.gz VBGCEHIBUGRKSP-GOSISDBHSA-N 2 2 283.419 3.031 20 30 CGEDLP C=CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(C#N)c1 ZINC000089426379 392227643 /nfs/dbraw/zinc/22/76/43/392227643.db2.gz VBGCEHIBUGRKSP-GOSISDBHSA-N 2 2 283.419 3.031 20 30 CGEDLP C=CC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(C#N)c1 ZINC000089426379 392227648 /nfs/dbraw/zinc/22/76/48/392227648.db2.gz VBGCEHIBUGRKSP-GOSISDBHSA-N 2 2 283.419 3.031 20 30 CGEDLP CC(C)[NH2+]C1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118397476 392393023 /nfs/dbraw/zinc/39/30/23/392393023.db2.gz WCXLCPPJJYVRHD-CQSZACIVSA-N 2 2 271.408 3.082 20 30 CGEDLP C[C@@H]1C[C@H]([NH+](C)CC#Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000154297666 392535451 /nfs/dbraw/zinc/53/54/51/392535451.db2.gz NKFJILQXFUOAIX-RHSMWYFYSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@@H]1C[C@H]([NH+](C)CC#Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000154297666 392535453 /nfs/dbraw/zinc/53/54/53/392535453.db2.gz NKFJILQXFUOAIX-RHSMWYFYSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@@H]1C[C@H]([N@H+](C)CC#Cc2cccc(Cl)c2)CC[NH+]1C ZINC000154297666 392535455 /nfs/dbraw/zinc/53/54/55/392535455.db2.gz NKFJILQXFUOAIX-RHSMWYFYSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@@H]1C[C@H]([N@@H+](C)CC#Cc2cccc(Cl)c2)CC[NH+]1C ZINC000154297666 392535459 /nfs/dbraw/zinc/53/54/59/392535459.db2.gz NKFJILQXFUOAIX-RHSMWYFYSA-N 2 2 290.838 3.106 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655851187 419122021 /nfs/dbraw/zinc/12/20/21/419122021.db2.gz QFHKIBBKELKHSZ-YYIAUSFCSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655851187 419122023 /nfs/dbraw/zinc/12/20/23/419122023.db2.gz QFHKIBBKELKHSZ-YYIAUSFCSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000657901858 419427667 /nfs/dbraw/zinc/42/76/67/419427667.db2.gz HAOFHNKLPLGBIQ-AIANPOQGSA-N 2 2 262.441 3.336 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000657901858 419427680 /nfs/dbraw/zinc/42/76/80/419427680.db2.gz HAOFHNKLPLGBIQ-AIANPOQGSA-N 2 2 262.441 3.336 20 30 CGEDLP C=CCOc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1Cl ZINC000414788921 263048014 /nfs/dbraw/zinc/04/80/14/263048014.db2.gz NPIFQFMWXUFZGM-UHFFFAOYSA-N 2 2 294.826 3.218 20 30 CGEDLP C=CCOc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1Cl ZINC000414788921 263048015 /nfs/dbraw/zinc/04/80/15/263048015.db2.gz NPIFQFMWXUFZGM-UHFFFAOYSA-N 2 2 294.826 3.218 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000162044241 264306097 /nfs/dbraw/zinc/30/60/97/264306097.db2.gz BWFNDSPCBOYNDO-UHFFFAOYSA-N 2 2 280.362 3.095 20 30 CGEDLP N#Cc1ccc2[nH+]cc(CNc3cccc4cc[nH+]cc43)n2c1 ZINC000551803136 289134001 /nfs/dbraw/zinc/13/40/01/289134001.db2.gz JBIYHBBLLBEJSC-UHFFFAOYSA-N 2 2 299.337 3.366 20 30 CGEDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CCC(C)(C#N)CC1 ZINC000423503897 330208370 /nfs/dbraw/zinc/20/83/70/330208370.db2.gz NEJPQYPQRNTQML-NXYGQSRBSA-N 2 2 285.435 3.311 20 30 CGEDLP CC1(C#N)CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527753808 330281190 /nfs/dbraw/zinc/28/11/90/330281190.db2.gz UVZNGNJCMHHGFQ-IIIMJFFVSA-N 2 2 289.467 3.455 20 30 CGEDLP CC1(C#N)CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527753808 330281191 /nfs/dbraw/zinc/28/11/91/330281191.db2.gz UVZNGNJCMHHGFQ-IIIMJFFVSA-N 2 2 289.467 3.455 20 30 CGEDLP C=CCC[NH+](C)[C@H]1CCCC[C@@H]1[N@H+](C)CCC=C ZINC000545922471 334006329 /nfs/dbraw/zinc/00/63/29/334006329.db2.gz QMSMATFWFGDSIO-HOTGVXAUSA-N 2 2 250.430 3.313 20 30 CGEDLP C=CCC[NH+](C)[C@H]1CCCC[C@@H]1[N@@H+](C)CCC=C ZINC000545922471 334006330 /nfs/dbraw/zinc/00/63/30/334006330.db2.gz QMSMATFWFGDSIO-HOTGVXAUSA-N 2 2 250.430 3.313 20 30 CGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+]CC1(C)CC1)C(C)C ZINC000555525711 334480531 /nfs/dbraw/zinc/48/05/31/334480531.db2.gz CSGKCTHQHXJAFN-HNNXBMFYSA-N 2 2 250.430 3.075 20 30 CGEDLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000775396058 628090271 /nfs/dbraw/zinc/09/02/71/628090271.db2.gz WYOBDWVKNJXVPX-KBXCAEBGSA-N 2 2 283.419 3.010 20 30 CGEDLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000775396058 628090274 /nfs/dbraw/zinc/09/02/74/628090274.db2.gz WYOBDWVKNJXVPX-KBXCAEBGSA-N 2 2 283.419 3.010 20 30 CGEDLP c1cnn([NH+]=C2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000863163605 629486941 /nfs/dbraw/zinc/48/69/41/629486941.db2.gz KJWLCTCTZMJQHH-QGZVFWFLSA-N 2 2 280.375 3.087 20 30 CGEDLP c1cnn([NH+]=C2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000863163605 629486943 /nfs/dbraw/zinc/48/69/43/629486943.db2.gz KJWLCTCTZMJQHH-QGZVFWFLSA-N 2 2 280.375 3.087 20 30 CGEDLP C=CCCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939479 632239624 /nfs/dbraw/zinc/23/96/24/632239624.db2.gz BRBDMJNULJEAPD-CRAIPNDOSA-N 2 2 289.467 3.477 20 30 CGEDLP Cc1[nH]c(C2CC[NH+](Cc3ccccc3C#N)CC2)[nH+]c1C ZINC000886662449 637639433 /nfs/dbraw/zinc/63/94/33/637639433.db2.gz DQGMQWIFRODLRI-UHFFFAOYSA-N 2 2 294.402 3.278 20 30 CGEDLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000886716244 637669887 /nfs/dbraw/zinc/66/98/87/637669887.db2.gz SVHPDQXNETUMQK-UHFFFAOYSA-N 2 2 297.446 3.317 20 30 CGEDLP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000929803034 638952869 /nfs/dbraw/zinc/95/28/69/638952869.db2.gz APLXVXCCTQZJEH-UHFFFAOYSA-N 2 2 294.402 3.278 20 30 CGEDLP N#CCCC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933549212 639459733 /nfs/dbraw/zinc/45/97/33/639459733.db2.gz DSESXOSQUWWFMB-UHFFFAOYSA-N 2 2 297.446 3.377 20 30 CGEDLP N#Cc1ccc2cc[nH+]c(NCC34CC[NH+](CC3)CC4)c2c1 ZINC001158826642 806010334 /nfs/dbraw/zinc/01/03/34/806010334.db2.gz FGKFTPQAZQROIR-UHFFFAOYSA-N 2 2 292.386 3.004 20 30 CGEDLP C=CCCCCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001253254234 806198025 /nfs/dbraw/zinc/19/80/25/806198025.db2.gz AKEONMFMZXYUNR-ROUUACIJSA-N 2 2 296.499 3.194 20 30 CGEDLP C=CCCCCCC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001253254234 806198029 /nfs/dbraw/zinc/19/80/29/806198029.db2.gz AKEONMFMZXYUNR-ROUUACIJSA-N 2 2 296.499 3.194 20 30 CGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C#N ZINC000405149138 799581410 /nfs/dbraw/zinc/58/14/10/799581410.db2.gz FRCCMQVGANSZLD-WBVHZDCISA-N 2 2 285.435 3.036 20 30 CGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C#N ZINC000405149138 799581415 /nfs/dbraw/zinc/58/14/15/799581415.db2.gz FRCCMQVGANSZLD-WBVHZDCISA-N 2 2 285.435 3.036 20 30 CGEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C#N ZINC000405149134 799581847 /nfs/dbraw/zinc/58/18/47/799581847.db2.gz FRCCMQVGANSZLD-RDJZCZTQSA-N 2 2 285.435 3.036 20 30 CGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C#N ZINC000405149134 799581850 /nfs/dbraw/zinc/58/18/50/799581850.db2.gz FRCCMQVGANSZLD-RDJZCZTQSA-N 2 2 285.435 3.036 20 30 CGEDLP C[C@]12C[NH+](CCCC#N)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000705687976 799952560 /nfs/dbraw/zinc/95/25/60/799952560.db2.gz SKKHBHZOLUQQKQ-RTBURBONSA-N 2 2 297.446 3.134 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001245971580 804092271 /nfs/dbraw/zinc/09/22/71/804092271.db2.gz BBFOXZQOHQPNER-QZTJIDSGSA-N 2 2 290.451 3.164 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC001245994786 804095246 /nfs/dbraw/zinc/09/52/46/804095246.db2.gz PRLOKHUGBBSSSW-QZTJIDSGSA-N 2 2 290.451 3.164 20 30 CGEDLP CCCCCCC[C@H](CC(C)C)[NH2+][C@@H]1C[NH2+]CC[C@H]1O ZINC001246088274 804120575 /nfs/dbraw/zinc/12/05/75/804120575.db2.gz SSAMGAVCIHWNLF-BRWVUGGUSA-N 2 2 284.488 3.074 20 30 CGEDLP CCCCCCC[C@H](CC)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246113441 804144883 /nfs/dbraw/zinc/14/48/83/804144883.db2.gz SZLJOIBNHGJAIZ-ILXRZTDVSA-N 2 2 258.425 3.415 20 30 CGEDLP CCCCCCC[C@H](CC(C)C)[NH2+][C@@H]1CCOC12C[NH2+]C2 ZINC001246124988 804152805 /nfs/dbraw/zinc/15/28/05/804152805.db2.gz IDVZBYSUCMMXIC-IAGOWNOFSA-N 2 2 296.499 3.482 20 30 CGEDLP CCCCCCC[C@@H](CCC)[NH2+][C@@H]1CCOC12C[NH2+]C2 ZINC001246125859 804154565 /nfs/dbraw/zinc/15/45/65/804154565.db2.gz KBJZKOQCJQANEG-HZPDHXFCSA-N 2 2 282.472 3.236 20 30 CGEDLP CCCCCCCC[C@@H](CC)[NH2+][C@H]1CCOC12C[NH2+]C2 ZINC001246131083 804157630 /nfs/dbraw/zinc/15/76/30/804157630.db2.gz XAOFBMIBYPEDKX-CVEARBPZSA-N 2 2 282.472 3.236 20 30 CGEDLP CCCCCCCC[C@H](CC)[NH2+][C@@H]1CCOC12C[NH2+]C2 ZINC001246131122 804158087 /nfs/dbraw/zinc/15/80/87/804158087.db2.gz XAOFBMIBYPEDKX-JKSUJKDBSA-N 2 2 282.472 3.236 20 30 CGEDLP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246610899 804445385 /nfs/dbraw/zinc/44/53/85/804445385.db2.gz CUXGODFKCCMQDB-APWZRJJASA-N 2 2 297.446 3.097 20 30 CGEDLP C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246610899 804445387 /nfs/dbraw/zinc/44/53/87/804445387.db2.gz CUXGODFKCCMQDB-APWZRJJASA-N 2 2 297.446 3.097 20 30 CGEDLP C=CCC[C@H](C)[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246980029 804626845 /nfs/dbraw/zinc/62/68/45/804626845.db2.gz QDKZLHBPACJRRW-HOCLYGCPSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@H](C)[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246980029 804626848 /nfs/dbraw/zinc/62/68/48/804626848.db2.gz QDKZLHBPACJRRW-HOCLYGCPSA-N 2 2 250.430 3.338 20 30 CGEDLP CCc1cc(C#N)ccc1C[NH+]1CCC([NH+](CC)CC)CC1 ZINC001248751323 804984667 /nfs/dbraw/zinc/98/46/67/804984667.db2.gz SGZFGYBTDQOIHY-UHFFFAOYSA-N 2 2 299.462 3.427 20 30 CGEDLP CCCCCCC[C@H](C)[N@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258040860 807271468 /nfs/dbraw/zinc/27/14/68/807271468.db2.gz IYIGIOOTIMOJBB-KRWDZBQOSA-N 3 2 285.520 3.338 20 30 CGEDLP CCCCCCC[C@H](C)[N@@H+](CCC[NH3+])CCC[NH+](C)C ZINC001258040860 807271470 /nfs/dbraw/zinc/27/14/70/807271470.db2.gz IYIGIOOTIMOJBB-KRWDZBQOSA-N 3 2 285.520 3.338 20 30 CGEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001172299167 808219791 /nfs/dbraw/zinc/21/97/91/808219791.db2.gz JWIWGYQJUGADJE-QAPCUYQASA-N 2 2 299.462 3.199 20 30 CGEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001172299167 808219794 /nfs/dbraw/zinc/21/97/94/808219794.db2.gz JWIWGYQJUGADJE-QAPCUYQASA-N 2 2 299.462 3.199 20 30 CGEDLP C[C@H](CCCC#N)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172481447 808345305 /nfs/dbraw/zinc/34/53/05/808345305.db2.gz UPJROFCRZKGUFC-CQSZACIVSA-N 2 2 268.364 3.044 20 30 CGEDLP CCCCCCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001201798645 811966535 /nfs/dbraw/zinc/96/65/35/811966535.db2.gz YLZSVFHDUAIAEN-UHFFFAOYSA-N 2 2 291.439 3.183 20 30 CGEDLP C#Cc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001231663171 818153316 /nfs/dbraw/zinc/15/33/16/818153316.db2.gz KVPLMVGJXBTWDJ-GOSISDBHSA-N 2 2 292.382 3.025 20 30 CGEDLP C#Cc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1 ZINC001231663171 818153321 /nfs/dbraw/zinc/15/33/21/818153321.db2.gz KVPLMVGJXBTWDJ-GOSISDBHSA-N 2 2 292.382 3.025 20 30 CGEDLP CCCCCCC/C=C/C[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235114012 819008834 /nfs/dbraw/zinc/00/88/34/819008834.db2.gz IPNPLZZRKQYDOP-GFOMBABLSA-N 2 2 294.483 3.358 20 30 CGEDLP CCCCCCC/C=C/C[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235114012 819008838 /nfs/dbraw/zinc/00/88/38/819008838.db2.gz IPNPLZZRKQYDOP-GFOMBABLSA-N 2 2 294.483 3.358 20 30 CGEDLP CCCCCCC/C=C/C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235166023 819021300 /nfs/dbraw/zinc/02/13/00/819021300.db2.gz NQXFZUQDEDVVIP-OFTJQPPSSA-N 2 2 250.430 3.326 20 30 CGEDLP CCCCCCC/C=C/C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235166023 819021306 /nfs/dbraw/zinc/02/13/06/819021306.db2.gz NQXFZUQDEDVVIP-OFTJQPPSSA-N 2 2 250.430 3.326 20 30 CGEDLP CCCCCCC/C=C/C[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236434245 819477034 /nfs/dbraw/zinc/47/70/34/819477034.db2.gz LAVIGFQNJRPCEI-HVHJFMEUSA-N 2 2 256.409 3.276 20 30 CGEDLP CCCCCCC/C=C/C[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236434245 819477037 /nfs/dbraw/zinc/47/70/37/819477037.db2.gz LAVIGFQNJRPCEI-HVHJFMEUSA-N 2 2 256.409 3.276 20 30 CGEDLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423504699 529612046 /nfs/dbraw/zinc/61/20/46/529612046.db2.gz NSVRLRJMMMMAII-LIRRHRJNSA-N 2 2 293.414 3.471 20 30 CGEDLP Cc1cccc2[nH+]c(CC[NH2+]C3CCC(C)(C#N)CC3)cn21 ZINC000592380671 346981747 /nfs/dbraw/zinc/98/17/47/346981747.db2.gz YKSZXEJRDPDANN-UHFFFAOYSA-N 2 2 296.418 3.247 20 30 CGEDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC)c2ccc(C#N)cc2)C1 ZINC000595096873 347282977 /nfs/dbraw/zinc/28/29/77/347282977.db2.gz NGIWGTWBUCLVOA-SJORKVTESA-N 2 2 271.408 3.083 20 30 CGEDLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)c2ccc(C#N)cc2)C1 ZINC000595096873 347282982 /nfs/dbraw/zinc/28/29/82/347282982.db2.gz NGIWGTWBUCLVOA-SJORKVTESA-N 2 2 271.408 3.083 20 30 CGEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599302492 347733831 /nfs/dbraw/zinc/73/38/31/347733831.db2.gz DJCZDRQAMIHQOE-KRWDZBQOSA-N 2 2 285.435 3.030 20 30 CGEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599302492 347733833 /nfs/dbraw/zinc/73/38/33/347733833.db2.gz DJCZDRQAMIHQOE-KRWDZBQOSA-N 2 2 285.435 3.030 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000602623662 347996078 /nfs/dbraw/zinc/99/60/78/347996078.db2.gz YLPCMBDLECQGNK-LPHOPBHVSA-N 2 2 299.462 3.426 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000602623662 347996080 /nfs/dbraw/zinc/99/60/80/347996080.db2.gz YLPCMBDLECQGNK-LPHOPBHVSA-N 2 2 299.462 3.426 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000602543381 347979010 /nfs/dbraw/zinc/97/90/10/347979010.db2.gz CGMAYHKBBIIQPN-SOLBZPMBSA-N 2 2 285.435 3.351 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000602543381 347979015 /nfs/dbraw/zinc/97/90/15/347979015.db2.gz CGMAYHKBBIIQPN-SOLBZPMBSA-N 2 2 285.435 3.351 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nccc3ccccc32)CC1 ZINC000607167585 348227018 /nfs/dbraw/zinc/22/70/18/348227018.db2.gz VOIXOXGRJFKPBW-UHFFFAOYSA-N 2 2 295.430 3.365 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000611392863 348445271 /nfs/dbraw/zinc/44/52/71/348445271.db2.gz RELLGEIURRZRIJ-PKOBYXMFSA-N 2 2 295.430 3.010 20 30 CGEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000611392863 348445274 /nfs/dbraw/zinc/44/52/74/348445274.db2.gz RELLGEIURRZRIJ-PKOBYXMFSA-N 2 2 295.430 3.010 20 30 CGEDLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611394312 348445824 /nfs/dbraw/zinc/44/58/24/348445824.db2.gz CATYYYUQULWBRE-LJQANCHMSA-N 2 2 291.398 3.471 20 30 CGEDLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000612585261 348530558 /nfs/dbraw/zinc/53/05/58/348530558.db2.gz UDCLFURVVFYYMI-GDBMZVCRSA-N 2 2 277.456 3.169 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000616773502 348877454 /nfs/dbraw/zinc/87/74/54/348877454.db2.gz XZLCCIKYRKPDDD-SFHVURJKSA-N 2 2 294.402 3.306 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000616773502 348877456 /nfs/dbraw/zinc/87/74/56/348877456.db2.gz XZLCCIKYRKPDDD-SFHVURJKSA-N 2 2 294.402 3.306 20 30 CGEDLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(C#N)c(F)c1 ZINC000423400236 236064434 /nfs/dbraw/zinc/06/44/34/236064434.db2.gz WXLUELQWBHLPSS-BLLLJJGKSA-N 2 2 289.398 3.126 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2C)CC1 ZINC000177910403 189078537 /nfs/dbraw/zinc/07/85/37/189078537.db2.gz WTVUJCVFFYBDOH-OAHLLOKOSA-N 2 2 258.409 3.296 20 30 CGEDLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(C#N)c1 ZINC000181672788 189303963 /nfs/dbraw/zinc/30/39/63/189303963.db2.gz VUXQSSADQKPYPL-HNNXBMFYSA-N 2 2 294.402 3.496 20 30 CGEDLP N#Cc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)c(F)c1 ZINC000344190068 217090317 /nfs/dbraw/zinc/09/03/17/217090317.db2.gz ZTNGRLHEOBMWDE-UHFFFAOYSA-N 2 2 298.365 3.074 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)C1CC1 ZINC000439080966 372973173 /nfs/dbraw/zinc/97/31/73/372973173.db2.gz UDJUAKBPDATZPW-RBUKOAKNSA-N 2 2 286.463 3.494 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C2CCC(CSC)CC2)CC1 ZINC000449123660 373664005 /nfs/dbraw/zinc/66/40/05/373664005.db2.gz OBXDJBZXXBDPIA-UHFFFAOYSA-N 2 2 282.497 3.148 20 30 CGEDLP C[C@@H]1C[C@@H]([NH+](C)CC#Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000177292397 373672310 /nfs/dbraw/zinc/67/23/10/373672310.db2.gz AOQGPYSYAQZNTA-PBHICJAKSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@@H]1C[C@@H]([NH+](C)CC#Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000177292397 373672319 /nfs/dbraw/zinc/67/23/19/373672319.db2.gz AOQGPYSYAQZNTA-PBHICJAKSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@@H]1C[C@@H]([N@H+](C)CC#Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000177292397 373672325 /nfs/dbraw/zinc/67/23/25/373672325.db2.gz AOQGPYSYAQZNTA-PBHICJAKSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@@H]1C[C@@H]([N@@H+](C)CC#Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000177292397 373672332 /nfs/dbraw/zinc/67/23/32/373672332.db2.gz AOQGPYSYAQZNTA-PBHICJAKSA-N 2 2 290.838 3.106 20 30 CGEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449243908 373675342 /nfs/dbraw/zinc/67/53/42/373675342.db2.gz OERAXZGJYJSGOA-AEFFLSMTSA-N 2 2 299.462 3.364 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CCC)c2ccccn2)CC1 ZINC000179470884 373876606 /nfs/dbraw/zinc/87/66/06/373876606.db2.gz PLNBRZOKBDTSQD-QGZVFWFLSA-N 2 2 273.424 3.163 20 30 CGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3C=CCCC3)CC2)cc1 ZINC000182012192 374202595 /nfs/dbraw/zinc/20/25/95/374202595.db2.gz NEHSMVFNJZXSGA-SFHVURJKSA-N 2 2 295.430 3.221 20 30 CGEDLP C[C@@H]([NH2+]Cc1ccccc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183102627 374370857 /nfs/dbraw/zinc/37/08/57/374370857.db2.gz YEHYCNOAPFMGHD-CRAIPNDOSA-N 2 2 297.446 3.301 20 30 CGEDLP C[C@@H]([NH2+]Cc1ccccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102627 374370865 /nfs/dbraw/zinc/37/08/65/374370865.db2.gz YEHYCNOAPFMGHD-CRAIPNDOSA-N 2 2 297.446 3.301 20 30 CGEDLP N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000185848346 374749980 /nfs/dbraw/zinc/74/99/80/374749980.db2.gz HYXNPJMMHNTTJM-IPMKNSEASA-N 2 2 297.446 3.323 20 30 CGEDLP N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000185848346 374749991 /nfs/dbraw/zinc/74/99/91/374749991.db2.gz HYXNPJMMHNTTJM-IPMKNSEASA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185878401 374760097 /nfs/dbraw/zinc/76/00/97/374760097.db2.gz OWUVKBRPSUCPIZ-BPQIPLTHSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185878401 374760100 /nfs/dbraw/zinc/76/01/00/374760100.db2.gz OWUVKBRPSUCPIZ-BPQIPLTHSA-N 2 2 285.435 3.179 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2C(C)C)CC1 ZINC000482639607 375170891 /nfs/dbraw/zinc/17/08/91/375170891.db2.gz DXLAYIPONHVUPS-IRXDYDNUSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000493708947 375478189 /nfs/dbraw/zinc/47/81/89/375478189.db2.gz RZQYVIRSWSAJJI-RRFJBIMHSA-N 2 2 250.430 3.336 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000493708947 375478194 /nfs/dbraw/zinc/47/81/94/375478194.db2.gz RZQYVIRSWSAJJI-RRFJBIMHSA-N 2 2 250.430 3.336 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000515979249 375815896 /nfs/dbraw/zinc/81/58/96/375815896.db2.gz WXTQGSILIXSGAY-SQWLQELKSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000515979249 375815902 /nfs/dbraw/zinc/81/59/02/375815902.db2.gz WXTQGSILIXSGAY-SQWLQELKSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCCCCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000570344275 377536670 /nfs/dbraw/zinc/53/66/70/377536670.db2.gz QYHIYOGKFOFSOL-UHFFFAOYSA-N 2 2 287.451 3.382 20 30 CGEDLP C=CC[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000281151224 379819644 /nfs/dbraw/zinc/81/96/44/379819644.db2.gz AVQHRYPJQKUWLD-GOSISDBHSA-N 2 2 297.446 3.467 20 30 CGEDLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000289181564 197255588 /nfs/dbraw/zinc/25/55/88/197255588.db2.gz STSOQZLCYPGVTJ-UHFFFAOYSA-N 2 2 279.387 3.326 20 30 CGEDLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000289181564 197255589 /nfs/dbraw/zinc/25/55/89/197255589.db2.gz STSOQZLCYPGVTJ-UHFFFAOYSA-N 2 2 279.387 3.326 20 30 CGEDLP C[C@H]1C[C@H]([NH+](C)CC#Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000154297772 392535513 /nfs/dbraw/zinc/53/55/13/392535513.db2.gz NKFJILQXFUOAIX-WMLDXEAASA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@H]1C[C@H]([NH+](C)CC#Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000154297772 392535515 /nfs/dbraw/zinc/53/55/15/392535515.db2.gz NKFJILQXFUOAIX-WMLDXEAASA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@H]1C[C@H]([N@H+](C)CC#Cc2cccc(Cl)c2)CC[NH+]1C ZINC000154297772 392535519 /nfs/dbraw/zinc/53/55/19/392535519.db2.gz NKFJILQXFUOAIX-WMLDXEAASA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@H]1C[C@H]([N@@H+](C)CC#Cc2cccc(Cl)c2)CC[NH+]1C ZINC000154297772 392535523 /nfs/dbraw/zinc/53/55/23/392535523.db2.gz NKFJILQXFUOAIX-WMLDXEAASA-N 2 2 290.838 3.106 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCO[C@@H](CC)C1)C(C)C ZINC000648417390 393007532 /nfs/dbraw/zinc/00/75/32/393007532.db2.gz DECMQSZKYYZCJU-FGTMMUONSA-N 2 2 294.483 3.232 20 30 CGEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266968358 393185266 /nfs/dbraw/zinc/18/52/66/393185266.db2.gz YULJIZGPYWYBFV-CZUORRHYSA-N 2 2 280.375 3.222 20 30 CGEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266968358 393185272 /nfs/dbraw/zinc/18/52/72/393185272.db2.gz YULJIZGPYWYBFV-CZUORRHYSA-N 2 2 280.375 3.222 20 30 CGEDLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000278715037 393324031 /nfs/dbraw/zinc/32/40/31/393324031.db2.gz LYCDFFFWPYMULM-SKDZVZGDSA-N 2 2 283.419 3.224 20 30 CGEDLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(C#N)cc1 ZINC000278715037 393324034 /nfs/dbraw/zinc/32/40/34/393324034.db2.gz LYCDFFFWPYMULM-SKDZVZGDSA-N 2 2 283.419 3.224 20 30 CGEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cccc(C#N)c1 ZINC000285478420 196297799 /nfs/dbraw/zinc/29/77/99/196297799.db2.gz BHPASDUJEVOPIG-UHFFFAOYSA-N 2 2 297.402 3.105 20 30 CGEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cccc(C#N)c1 ZINC000285478420 196297801 /nfs/dbraw/zinc/29/78/01/196297801.db2.gz BHPASDUJEVOPIG-UHFFFAOYSA-N 2 2 297.402 3.105 20 30 CGEDLP C[NH+](CCC[N@H+](C)Cc1cccc(C#N)c1)Cc1ccco1 ZINC000285478420 196297803 /nfs/dbraw/zinc/29/78/03/196297803.db2.gz BHPASDUJEVOPIG-UHFFFAOYSA-N 2 2 297.402 3.105 20 30 CGEDLP C[NH+](CCC[N@@H+](C)Cc1cccc(C#N)c1)Cc1ccco1 ZINC000285478420 196297804 /nfs/dbraw/zinc/29/78/04/196297804.db2.gz BHPASDUJEVOPIG-UHFFFAOYSA-N 2 2 297.402 3.105 20 30 CGEDLP C=CCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253369 419093886 /nfs/dbraw/zinc/09/38/86/419093886.db2.gz OYGHWOGWAMYXBZ-SUYBPPKGSA-N 2 2 294.389 3.355 20 30 CGEDLP C=CCC[C@H](CC)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848781 419118518 /nfs/dbraw/zinc/11/85/18/419118518.db2.gz KIYFBRCBWFYXBS-HRCADAONSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@H](CC)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848781 419118521 /nfs/dbraw/zinc/11/85/21/419118521.db2.gz KIYFBRCBWFYXBS-HRCADAONSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCOc1cccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000657524793 419297613 /nfs/dbraw/zinc/29/76/13/419297613.db2.gz ROIZOGDUSFEAQT-MRXNPFEDSA-N 2 2 288.435 3.214 20 30 CGEDLP C=CCOc1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000657524793 419297616 /nfs/dbraw/zinc/29/76/16/419297616.db2.gz ROIZOGDUSFEAQT-MRXNPFEDSA-N 2 2 288.435 3.214 20 30 CGEDLP N#CC1CCC(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000281840541 263072414 /nfs/dbraw/zinc/07/24/14/263072414.db2.gz YLQLHEXNVLCPRW-UHFFFAOYSA-N 2 2 294.402 3.292 20 30 CGEDLP CC[N@H+]1C[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)[C@@H](C)C1 ZINC000340440560 263149901 /nfs/dbraw/zinc/14/99/01/263149901.db2.gz CJGMQTNWJKPCBQ-JQHSSLGASA-N 2 2 285.435 3.351 20 30 CGEDLP CC[N@@H+]1C[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)[C@@H](C)C1 ZINC000340440560 263149902 /nfs/dbraw/zinc/14/99/02/263149902.db2.gz CJGMQTNWJKPCBQ-JQHSSLGASA-N 2 2 285.435 3.351 20 30 CGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000294970404 263170353 /nfs/dbraw/zinc/17/03/53/263170353.db2.gz FRJWAUWJNHLNCT-CAMMJAKZSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000294970404 263170354 /nfs/dbraw/zinc/17/03/54/263170354.db2.gz FRJWAUWJNHLNCT-CAMMJAKZSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@H+](Cc2ccccc2)C1 ZINC000425346653 264018956 /nfs/dbraw/zinc/01/89/56/264018956.db2.gz BYNIRODQXHVVQD-QXCFHYIPSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000425346653 264018959 /nfs/dbraw/zinc/01/89/59/264018959.db2.gz BYNIRODQXHVVQD-QXCFHYIPSA-N 2 2 297.446 3.179 20 30 CGEDLP C=CCC[C@H](CC)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000360237153 266697487 /nfs/dbraw/zinc/69/74/87/266697487.db2.gz GDZSYWWAGOULRZ-HNNXBMFYSA-N 2 2 282.472 3.210 20 30 CGEDLP CC1(C)C[C@@H]([NH2+]CC2(CC#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000368461637 267174631 /nfs/dbraw/zinc/17/46/31/267174631.db2.gz JQAJKYFNZVBUOG-QGZVFWFLSA-N 2 2 297.446 3.323 20 30 CGEDLP CC1(C)C[C@@H]([NH2+]CC2(CC#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000368461637 267174634 /nfs/dbraw/zinc/17/46/34/267174634.db2.gz JQAJKYFNZVBUOG-QGZVFWFLSA-N 2 2 297.446 3.323 20 30 CGEDLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000344844432 276105597 /nfs/dbraw/zinc/10/55/97/276105597.db2.gz RJNIOHGESVZHCC-WMLDXEAASA-N 2 2 289.423 3.141 20 30 CGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3(C4CC4)CC3)CC2)cc1 ZINC000538554632 288577236 /nfs/dbraw/zinc/57/72/36/288577236.db2.gz WUOVQVKUYBMPOJ-UHFFFAOYSA-N 2 2 295.430 3.055 20 30 CGEDLP C=CCCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000344299032 328557206 /nfs/dbraw/zinc/55/72/06/328557206.db2.gz OCHRWXPBJIYULI-MRXNPFEDSA-N 2 2 287.451 3.380 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000177906915 329189793 /nfs/dbraw/zinc/18/97/93/329189793.db2.gz GCFREINSKPNTOC-HNNXBMFYSA-N 2 2 287.451 3.054 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000184084475 329255756 /nfs/dbraw/zinc/25/57/56/329255756.db2.gz JWDUFEZQCKTCAH-ZMSDIMECSA-N 2 2 277.456 3.311 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccncc2Cl)CC1 ZINC000421838052 330092432 /nfs/dbraw/zinc/09/24/32/330092432.db2.gz UNSNXFYTTZEMRN-LBPRGKRZSA-N 2 2 279.815 3.036 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449063134 330896381 /nfs/dbraw/zinc/89/63/81/330896381.db2.gz OAXCEMILAWVNBL-UHFFFAOYSA-N 2 2 296.418 3.407 20 30 CGEDLP C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[NH+]1CCC(C)CC1 ZINC000449107104 330899495 /nfs/dbraw/zinc/89/94/95/330899495.db2.gz OELHKQHQDKJPFV-KLAILNCOSA-N 2 2 277.456 3.169 20 30 CGEDLP C=CC[C@@H](C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000163323212 331021277 /nfs/dbraw/zinc/02/12/77/331021277.db2.gz AFJNRMUBDBAMAQ-WBVHZDCISA-N 2 2 258.409 3.205 20 30 CGEDLP C=CC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000163323212 331021278 /nfs/dbraw/zinc/02/12/78/331021278.db2.gz AFJNRMUBDBAMAQ-WBVHZDCISA-N 2 2 258.409 3.205 20 30 CGEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453357510 331121927 /nfs/dbraw/zinc/12/19/27/331121927.db2.gz ONAUYUVHGTZPNW-OLMNPRSZSA-N 2 2 297.402 3.257 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193092809 333242373 /nfs/dbraw/zinc/24/23/73/333242373.db2.gz WSHBMBHJEJIGIT-UHFFFAOYSA-N 2 2 270.829 3.142 20 30 CGEDLP C=C(C)CC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000386944501 336182658 /nfs/dbraw/zinc/18/26/58/336182658.db2.gz WHLQAWGVAYKYCX-UHFFFAOYSA-N 2 2 255.365 3.237 20 30 CGEDLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(C#N)c(F)c1 ZINC000423400238 533888295 /nfs/dbraw/zinc/88/82/95/533888295.db2.gz WXLUELQWBHLPSS-LRDDRELGSA-N 2 2 289.398 3.126 20 30 CGEDLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358561149 529002092 /nfs/dbraw/zinc/00/20/92/529002092.db2.gz FWPRZARTUKTRBB-ZDUSSCGKSA-N 2 2 289.398 3.221 20 30 CGEDLP C=CC[C@H]1CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000934467967 618626227 /nfs/dbraw/zinc/62/62/27/618626227.db2.gz WZPJOFOBFJZGJV-HNNXBMFYSA-N 2 2 253.349 3.023 20 30 CGEDLP C=CC[C@H]1CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000934467967 618626229 /nfs/dbraw/zinc/62/62/29/618626229.db2.gz WZPJOFOBFJZGJV-HNNXBMFYSA-N 2 2 253.349 3.023 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926707785 618832620 /nfs/dbraw/zinc/83/26/20/618832620.db2.gz VEKSXEJOJZLAMV-CABCVRRESA-N 2 2 277.456 3.311 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926707785 618832624 /nfs/dbraw/zinc/83/26/24/618832624.db2.gz VEKSXEJOJZLAMV-CABCVRRESA-N 2 2 277.456 3.311 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CC1 ZINC000924984198 619475774 /nfs/dbraw/zinc/47/57/74/619475774.db2.gz PJAQRYAMMXGTSD-LPHOPBHVSA-N 2 2 299.462 3.033 20 30 CGEDLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000902825357 621457130 /nfs/dbraw/zinc/45/71/30/621457130.db2.gz LWRWDASRKYCHMA-WMLDXEAASA-N 2 2 271.408 3.083 20 30 CGEDLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000902825357 621457137 /nfs/dbraw/zinc/45/71/37/621457137.db2.gz LWRWDASRKYCHMA-WMLDXEAASA-N 2 2 271.408 3.083 20 30 CGEDLP CC(C)[NH+](CCC[NH2+][C@H](C)c1cc(C#N)ccn1)C(C)C ZINC000902831303 621466401 /nfs/dbraw/zinc/46/64/01/621466401.db2.gz YCZSOJMVHLTDHY-OAHLLOKOSA-N 2 2 288.439 3.113 20 30 CGEDLP C=C(Cl)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000839555793 626760010 /nfs/dbraw/zinc/76/00/10/626760010.db2.gz LNQPNLSAMQAIPA-ZIAGYGMSSA-N 2 2 292.854 3.485 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc3ccccc3[nH]2)CC1 ZINC000775629257 628115715 /nfs/dbraw/zinc/11/57/15/628115715.db2.gz VDIFSTLCVKLBMU-AWEZNQCLSA-N 2 2 283.419 3.469 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000815652415 631814145 /nfs/dbraw/zinc/81/41/45/631814145.db2.gz BPBZQXNNOHNKBN-OAHLLOKOSA-N 2 2 294.826 3.041 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000815652415 631814150 /nfs/dbraw/zinc/81/41/50/631814150.db2.gz BPBZQXNNOHNKBN-OAHLLOKOSA-N 2 2 294.826 3.041 20 30 CGEDLP C=CCC[C@H](CCC)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938420 632238821 /nfs/dbraw/zinc/23/88/21/632238821.db2.gz JZPHUUFRCKMDJT-WMZOPIPTSA-N 2 2 289.467 3.477 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825222842 633336838 /nfs/dbraw/zinc/33/68/38/633336838.db2.gz PXZXYCZOVJJSCW-UHFFFAOYSA-N 2 2 294.826 3.094 20 30 CGEDLP C=CC[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000878397920 635487351 /nfs/dbraw/zinc/48/73/51/635487351.db2.gz SXFKQOBNNSOOAK-KBPBESRZSA-N 2 2 255.365 3.488 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474220 636008110 /nfs/dbraw/zinc/00/81/10/636008110.db2.gz UXYLOFRFGRCBEJ-OAHLLOKOSA-N 2 2 283.419 3.179 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C/C=C/c2cccc(F)c2)CC1 ZINC000885972357 637338713 /nfs/dbraw/zinc/33/87/13/637338713.db2.gz AJXIZWDCBMAGEL-GQCTYLIASA-N 2 2 274.383 3.079 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000926323911 638763020 /nfs/dbraw/zinc/76/30/20/638763020.db2.gz PCCITGPOZLGRHI-UONOGXRCSA-N 2 2 265.445 3.025 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000926323911 638763021 /nfs/dbraw/zinc/76/30/21/638763021.db2.gz PCCITGPOZLGRHI-UONOGXRCSA-N 2 2 265.445 3.025 20 30 CGEDLP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931351239 639139737 /nfs/dbraw/zinc/13/97/37/639139737.db2.gz ILAIMPKBSPHVOS-CQSZACIVSA-N 2 2 271.408 3.035 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@H+](CC)CCn1cc[nH+]c1 ZINC001252132165 806017398 /nfs/dbraw/zinc/01/73/98/806017398.db2.gz AONKUZNLZJQNGF-QGZVFWFLSA-N 2 2 295.471 3.317 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001252132165 806017410 /nfs/dbraw/zinc/01/74/10/806017410.db2.gz AONKUZNLZJQNGF-QGZVFWFLSA-N 2 2 295.471 3.317 20 30 CGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000450750393 799625463 /nfs/dbraw/zinc/62/54/63/799625463.db2.gz AUYZGCAGEAYKFE-AEFFLSMTSA-N 2 2 297.446 3.180 20 30 CGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000450750393 799625466 /nfs/dbraw/zinc/62/54/66/799625466.db2.gz AUYZGCAGEAYKFE-AEFFLSMTSA-N 2 2 297.446 3.180 20 30 CGEDLP CCCCCCCC[C@@H](O)C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC001245996543 804096405 /nfs/dbraw/zinc/09/64/05/804096405.db2.gz VSQGAORGRXNDPB-QZTJIDSGSA-N 2 2 292.467 3.388 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1C[NH2+][C@H](C)C1 ZINC001246008209 804098026 /nfs/dbraw/zinc/09/80/26/804098026.db2.gz DBDZCJQQRFSBJP-BRWVUGGUSA-N 2 2 284.488 3.218 20 30 CGEDLP CCCCCCCC[C@@H](O)C[NH2+][C@H]1C[NH2+]CCC1(C)C ZINC001246004334 804098887 /nfs/dbraw/zinc/09/88/87/804098887.db2.gz OSVQMVULCHDDNG-CVEARBPZSA-N 2 2 284.488 3.076 20 30 CGEDLP CCCCCCC[C@@H](CCC)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246091555 804123759 /nfs/dbraw/zinc/12/37/59/804123759.db2.gz DIQZOXGNAFCDTG-CVEARBPZSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCC[C@H](CCC)[NH2+][C@H]1CCOC12C[NH2+]C2 ZINC001246125857 804154376 /nfs/dbraw/zinc/15/43/76/804154376.db2.gz KBJZKOQCJQANEG-HOTGVXAUSA-N 2 2 282.472 3.236 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168018768 807301022 /nfs/dbraw/zinc/30/10/22/807301022.db2.gz DLIKIZJVFPOSQM-ALXJQNPVSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018768 807301029 /nfs/dbraw/zinc/30/10/29/807301029.db2.gz DLIKIZJVFPOSQM-ALXJQNPVSA-N 2 2 297.446 3.321 20 30 CGEDLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C#N)CC(C)C ZINC001258902776 807669948 /nfs/dbraw/zinc/66/99/48/807669948.db2.gz FTACLZZIRYCXCV-CABCVRRESA-N 2 2 253.434 3.025 20 30 CGEDLP C#CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC001176281751 809659010 /nfs/dbraw/zinc/65/90/10/809659010.db2.gz PJEGTJGIWWKUET-UHFFFAOYSA-N 2 2 267.376 3.106 20 30 CGEDLP C#CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC001176281751 809659014 /nfs/dbraw/zinc/65/90/14/809659014.db2.gz PJEGTJGIWWKUET-UHFFFAOYSA-N 2 2 267.376 3.106 20 30 CGEDLP CCCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205896098 813121023 /nfs/dbraw/zinc/12/10/23/813121023.db2.gz UQWARJGPANAKRE-HUUCEWRRSA-N 2 2 258.425 3.498 20 30 CGEDLP CCCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205896098 813121029 /nfs/dbraw/zinc/12/10/29/813121029.db2.gz UQWARJGPANAKRE-HUUCEWRRSA-N 2 2 258.425 3.498 20 30 CGEDLP C#CCCCCCC[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001207058561 813476612 /nfs/dbraw/zinc/47/66/12/813476612.db2.gz OXDVRKBTVBOHJO-QGZVFWFLSA-N 2 2 262.441 3.177 20 30 CGEDLP C#CCCCCCC[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001207058561 813476615 /nfs/dbraw/zinc/47/66/15/813476615.db2.gz OXDVRKBTVBOHJO-QGZVFWFLSA-N 2 2 262.441 3.177 20 30 CGEDLP C=CCCCCCCC[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222192070 816372089 /nfs/dbraw/zinc/37/20/89/816372089.db2.gz SUVFPIGCZVHQDU-MRXNPFEDSA-N 2 2 250.430 3.341 20 30 CGEDLP C=CCCCCCCC[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222192070 816372094 /nfs/dbraw/zinc/37/20/94/816372094.db2.gz SUVFPIGCZVHQDU-MRXNPFEDSA-N 2 2 250.430 3.341 20 30 CGEDLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)s2)CC1 ZINC001232845232 818454607 /nfs/dbraw/zinc/45/46/07/818454607.db2.gz PSEGFBMCWHVUEX-UHFFFAOYSA-N 2 2 291.464 3.316 20 30 CGEDLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)s2)CC1 ZINC001232845232 818454612 /nfs/dbraw/zinc/45/46/12/818454612.db2.gz PSEGFBMCWHVUEX-UHFFFAOYSA-N 2 2 291.464 3.316 20 30 CGEDLP C=CC[NH+](CC=C)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234066689 818771949 /nfs/dbraw/zinc/77/19/49/818771949.db2.gz MPXJUFJZFVYOBF-UHFFFAOYSA-N 2 2 283.375 3.055 20 30 CGEDLP Cc1cc(C#N)cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001242480075 823006975 /nfs/dbraw/zinc/00/69/75/823006975.db2.gz YMOKINWNUXRKTG-LJQANCHMSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1cc(C#N)cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001242480075 823006976 /nfs/dbraw/zinc/00/69/76/823006976.db2.gz YMOKINWNUXRKTG-LJQANCHMSA-N 2 2 291.398 3.067 20 30 CGEDLP C=CCCCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001347840294 936898665 /nfs/dbraw/zinc/89/86/65/936898665.db2.gz RTJBZOAOPLCLBT-HNNXBMFYSA-N 2 2 261.413 3.031 20 30 CGEDLP C=CCCCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001347840294 936898667 /nfs/dbraw/zinc/89/86/67/936898667.db2.gz RTJBZOAOPLCLBT-HNNXBMFYSA-N 2 2 261.413 3.031 20 30 CGEDLP C#CCCCCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001474605019 937869960 /nfs/dbraw/zinc/86/99/60/937869960.db2.gz QXDQMDFANYWOOW-IRXDYDNUSA-N 2 2 262.441 3.177 20 30 CGEDLP C#CCCCCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001474605019 937869961 /nfs/dbraw/zinc/86/99/61/937869961.db2.gz QXDQMDFANYWOOW-IRXDYDNUSA-N 2 2 262.441 3.177 20 30 CGEDLP CCC[NH+]1CCC([N@H+](CCC#N)C2CCCC2)CC1 ZINC001258774408 960428357 /nfs/dbraw/zinc/42/83/57/960428357.db2.gz NFGAZUBERASGIE-UHFFFAOYSA-N 2 2 263.429 3.019 20 30 CGEDLP CCC[NH+]1CCC([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001258774408 960428361 /nfs/dbraw/zinc/42/83/61/960428361.db2.gz NFGAZUBERASGIE-UHFFFAOYSA-N 2 2 263.429 3.019 20 30 CGEDLP C=CC[C@H]1CC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000651676241 398267392 /nfs/dbraw/zinc/26/73/92/398267392.db2.gz TUJUKUTXVHHPGG-GJZGRUSLSA-N 2 2 273.424 3.096 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(OC)c2)CC1 ZINC000623407739 349801089 /nfs/dbraw/zinc/80/10/89/349801089.db2.gz UTFFPGTWAPTSRV-UHFFFAOYSA-N 2 2 294.826 3.089 20 30 CGEDLP CC(C)(CCC#N)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000174263527 346239913 /nfs/dbraw/zinc/23/99/13/346239913.db2.gz DICQIHMOSTYZSR-UHFFFAOYSA-N 2 2 296.418 3.351 20 30 CGEDLP N#CC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000405077765 346602480 /nfs/dbraw/zinc/60/24/80/346602480.db2.gz JGIUELCVOXDOSQ-UHFFFAOYSA-N 2 2 297.446 3.325 20 30 CGEDLP C[C@H](CCC#N)C[N@@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000602456590 347960826 /nfs/dbraw/zinc/96/08/26/347960826.db2.gz ZTYAICKUTVMVOA-QZWWFDLISA-N 2 2 277.456 3.263 20 30 CGEDLP C[C@H](CCC#N)C[N@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000602456590 347960828 /nfs/dbraw/zinc/96/08/28/347960828.db2.gz ZTYAICKUTVMVOA-QZWWFDLISA-N 2 2 277.456 3.263 20 30 CGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602617890 347995224 /nfs/dbraw/zinc/99/52/24/347995224.db2.gz PKIUANMNLUNZIY-JVGQSUMCSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602617890 347995225 /nfs/dbraw/zinc/99/52/25/347995225.db2.gz PKIUANMNLUNZIY-JVGQSUMCSA-N 2 2 297.446 3.179 20 30 CGEDLP N#CC1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000602721178 348017165 /nfs/dbraw/zinc/01/71/65/348017165.db2.gz PGTOTVLSVHNIOK-VMBOVVBDSA-N 2 2 275.440 3.065 20 30 CGEDLP N#CC1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000602721178 348017167 /nfs/dbraw/zinc/01/71/67/348017167.db2.gz PGTOTVLSVHNIOK-VMBOVVBDSA-N 2 2 275.440 3.065 20 30 CGEDLP Cc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)ccc1C#N ZINC000602734306 348021087 /nfs/dbraw/zinc/02/10/87/348021087.db2.gz GEBUXQPPLPRCAM-UHFFFAOYSA-N 2 2 297.446 3.317 20 30 CGEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271435566 191137095 /nfs/dbraw/zinc/13/70/95/191137095.db2.gz COXXMSDZRHYFDQ-CZUORRHYSA-N 2 2 278.827 3.239 20 30 CGEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271435566 191137097 /nfs/dbraw/zinc/13/70/97/191137097.db2.gz COXXMSDZRHYFDQ-CZUORRHYSA-N 2 2 278.827 3.239 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000177908445 189078421 /nfs/dbraw/zinc/07/84/21/189078421.db2.gz HDVRKCHKESUTEC-NSHDSACASA-N 2 2 298.352 3.405 20 30 CGEDLP CC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000182005711 189312093 /nfs/dbraw/zinc/31/20/93/189312093.db2.gz PNXUCXZNKIFTJP-UHFFFAOYSA-N 2 2 297.446 3.302 20 30 CGEDLP C=CCOc1ccccc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253616 370095323 /nfs/dbraw/zinc/09/53/23/370095323.db2.gz PLTMROIMXLAEFC-INIZCTEOSA-N 2 2 288.435 3.025 20 30 CGEDLP C=CCOc1ccccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000092253616 370095324 /nfs/dbraw/zinc/09/53/24/370095324.db2.gz PLTMROIMXLAEFC-INIZCTEOSA-N 2 2 288.435 3.025 20 30 CGEDLP C=CCOc1ccccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000092253616 370095328 /nfs/dbraw/zinc/09/53/28/370095328.db2.gz PLTMROIMXLAEFC-INIZCTEOSA-N 2 2 288.435 3.025 20 30 CGEDLP C=CCOc1ccccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253616 370095331 /nfs/dbraw/zinc/09/53/31/370095331.db2.gz PLTMROIMXLAEFC-INIZCTEOSA-N 2 2 288.435 3.025 20 30 CGEDLP CCc1ccc([C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[NH+](C)C)cc1 ZINC000442653367 373061503 /nfs/dbraw/zinc/06/15/03/373061503.db2.gz SBJJBPJQHWVSFY-JQHSSLGASA-N 2 2 285.435 3.134 20 30 CGEDLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000442716600 373070679 /nfs/dbraw/zinc/07/06/79/373070679.db2.gz OKLHRXINVALGDX-OTWHNJEPSA-N 2 2 299.462 3.221 20 30 CGEDLP C=C(C)C[NH+]1CCC(Nc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000301181629 373685060 /nfs/dbraw/zinc/68/50/60/373685060.db2.gz PGQKKBGPALYBOL-UHFFFAOYSA-N 2 2 288.439 3.361 20 30 CGEDLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(C#N)cc1 ZINC000181456892 374126886 /nfs/dbraw/zinc/12/68/86/374126886.db2.gz DTKSCPTXJADKRJ-AWEZNQCLSA-N 2 2 290.370 3.099 20 30 CGEDLP N#C[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000185835421 374748142 /nfs/dbraw/zinc/74/81/42/374748142.db2.gz STUMCBKNTMRVPM-IPMKNSEASA-N 2 2 297.446 3.323 20 30 CGEDLP N#C[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000185835421 374748147 /nfs/dbraw/zinc/74/81/47/374748147.db2.gz STUMCBKNTMRVPM-IPMKNSEASA-N 2 2 297.446 3.323 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000193092775 375825278 /nfs/dbraw/zinc/82/52/78/375825278.db2.gz COEKMGNYTWTTKF-UHFFFAOYSA-N 2 2 270.829 3.142 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)C[N@@H+]1C1CC1 ZINC000246348206 377013055 /nfs/dbraw/zinc/01/30/55/377013055.db2.gz HKYXBIGXNVAWJD-QGPMSJSTSA-N 2 2 283.419 3.246 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)C[N@H+]1C1CC1 ZINC000246348206 377013062 /nfs/dbraw/zinc/01/30/62/377013062.db2.gz HKYXBIGXNVAWJD-QGPMSJSTSA-N 2 2 283.419 3.246 20 30 CGEDLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(C#N)cc1F ZINC000574386887 377657155 /nfs/dbraw/zinc/65/71/55/377657155.db2.gz OAHFKCVJFCESQM-GFCCVEGCSA-N 2 2 298.365 3.081 20 30 CGEDLP C#CCCC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000271059613 378444040 /nfs/dbraw/zinc/44/40/40/378444040.db2.gz SEGSPFGLAIPAAF-UHFFFAOYSA-N 2 2 285.435 3.033 20 30 CGEDLP C#CCCC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000271059613 378444048 /nfs/dbraw/zinc/44/40/48/378444048.db2.gz SEGSPFGLAIPAAF-UHFFFAOYSA-N 2 2 285.435 3.033 20 30 CGEDLP C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CCC[NH2+]C1 ZINC000346845426 378695211 /nfs/dbraw/zinc/69/52/11/378695211.db2.gz AVFOKTJWEDLCRU-LBPRGKRZSA-N 2 2 284.856 3.389 20 30 CGEDLP C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CCC[NH2+]C1 ZINC000346845426 378695216 /nfs/dbraw/zinc/69/52/16/378695216.db2.gz AVFOKTJWEDLCRU-LBPRGKRZSA-N 2 2 284.856 3.389 20 30 CGEDLP C=CC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280223867 379646146 /nfs/dbraw/zinc/64/61/46/379646146.db2.gz LNKAXPHRNUEKEY-UHFFFAOYSA-N 2 2 255.365 3.168 20 30 CGEDLP N#C[C@@H]1CC[C@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000339082677 392945814 /nfs/dbraw/zinc/94/58/14/392945814.db2.gz WUXQZGSHPKBPNY-SJORKVTESA-N 2 2 286.423 3.068 20 30 CGEDLP N#C[C@H]1CC[C@@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000339082664 392946115 /nfs/dbraw/zinc/94/61/15/392946115.db2.gz WUXQZGSHPKBPNY-DLBZAZTESA-N 2 2 286.423 3.068 20 30 CGEDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360818175 393594603 /nfs/dbraw/zinc/59/46/03/393594603.db2.gz FIKZJQMPCPHTRI-PKOBYXMFSA-N 2 2 297.446 3.400 20 30 CGEDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360818175 393594605 /nfs/dbraw/zinc/59/46/05/393594605.db2.gz FIKZJQMPCPHTRI-PKOBYXMFSA-N 2 2 297.446 3.400 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2nc(C)sc2C)CC1 ZINC000676490966 543399678 /nfs/dbraw/zinc/39/96/78/543399678.db2.gz VWVKDEWNDLXLIM-LBPRGKRZSA-N 2 2 293.480 3.451 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCC[C@H](OC)C1)C(C)C ZINC000684369443 543987231 /nfs/dbraw/zinc/98/72/31/543987231.db2.gz OOQMLSGYLBUIHZ-OKZBNKHCSA-N 2 2 294.483 3.232 20 30 CGEDLP C[C@H](CC#N)[NH+](C)Cc1cccc(C[N@H+](C)[C@@H](C)CC#N)c1 ZINC000161762119 261259407 /nfs/dbraw/zinc/25/94/07/261259407.db2.gz CIIYJIPMIGTZDZ-IYBDPMFKSA-N 2 2 298.434 3.155 20 30 CGEDLP C[C@H](CC#N)[NH+](C)Cc1cccc(C[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000161762119 261259408 /nfs/dbraw/zinc/25/94/08/261259408.db2.gz CIIYJIPMIGTZDZ-IYBDPMFKSA-N 2 2 298.434 3.155 20 30 CGEDLP C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000193298322 262220284 /nfs/dbraw/zinc/22/02/84/262220284.db2.gz CUWBAMYUPDQWQF-ONIAQPFYSA-N 2 2 285.435 3.350 20 30 CGEDLP C=CCOc1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000371334625 267392521 /nfs/dbraw/zinc/39/25/21/267392521.db2.gz HDGORDLOXCEEHD-UHFFFAOYSA-N 2 2 297.402 3.354 20 30 CGEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245597794 278306284 /nfs/dbraw/zinc/30/62/84/278306284.db2.gz LVRZUHLPYWLYQA-RKVPGOIHSA-N 2 2 294.402 3.399 20 30 CGEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245597794 278306287 /nfs/dbraw/zinc/30/62/87/278306287.db2.gz LVRZUHLPYWLYQA-RKVPGOIHSA-N 2 2 294.402 3.399 20 30 CGEDLP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]CC(C)(C)CCC#N ZINC000344217072 299895574 /nfs/dbraw/zinc/89/55/74/299895574.db2.gz JJFVSPNPKXQRGA-GJZGRUSLSA-N 2 2 265.445 3.169 20 30 CGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000353599132 303201625 /nfs/dbraw/zinc/20/16/25/303201625.db2.gz VTGNEOXRZDJZAJ-HKUYNNGSSA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)CC2 ZINC000353599132 303201628 /nfs/dbraw/zinc/20/16/28/303201628.db2.gz VTGNEOXRZDJZAJ-HKUYNNGSSA-N 2 2 295.430 3.152 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)[C@H](C)CCC)CC1 ZINC000177909949 329189894 /nfs/dbraw/zinc/18/98/94/329189894.db2.gz BVGBJIZJLHVJSX-GDBMZVCRSA-N 2 2 252.446 3.441 20 30 CGEDLP C=CCCCC[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423048175 330167063 /nfs/dbraw/zinc/16/70/63/330167063.db2.gz HSYVBWFEIBXFJC-MSOLQXFVSA-N 2 2 288.435 3.434 20 30 CGEDLP C=C(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)c(F)c1 ZINC000423046356 330167230 /nfs/dbraw/zinc/16/72/30/330167230.db2.gz DJNANADFCZSTBZ-DVJFUJMWSA-N 2 2 292.373 3.455 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000423439983 330201577 /nfs/dbraw/zinc/20/15/77/330201577.db2.gz VQRFSTCMHCTJGC-ROUUACIJSA-N 2 2 270.420 3.208 20 30 CGEDLP C=CCOc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000044353311 330329265 /nfs/dbraw/zinc/32/92/65/330329265.db2.gz YSHZFMRBFXKKJE-UHFFFAOYSA-N 2 2 285.391 3.018 20 30 CGEDLP C#C[C@@H](CC)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000491816371 332367115 /nfs/dbraw/zinc/36/71/15/332367115.db2.gz WHRCBQIUDRXWER-HNNXBMFYSA-N 2 2 290.838 3.306 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926707791 618832571 /nfs/dbraw/zinc/83/25/71/618832571.db2.gz VEKSXEJOJZLAMV-LSDHHAIUSA-N 2 2 277.456 3.311 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926707791 618832573 /nfs/dbraw/zinc/83/25/73/618832573.db2.gz VEKSXEJOJZLAMV-LSDHHAIUSA-N 2 2 277.456 3.311 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000924983594 619475394 /nfs/dbraw/zinc/47/53/94/619475394.db2.gz GYWIUHXXWCQFRZ-HOTGVXAUSA-N 2 2 264.457 3.441 20 30 CGEDLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000895376240 619815882 /nfs/dbraw/zinc/81/58/82/619815882.db2.gz GRQWWOQEAIYUKC-BBRMVZONSA-N 2 2 291.464 3.172 20 30 CGEDLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000895376240 619815885 /nfs/dbraw/zinc/81/58/85/619815885.db2.gz GRQWWOQEAIYUKC-BBRMVZONSA-N 2 2 291.464 3.172 20 30 CGEDLP C=CCSCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902855318 621477062 /nfs/dbraw/zinc/47/70/62/621477062.db2.gz XKTWVDQJWPKTQB-AWEZNQCLSA-N 2 2 287.432 3.442 20 30 CGEDLP C=C(Cl)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000839555791 626759715 /nfs/dbraw/zinc/75/97/15/626759715.db2.gz LNQPNLSAMQAIPA-KBPBESRZSA-N 2 2 292.854 3.485 20 30 CGEDLP C=C(C)C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000783329540 628703874 /nfs/dbraw/zinc/70/38/74/628703874.db2.gz JILJBYRBHHKJLQ-INIZCTEOSA-N 2 2 258.409 3.205 20 30 CGEDLP C=C(C)C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000783329540 628703878 /nfs/dbraw/zinc/70/38/78/628703878.db2.gz JILJBYRBHHKJLQ-INIZCTEOSA-N 2 2 258.409 3.205 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000877009538 634948890 /nfs/dbraw/zinc/94/88/90/634948890.db2.gz PWQRQBLBWRVHHI-UHFFFAOYSA-N 2 2 293.842 3.052 20 30 CGEDLP C#C[C@H](CC)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877513320 635065766 /nfs/dbraw/zinc/06/57/66/635065766.db2.gz RBNHCXCNTUIPBG-ZHALLVOQSA-N 2 2 282.431 3.356 20 30 CGEDLP C#C[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877513320 635065774 /nfs/dbraw/zinc/06/57/74/635065774.db2.gz RBNHCXCNTUIPBG-ZHALLVOQSA-N 2 2 282.431 3.356 20 30 CGEDLP C=CC[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000878397924 635487377 /nfs/dbraw/zinc/48/73/77/635487377.db2.gz SXFKQOBNNSOOAK-ZIAGYGMSSA-N 2 2 255.365 3.488 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1 ZINC000883388133 636730493 /nfs/dbraw/zinc/73/04/93/636730493.db2.gz NQMOTPSVLDIMFM-BPQIPLTHSA-N 2 2 294.402 3.296 20 30 CGEDLP C=CCCCCC[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000850553939 637119141 /nfs/dbraw/zinc/11/91/41/637119141.db2.gz BCGNMTLQKXCRQG-SJLPKXTDSA-N 2 2 294.483 3.354 20 30 CGEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)s1 ZINC000135685287 637154617 /nfs/dbraw/zinc/15/46/17/637154617.db2.gz JOBDBNYSNLTBGC-AWEZNQCLSA-N 2 2 288.420 3.021 20 30 CGEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000854231494 638030105 /nfs/dbraw/zinc/03/01/05/638030105.db2.gz FJNLDDAUHSMNIC-CHWSQXEVSA-N 2 2 282.815 3.076 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(O)cc(F)c2)CC1 ZINC000924983420 638433921 /nfs/dbraw/zinc/43/39/21/638433921.db2.gz BYRBKDAMLZRCIC-CYBMUJFWSA-N 2 2 292.398 3.222 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(O)cc(F)c2)CC1 ZINC000924983421 638434404 /nfs/dbraw/zinc/43/44/04/638434404.db2.gz BYRBKDAMLZRCIC-ZDUSSCGKSA-N 2 2 292.398 3.222 20 30 CGEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925785625 638614320 /nfs/dbraw/zinc/61/43/20/638614320.db2.gz LROUDQDQZZZOIW-AXAPSJFSSA-N 2 2 294.826 3.076 20 30 CGEDLP CCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001252138677 806024224 /nfs/dbraw/zinc/02/42/24/806024224.db2.gz BZZMNPUBOYEQFJ-ZWKOTPCHSA-N 2 2 296.499 3.172 20 30 CGEDLP CCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001252138677 806024233 /nfs/dbraw/zinc/02/42/33/806024233.db2.gz BZZMNPUBOYEQFJ-ZWKOTPCHSA-N 2 2 296.499 3.172 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001252139677 806025921 /nfs/dbraw/zinc/02/59/21/806025921.db2.gz LALBMCAUUZBOCF-ROUUACIJSA-N 2 2 298.515 3.418 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001252139677 806025931 /nfs/dbraw/zinc/02/59/31/806025931.db2.gz LALBMCAUUZBOCF-ROUUACIJSA-N 2 2 298.515 3.418 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[NH2+]CC1C[NH+](C)C1 ZINC001252986985 806148291 /nfs/dbraw/zinc/14/82/91/806148291.db2.gz PEOCLXBKBXAWEL-KRWDZBQOSA-N 2 2 284.488 3.029 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246028132 804100272 /nfs/dbraw/zinc/10/02/72/804100272.db2.gz ZMKKSHRGFPXCGQ-ZWKOTPCHSA-N 2 2 294.483 3.092 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246028132 804100278 /nfs/dbraw/zinc/10/02/78/804100278.db2.gz ZMKKSHRGFPXCGQ-ZWKOTPCHSA-N 2 2 294.483 3.092 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001246062826 804104788 /nfs/dbraw/zinc/10/47/88/804104788.db2.gz JISPFGWZXILILD-ROUUACIJSA-N 2 2 294.483 3.090 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001246062826 804104793 /nfs/dbraw/zinc/10/47/93/804104793.db2.gz JISPFGWZXILILD-ROUUACIJSA-N 2 2 294.483 3.090 20 30 CGEDLP C=C1C[C@@H]2CC([NH2+][C@@H](C[NH3+])c3ccccc3)C[C@H](C1)C2 ZINC001246077669 804115730 /nfs/dbraw/zinc/11/57/30/804115730.db2.gz SVJLHHJCCFTQOQ-MPBLMAKGSA-N 2 2 270.420 3.411 20 30 CGEDLP CCCCCCCCC[C@H](C)[NH2+][C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001246149102 804169879 /nfs/dbraw/zinc/16/98/79/804169879.db2.gz CAWAUFHJBGUWNA-YVSFHVDLSA-N 2 2 282.472 3.235 20 30 CGEDLP CCCCCCCCC[C@@H](C)[NH2+][C@H]([NH3+])CCC[NH3+] ZINC001246299368 804266192 /nfs/dbraw/zinc/26/61/92/804266192.db2.gz HQSWBBTUNASOQI-CABCVRRESA-N 3 2 257.466 3.129 20 30 CGEDLP CCCCCCC[C@@H](CCC)[NH2+][C@H]([NH3+])CCC[NH3+] ZINC001246300148 804266351 /nfs/dbraw/zinc/26/63/51/804266351.db2.gz LVPCQUQMORYFDJ-CABCVRRESA-N 3 2 257.466 3.129 20 30 CGEDLP C=CCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001258717670 807567850 /nfs/dbraw/zinc/56/78/50/807567850.db2.gz SDOSEGBHTAUEKP-INIZCTEOSA-N 2 2 297.446 3.467 20 30 CGEDLP CC1(C)C[C@H]([NH2+]CC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977502 808162946 /nfs/dbraw/zinc/16/29/46/808162946.db2.gz BLDCFFPZDNRHGH-QGZVFWFLSA-N 2 2 297.446 3.323 20 30 CGEDLP CC1(C)C[C@H]([NH2+]CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977502 808162950 /nfs/dbraw/zinc/16/29/50/808162950.db2.gz BLDCFFPZDNRHGH-QGZVFWFLSA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172300987 808220787 /nfs/dbraw/zinc/22/07/87/808220787.db2.gz JEDKRCGYQWIKII-DLBZAZTESA-N 2 2 299.462 3.199 20 30 CGEDLP CCCCCCC[C@@H](CC)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001172357208 808252559 /nfs/dbraw/zinc/25/25/59/808252559.db2.gz JGPOZTKIFFDMKS-MRXNPFEDSA-N 2 2 284.488 3.172 20 30 CGEDLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CC(C)(C)CCC#N ZINC001177476017 809800809 /nfs/dbraw/zinc/80/08/09/809800809.db2.gz VIXCWRYEASXXML-HUUCEWRRSA-N 2 2 265.445 3.026 20 30 CGEDLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CC(C)(C)CCC#N ZINC001177476017 809800816 /nfs/dbraw/zinc/80/08/16/809800816.db2.gz VIXCWRYEASXXML-HUUCEWRRSA-N 2 2 265.445 3.026 20 30 CGEDLP N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001204369878 812622856 /nfs/dbraw/zinc/62/28/56/812622856.db2.gz HYJWRKCXKLIUJZ-IBGZPJMESA-N 2 2 297.446 3.399 20 30 CGEDLP N#Cc1ccccc1C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001204369878 812622863 /nfs/dbraw/zinc/62/28/63/812622863.db2.gz HYJWRKCXKLIUJZ-IBGZPJMESA-N 2 2 297.446 3.399 20 30 CGEDLP CCCCCCCCC[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235115197 819009396 /nfs/dbraw/zinc/00/93/96/819009396.db2.gz PDFGNEYNEOPRBK-KRWDZBQOSA-N 2 2 282.472 3.191 20 30 CGEDLP CCCCCCCCC[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235115197 819009401 /nfs/dbraw/zinc/00/94/01/819009401.db2.gz PDFGNEYNEOPRBK-KRWDZBQOSA-N 2 2 282.472 3.191 20 30 CGEDLP CCCCCCCC[N@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236328322 819426717 /nfs/dbraw/zinc/42/67/17/819426717.db2.gz PBILEVGMTDCEDM-INIZCTEOSA-N 2 2 270.461 3.047 20 30 CGEDLP CCCCCCCC[N@@H+](CCOC)[C@H]1CCC[NH2+]C1 ZINC001236328322 819426720 /nfs/dbraw/zinc/42/67/20/819426720.db2.gz PBILEVGMTDCEDM-INIZCTEOSA-N 2 2 270.461 3.047 20 30 CGEDLP C=CC[C@H]1CC[C@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)C1 ZINC001308971038 933217662 /nfs/dbraw/zinc/21/76/62/933217662.db2.gz PREAZRVOLVKDKH-JYJNAYRXSA-N 2 2 252.446 3.297 20 30 CGEDLP C#CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)CC1CC1 ZINC001320706487 934091669 /nfs/dbraw/zinc/09/16/69/934091669.db2.gz AYHUIODLWDCKEU-UHFFFAOYSA-N 2 2 279.387 3.026 20 30 CGEDLP C#CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1C)CC1CC1 ZINC001320706487 934091678 /nfs/dbraw/zinc/09/16/78/934091678.db2.gz AYHUIODLWDCKEU-UHFFFAOYSA-N 2 2 279.387 3.026 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@]2(C)CC)CC1 ZINC000651700578 398271461 /nfs/dbraw/zinc/27/14/61/398271461.db2.gz LDIXBXHJHWYACN-JKSUJKDBSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCCC[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000091508816 345817986 /nfs/dbraw/zinc/81/79/86/345817986.db2.gz AXYCOLISWTZFSD-HOTGVXAUSA-N 2 2 250.430 3.291 20 30 CGEDLP C=CCCC[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000091508816 345817989 /nfs/dbraw/zinc/81/79/89/345817989.db2.gz AXYCOLISWTZFSD-HOTGVXAUSA-N 2 2 250.430 3.291 20 30 CGEDLP C=CCOc1ccccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092072455 345829852 /nfs/dbraw/zinc/82/98/52/345829852.db2.gz AYTMAKUVYLAFRD-INIZCTEOSA-N 2 2 297.402 3.354 20 30 CGEDLP C=CCOc1ccccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092072455 345829855 /nfs/dbraw/zinc/82/98/55/345829855.db2.gz AYTMAKUVYLAFRD-INIZCTEOSA-N 2 2 297.402 3.354 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[N@@H+]1C1CC1 ZINC000594497165 347179390 /nfs/dbraw/zinc/17/93/90/347179390.db2.gz DDOOIAWKKYYRPX-WMLDXEAASA-N 2 2 297.446 3.203 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C[N@H+]1C1CC1 ZINC000594497165 347179394 /nfs/dbraw/zinc/17/93/94/347179394.db2.gz DDOOIAWKKYYRPX-WMLDXEAASA-N 2 2 297.446 3.203 20 30 CGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000594520937 347189100 /nfs/dbraw/zinc/18/91/00/347189100.db2.gz RSHAHONSLUOAOL-CEXWTWQISA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)CC2 ZINC000594520937 347189102 /nfs/dbraw/zinc/18/91/02/347189102.db2.gz RSHAHONSLUOAOL-CEXWTWQISA-N 2 2 295.430 3.152 20 30 CGEDLP N#CCCC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000594945779 347237886 /nfs/dbraw/zinc/23/78/86/347237886.db2.gz XIQPSFNVNAXZKJ-KRWDZBQOSA-N 2 2 294.402 3.354 20 30 CGEDLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594969681 347245486 /nfs/dbraw/zinc/24/54/86/347245486.db2.gz ZFZKZAJWIBHGCA-QGZVFWFLSA-N 2 2 299.462 3.450 20 30 CGEDLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594969681 347245490 /nfs/dbraw/zinc/24/54/90/347245490.db2.gz ZFZKZAJWIBHGCA-QGZVFWFLSA-N 2 2 299.462 3.450 20 30 CGEDLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(C#N)CCCCC1 ZINC000596650111 347498467 /nfs/dbraw/zinc/49/84/67/347498467.db2.gz GRBKICFPINIUEF-NVXWUHKLSA-N 2 2 285.435 3.009 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000602578756 347987247 /nfs/dbraw/zinc/98/72/47/347987247.db2.gz FYJUNCNFCQPEQT-MRXNPFEDSA-N 2 2 287.451 3.426 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000602578756 347987249 /nfs/dbraw/zinc/98/72/49/347987249.db2.gz FYJUNCNFCQPEQT-MRXNPFEDSA-N 2 2 287.451 3.426 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CC1 ZINC000624188998 349996517 /nfs/dbraw/zinc/99/65/17/349996517.db2.gz SENGVHRAKMZYQT-IRXDYDNUSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CC1 ZINC000624188998 349996523 /nfs/dbraw/zinc/99/65/23/349996523.db2.gz SENGVHRAKMZYQT-IRXDYDNUSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CC1 ZINC000624188999 349996911 /nfs/dbraw/zinc/99/69/11/349996911.db2.gz SENGVHRAKMZYQT-SJORKVTESA-N 2 2 262.441 3.338 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CC1 ZINC000624188999 349996916 /nfs/dbraw/zinc/99/69/16/349996916.db2.gz SENGVHRAKMZYQT-SJORKVTESA-N 2 2 262.441 3.338 20 30 CGEDLP N#Cc1cccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000040444266 283205494 /nfs/dbraw/zinc/20/54/94/283205494.db2.gz JTYNPMCOLDUGKR-UHFFFAOYSA-N 2 2 283.419 3.009 20 30 CGEDLP C=CCC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000178755637 189142955 /nfs/dbraw/zinc/14/29/55/189142955.db2.gz HOOGMYJPEAMPSU-MRXNPFEDSA-N 2 2 255.365 3.180 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H](CC(C)C)[NH+](C)C)C1CC1 ZINC000439090166 372971993 /nfs/dbraw/zinc/97/19/93/372971993.db2.gz XWQQCMDCDSHPOU-HOTGVXAUSA-N 2 2 252.446 3.297 20 30 CGEDLP C[C@]1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000442849470 373103109 /nfs/dbraw/zinc/10/31/09/373103109.db2.gz HJASTLJCFRTTHQ-GBESFXJTSA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@]1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCC[N@H+]1Cc1ccccc1 ZINC000442849470 373103110 /nfs/dbraw/zinc/10/31/10/373103110.db2.gz HJASTLJCFRTTHQ-GBESFXJTSA-N 2 2 297.446 3.323 20 30 CGEDLP CC1(C#N)CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000449064136 373659692 /nfs/dbraw/zinc/65/96/92/373659692.db2.gz OOONZJPIHANROF-JLAWEPINSA-N 2 2 297.446 3.323 20 30 CGEDLP CC1(C#N)CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449064136 373659697 /nfs/dbraw/zinc/65/96/97/373659697.db2.gz OOONZJPIHANROF-JLAWEPINSA-N 2 2 297.446 3.323 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000182868773 374337106 /nfs/dbraw/zinc/33/71/06/374337106.db2.gz QGJRYRYRJLCAII-SFHVURJKSA-N 2 2 288.410 3.443 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000185383591 374652726 /nfs/dbraw/zinc/65/27/26/374652726.db2.gz VUXGNHUWKDGNHS-GFCCVEGCSA-N 2 2 294.826 3.347 20 30 CGEDLP C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000185831363 374747504 /nfs/dbraw/zinc/74/75/04/374747504.db2.gz DQMCTKJMFKHNFA-NJAFHUGGSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000185831363 374747513 /nfs/dbraw/zinc/74/75/13/374747513.db2.gz DQMCTKJMFKHNFA-NJAFHUGGSA-N 2 2 285.435 3.179 20 30 CGEDLP N#CCC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000544370427 376724489 /nfs/dbraw/zinc/72/44/89/376724489.db2.gz KCBSRSYYSVXTRJ-UHFFFAOYSA-N 2 2 286.404 3.059 20 30 CGEDLP C=CCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000556257533 376861409 /nfs/dbraw/zinc/86/14/09/376861409.db2.gz GSSULNZXRFIQQF-SJORKVTESA-N 2 2 258.409 3.378 20 30 CGEDLP C=CCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000556257533 376861416 /nfs/dbraw/zinc/86/14/16/376861416.db2.gz GSSULNZXRFIQQF-SJORKVTESA-N 2 2 258.409 3.378 20 30 CGEDLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc(C#N)cc1F ZINC000574386889 377656759 /nfs/dbraw/zinc/65/67/59/377656759.db2.gz OAHFKCVJFCESQM-LBPRGKRZSA-N 2 2 298.365 3.081 20 30 CGEDLP C=C(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000268798846 378113839 /nfs/dbraw/zinc/11/38/39/378113839.db2.gz FRUREPSVWRECLR-UHFFFAOYSA-N 2 2 293.414 3.353 20 30 CGEDLP C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C[C@@H]1n1cc[nH+]c1 ZINC000375405558 379496928 /nfs/dbraw/zinc/49/69/28/379496928.db2.gz PUBKJWAYFJNUHH-CVEARBPZSA-N 2 2 288.439 3.486 20 30 CGEDLP C[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1n1cc[nH+]c1 ZINC000375405558 379496935 /nfs/dbraw/zinc/49/69/35/379496935.db2.gz PUBKJWAYFJNUHH-CVEARBPZSA-N 2 2 288.439 3.486 20 30 CGEDLP C[N@@H+]1CC[C@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000375069881 379485108 /nfs/dbraw/zinc/48/51/08/379485108.db2.gz CUTOCNBXLGVVLH-IRXDYDNUSA-N 2 2 285.435 3.351 20 30 CGEDLP C[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000375069881 379485117 /nfs/dbraw/zinc/48/51/17/379485117.db2.gz CUTOCNBXLGVVLH-IRXDYDNUSA-N 2 2 285.435 3.351 20 30 CGEDLP C=CC[NH+]1CCC(Nc2[nH+]ccc3ccc(F)cc32)CC1 ZINC000354342546 380406738 /nfs/dbraw/zinc/40/67/38/380406738.db2.gz GFLMRTOFLJVAHB-UHFFFAOYSA-N 2 2 285.366 3.436 20 30 CGEDLP CC#CC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000366452477 382309226 /nfs/dbraw/zinc/30/92/26/382309226.db2.gz ATJNXWHNGGNSGH-UHFFFAOYSA-N 2 2 267.376 3.005 20 30 CGEDLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(C#N)cc1F ZINC000358571162 533385013 /nfs/dbraw/zinc/38/50/13/533385013.db2.gz OLMDPUCHFNWHHU-CYBMUJFWSA-N 2 2 298.365 3.245 20 30 CGEDLP N#CCCC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000582119987 327879797 /nfs/dbraw/zinc/87/97/97/327879797.db2.gz XHVASXSEZLFKOX-UHFFFAOYSA-N 2 2 294.402 3.388 20 30 CGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H](C)C1CCOCC1)C(C)C ZINC000152074819 328056714 /nfs/dbraw/zinc/05/67/14/328056714.db2.gz NKSYUZXPTOQOPM-AEFFLSMTSA-N 2 2 294.483 3.090 20 30 CGEDLP C=C(CC)C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000313479341 327133249 /nfs/dbraw/zinc/13/32/49/327133249.db2.gz GFGGMYDGAAPENB-RDJZCZTQSA-N 2 2 258.409 3.205 20 30 CGEDLP C=C(CC)C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000313479341 327133250 /nfs/dbraw/zinc/13/32/50/327133250.db2.gz GFGGMYDGAAPENB-RDJZCZTQSA-N 2 2 258.409 3.205 20 30 CGEDLP N#CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000569604851 327209339 /nfs/dbraw/zinc/20/93/39/327209339.db2.gz BLTHSUWCIYQUQH-QGZVFWFLSA-N 2 2 295.430 3.077 20 30 CGEDLP N#CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000569604851 327209340 /nfs/dbraw/zinc/20/93/40/327209340.db2.gz BLTHSUWCIYQUQH-QGZVFWFLSA-N 2 2 295.430 3.077 20 30 CGEDLP C=CCC[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000422999886 330163722 /nfs/dbraw/zinc/16/37/22/330163722.db2.gz UBBOTZZDCHLZAY-JQHSSLGASA-N 2 2 288.435 3.051 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423415303 330197663 /nfs/dbraw/zinc/19/76/63/330197663.db2.gz DKTDVTGSPDNFSJ-VBQJREDUSA-N 2 2 258.409 3.064 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1CC ZINC000423500202 330208035 /nfs/dbraw/zinc/20/80/35/330208035.db2.gz KEMKEYCPKCSMRR-JJRVBVJISA-N 2 2 260.425 3.439 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCC)C(C)(C)C)CC1 ZINC000453088408 331088027 /nfs/dbraw/zinc/08/80/27/331088027.db2.gz AJTMJEIRKJBWJA-HNNXBMFYSA-N 2 2 252.446 3.441 20 30 CGEDLP C=C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000489468743 332054718 /nfs/dbraw/zinc/05/47/18/332054718.db2.gz BWZBNBXYENSSLA-INIZCTEOSA-N 2 2 267.376 3.413 20 30 CGEDLP C=C[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000489468743 332054719 /nfs/dbraw/zinc/05/47/19/332054719.db2.gz BWZBNBXYENSSLA-INIZCTEOSA-N 2 2 267.376 3.413 20 30 CGEDLP Cc1cc[nH+]cc1CCC[NH2+]CC(C)(C)CCC#N ZINC000576670689 335232933 /nfs/dbraw/zinc/23/29/33/335232933.db2.gz VIFPCARMRGQTDT-UHFFFAOYSA-N 2 2 259.397 3.242 20 30 CGEDLP C=CCCCCC[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347860690 527128820 /nfs/dbraw/zinc/12/88/20/527128820.db2.gz JSTKSYWHPDVBBG-UHFFFAOYSA-N 2 2 281.469 3.383 20 30 CGEDLP C=CCCCCC[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347860690 527128828 /nfs/dbraw/zinc/12/88/28/527128828.db2.gz JSTKSYWHPDVBBG-UHFFFAOYSA-N 2 2 281.469 3.383 20 30 CGEDLP C#CC[N@@H+](Cc1[nH+]cc(C)c(OC)c1C)C1CCCCC1 ZINC000731890746 572433919 /nfs/dbraw/zinc/43/39/19/572433919.db2.gz YVLCRKGMAFZDJW-UHFFFAOYSA-N 2 2 286.419 3.475 20 30 CGEDLP C#CC[N@H+](Cc1[nH+]cc(C)c(OC)c1C)C1CCCCC1 ZINC000731890746 572433920 /nfs/dbraw/zinc/43/39/20/572433920.db2.gz YVLCRKGMAFZDJW-UHFFFAOYSA-N 2 2 286.419 3.475 20 30 CGEDLP N#C[C@H]1CCC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895110686 619733804 /nfs/dbraw/zinc/73/38/04/619733804.db2.gz UGLXKGXFKRCEJX-QAETUUGQSA-N 2 2 298.434 3.240 20 30 CGEDLP CC[NH+]1CCC([N@H+](C)Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929778572 623630359 /nfs/dbraw/zinc/63/03/59/623630359.db2.gz JADCLSBPWTUOSC-UHFFFAOYSA-N 2 2 291.826 3.128 20 30 CGEDLP CC[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929778572 623630363 /nfs/dbraw/zinc/63/03/63/623630363.db2.gz JADCLSBPWTUOSC-UHFFFAOYSA-N 2 2 291.826 3.128 20 30 CGEDLP C=CC[C@@H](C)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000773011548 627841800 /nfs/dbraw/zinc/84/18/00/627841800.db2.gz UYWHECMQEZHWJY-OAHLLOKOSA-N 2 2 287.451 3.276 20 30 CGEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938633 632238964 /nfs/dbraw/zinc/23/89/64/632238964.db2.gz OQPQKFJWIZLOCO-NVXWUHKLSA-N 2 2 275.440 3.087 20 30 CGEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000866561843 633192462 /nfs/dbraw/zinc/19/24/62/633192462.db2.gz MLQGUMXRMULKGA-VYDXJSESSA-N 2 2 275.440 3.065 20 30 CGEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000866561843 633192468 /nfs/dbraw/zinc/19/24/68/633192468.db2.gz MLQGUMXRMULKGA-VYDXJSESSA-N 2 2 275.440 3.065 20 30 CGEDLP C#Cc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC000877673229 635140715 /nfs/dbraw/zinc/14/07/15/635140715.db2.gz CJNKTSUCAYTEBU-UHFFFAOYSA-N 2 2 282.431 3.118 20 30 CGEDLP C#CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000878155324 635383249 /nfs/dbraw/zinc/38/32/49/635383249.db2.gz NOPVKEISYWEPAY-SJORKVTESA-N 2 2 262.441 3.127 20 30 CGEDLP C#CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000878155324 635383252 /nfs/dbraw/zinc/38/32/52/635383252.db2.gz NOPVKEISYWEPAY-SJORKVTESA-N 2 2 262.441 3.127 20 30 CGEDLP C#CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000878155324 635383259 /nfs/dbraw/zinc/38/32/59/635383259.db2.gz NOPVKEISYWEPAY-SJORKVTESA-N 2 2 262.441 3.127 20 30 CGEDLP C#CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000878155324 635383263 /nfs/dbraw/zinc/38/32/63/635383263.db2.gz NOPVKEISYWEPAY-SJORKVTESA-N 2 2 262.441 3.127 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000924849672 638413839 /nfs/dbraw/zinc/41/38/39/638413839.db2.gz IAGUMRFOLXUZPI-HUUCEWRRSA-N 2 2 265.445 3.025 20 30 CGEDLP C=CCCCCC[C@H](C)[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925751437 638596438 /nfs/dbraw/zinc/59/64/38/638596438.db2.gz LYIPDEJZAYQIIT-ZDUSSCGKSA-N 2 2 293.480 3.485 20 30 CGEDLP C=CCCCCC[C@H](C)[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925751437 638596447 /nfs/dbraw/zinc/59/64/47/638596447.db2.gz LYIPDEJZAYQIIT-ZDUSSCGKSA-N 2 2 293.480 3.485 20 30 CGEDLP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927105939 638842556 /nfs/dbraw/zinc/84/25/56/638842556.db2.gz MOIDFVRYEQHGFH-AEFFLSMTSA-N 2 2 294.483 3.354 20 30 CGEDLP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927105939 638842557 /nfs/dbraw/zinc/84/25/57/638842557.db2.gz MOIDFVRYEQHGFH-AEFFLSMTSA-N 2 2 294.483 3.354 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001255164493 806563187 /nfs/dbraw/zinc/56/31/87/806563187.db2.gz KUBWQNMGWLEONE-HZPDHXFCSA-N 2 2 275.440 3.089 20 30 CGEDLP C[C@]1(C#N)CC[N@@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409959 806635013 /nfs/dbraw/zinc/63/50/13/806635013.db2.gz OAMSXZZMPLGTHU-RTBURBONSA-N 2 2 297.446 3.277 20 30 CGEDLP C[C@]1(C#N)CC[N@H+]([C@@H]2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC001255409959 806635020 /nfs/dbraw/zinc/63/50/20/806635020.db2.gz OAMSXZZMPLGTHU-RTBURBONSA-N 2 2 297.446 3.277 20 30 CGEDLP C[C@]1(C#N)CC[NH+]([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC001255409959 806635026 /nfs/dbraw/zinc/63/50/26/806635026.db2.gz OAMSXZZMPLGTHU-RTBURBONSA-N 2 2 297.446 3.277 20 30 CGEDLP C[C@]1(C#N)CC[NH+]([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409959 806635029 /nfs/dbraw/zinc/63/50/29/806635029.db2.gz OAMSXZZMPLGTHU-RTBURBONSA-N 2 2 297.446 3.277 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000327970422 799248945 /nfs/dbraw/zinc/24/89/45/799248945.db2.gz FZLIIKKZFKPMQU-CQSZACIVSA-N 2 2 270.376 3.039 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000327970422 799248949 /nfs/dbraw/zinc/24/89/49/799248949.db2.gz FZLIIKKZFKPMQU-CQSZACIVSA-N 2 2 270.376 3.039 20 30 CGEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C#N ZINC000405149128 799581616 /nfs/dbraw/zinc/58/16/16/799581616.db2.gz FRCCMQVGANSZLD-DOTOQJQBSA-N 2 2 285.435 3.036 20 30 CGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C#N ZINC000405149128 799581619 /nfs/dbraw/zinc/58/16/19/799581619.db2.gz FRCCMQVGANSZLD-DOTOQJQBSA-N 2 2 285.435 3.036 20 30 CGEDLP C#C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC000702304317 799907638 /nfs/dbraw/zinc/90/76/38/799907638.db2.gz AKUFKBOGFXPZOL-MRXNPFEDSA-N 2 2 267.376 3.010 20 30 CGEDLP CC[NH+](CC)CC[C@H](C)[N@H+](CCC#N)C1CCCC1 ZINC001255959964 806800854 /nfs/dbraw/zinc/80/08/54/806800854.db2.gz CALOCYCVZFBBBD-HNNXBMFYSA-N 2 2 265.445 3.265 20 30 CGEDLP CC[NH+](CC)CC[C@H](C)[N@@H+](CCC#N)C1CCCC1 ZINC001255959964 806800862 /nfs/dbraw/zinc/80/08/62/806800862.db2.gz CALOCYCVZFBBBD-HNNXBMFYSA-N 2 2 265.445 3.265 20 30 CGEDLP C#C[C@@](C)(CC)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256599854 806923843 /nfs/dbraw/zinc/92/38/43/806923843.db2.gz GEMDMGJPPASTDQ-SFHVURJKSA-N 2 2 270.420 3.043 20 30 CGEDLP Cc1c(C#N)cccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244818057 803535610 /nfs/dbraw/zinc/53/56/10/803535610.db2.gz NZBZDEUFFQHTAO-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1c(C#N)cccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244818057 803535613 /nfs/dbraw/zinc/53/56/13/803535613.db2.gz NZBZDEUFFQHTAO-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1c(C#N)cccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244817515 803535902 /nfs/dbraw/zinc/53/59/02/803535902.db2.gz FWGWUFCVXQFQJY-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1c(C#N)cccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244817515 803535905 /nfs/dbraw/zinc/53/59/05/803535905.db2.gz FWGWUFCVXQFQJY-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[NH+]1CC(C[NH2+]C)C1 ZINC001246032455 804103072 /nfs/dbraw/zinc/10/30/72/804103072.db2.gz SZSQMDKNOXYNIP-KRWDZBQOSA-N 2 2 284.488 3.029 20 30 CGEDLP CCCCCCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC001246093558 804125751 /nfs/dbraw/zinc/12/57/51/804125751.db2.gz OKUYBLFEWBJDNT-JKSUJKDBSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCC[C@@H](CC)[NH2+]C1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246133870 804158912 /nfs/dbraw/zinc/15/89/12/804158912.db2.gz KIRFYJVZNDTXJI-MGNMYUMUSA-N 2 2 282.472 3.235 20 30 CGEDLP CCCCCCC[C@@H](CC)[N@@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001246991041 804631944 /nfs/dbraw/zinc/63/19/44/804631944.db2.gz YDUVKOKAJXEBSE-IAGOWNOFSA-N 2 2 282.472 3.190 20 30 CGEDLP CCCCCCC[C@@H](CC)[N@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001246991041 804631947 /nfs/dbraw/zinc/63/19/47/804631947.db2.gz YDUVKOKAJXEBSE-IAGOWNOFSA-N 2 2 282.472 3.190 20 30 CGEDLP C=C1C[C@@H]2CC([N@H+]3CCn4c(C)[nH+]cc4C3)C[C@H](C1)C2 ZINC001257891079 807241466 /nfs/dbraw/zinc/24/14/66/807241466.db2.gz CXCIBYXYKKYYHM-XYPWUTKMSA-N 2 2 271.408 3.142 20 30 CGEDLP C=C1C[C@@H]2CC([N@@H+]3CCn4c(C)[nH+]cc4C3)C[C@H](C1)C2 ZINC001257891079 807241469 /nfs/dbraw/zinc/24/14/69/807241469.db2.gz CXCIBYXYKKYYHM-XYPWUTKMSA-N 2 2 271.408 3.142 20 30 CGEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001171189410 808004339 /nfs/dbraw/zinc/00/43/39/808004339.db2.gz FTSXQEXRCTXXMJ-IAGOWNOFSA-N 2 2 299.462 3.199 20 30 CGEDLP C[C@@H](Cc1cccc(C#N)c1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001171220661 808011146 /nfs/dbraw/zinc/01/11/46/808011146.db2.gz APTQALVFCDJYCN-YOEHRIQHSA-N 2 2 294.402 3.025 20 30 CGEDLP CCCCCCCC[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201840198 811969659 /nfs/dbraw/zinc/96/96/59/811969659.db2.gz OSMGGCMHCAOFLO-HOTGVXAUSA-N 2 2 252.446 3.373 20 30 CGEDLP CCCCCCCC[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201840198 811969663 /nfs/dbraw/zinc/96/96/63/811969663.db2.gz OSMGGCMHCAOFLO-HOTGVXAUSA-N 2 2 252.446 3.373 20 30 CGEDLP CCCCCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001201840198 811969667 /nfs/dbraw/zinc/96/96/67/811969667.db2.gz OSMGGCMHCAOFLO-HOTGVXAUSA-N 2 2 252.446 3.373 20 30 CGEDLP CCCCCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001201840198 811969671 /nfs/dbraw/zinc/96/96/71/811969671.db2.gz OSMGGCMHCAOFLO-HOTGVXAUSA-N 2 2 252.446 3.373 20 30 CGEDLP CCCCCCCC[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206337292 813294753 /nfs/dbraw/zinc/29/47/53/813294753.db2.gz SBKTZWHAVSIFIU-HNNXBMFYSA-N 2 2 258.425 3.500 20 30 CGEDLP CCCCCCCC[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206337292 813294760 /nfs/dbraw/zinc/29/47/60/813294760.db2.gz SBKTZWHAVSIFIU-HNNXBMFYSA-N 2 2 258.425 3.500 20 30 CGEDLP C=CCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001209202577 813966668 /nfs/dbraw/zinc/96/66/68/813966668.db2.gz FTHINOYMGBWFHE-RTBURBONSA-N 2 2 299.462 3.192 20 30 CGEDLP C=CCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccncc3)CC[C@@H]2C1 ZINC001209202577 813966670 /nfs/dbraw/zinc/96/66/70/813966670.db2.gz FTHINOYMGBWFHE-RTBURBONSA-N 2 2 299.462 3.192 20 30 CGEDLP C=CCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001209202577 813966675 /nfs/dbraw/zinc/96/66/75/813966675.db2.gz FTHINOYMGBWFHE-RTBURBONSA-N 2 2 299.462 3.192 20 30 CGEDLP C=CCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccncc3)CC[C@@H]2C1 ZINC001209202577 813966680 /nfs/dbraw/zinc/96/66/80/813966680.db2.gz FTHINOYMGBWFHE-RTBURBONSA-N 2 2 299.462 3.192 20 30 CGEDLP C=CCCCCC[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001209423579 814026093 /nfs/dbraw/zinc/02/60/93/814026093.db2.gz XVTOQMDWUXPKEY-QZTJIDSGSA-N 2 2 299.462 3.192 20 30 CGEDLP CCCCCCC/C=C/C[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235114011 819008304 /nfs/dbraw/zinc/00/83/04/819008304.db2.gz IPNPLZZRKQYDOP-BLGFXRMMSA-N 2 2 294.483 3.358 20 30 CGEDLP CCCCCCC/C=C/C[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001235114011 819008308 /nfs/dbraw/zinc/00/83/08/819008308.db2.gz IPNPLZZRKQYDOP-BLGFXRMMSA-N 2 2 294.483 3.358 20 30 CGEDLP C#C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236915875 819637394 /nfs/dbraw/zinc/63/73/94/819637394.db2.gz GBOBGKXCIKWWEF-CQSZACIVSA-N 2 2 299.805 3.371 20 30 CGEDLP C#C[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)C1 ZINC001236915875 819637395 /nfs/dbraw/zinc/63/73/95/819637395.db2.gz GBOBGKXCIKWWEF-CQSZACIVSA-N 2 2 299.805 3.371 20 30 CGEDLP CCc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1C#N ZINC001238768451 820112736 /nfs/dbraw/zinc/11/27/36/820112736.db2.gz JBMSFZGIKUXUQX-UHFFFAOYSA-N 2 2 294.402 3.154 20 30 CGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C/C=C/C3CC3)CC2)cc1 ZINC001343902022 936518102 /nfs/dbraw/zinc/51/81/02/936518102.db2.gz KYMYFQQZCAIKQC-OWOJBTEDSA-N 2 2 295.430 3.078 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001461811856 937598557 /nfs/dbraw/zinc/59/85/57/937598557.db2.gz QKISVGYMCISXET-CABCVRRESA-N 2 2 250.430 3.053 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001461811856 937598560 /nfs/dbraw/zinc/59/85/60/937598560.db2.gz QKISVGYMCISXET-CABCVRRESA-N 2 2 250.430 3.053 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC001473924940 937830288 /nfs/dbraw/zinc/83/02/88/937830288.db2.gz QLJKZTHRCVTPSM-OWCLPIDISA-N 2 2 252.446 3.297 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2CC)C1 ZINC001473998991 937834549 /nfs/dbraw/zinc/83/45/49/937834549.db2.gz HLFWNTHQCLZZEM-OAGGEKHMSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001473998991 937834550 /nfs/dbraw/zinc/83/45/50/937834550.db2.gz HLFWNTHQCLZZEM-OAGGEKHMSA-N 2 2 250.430 3.195 20 30 CGEDLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000423507788 529617041 /nfs/dbraw/zinc/61/70/41/529617041.db2.gz QLKFCCYRMAWRQK-AUUYWEPGSA-N 2 2 293.414 3.471 20 30 CGEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092071398 345830031 /nfs/dbraw/zinc/83/00/31/345830031.db2.gz ZQERJABVMKXWSV-MRXNPFEDSA-N 2 2 297.402 3.354 20 30 CGEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092071398 345830037 /nfs/dbraw/zinc/83/00/37/345830037.db2.gz ZQERJABVMKXWSV-MRXNPFEDSA-N 2 2 297.402 3.354 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000405216991 346603237 /nfs/dbraw/zinc/60/32/37/346603237.db2.gz ITSUNYCBXPLDRO-NVXWUHKLSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000405216991 346603238 /nfs/dbraw/zinc/60/32/38/346603238.db2.gz ITSUNYCBXPLDRO-NVXWUHKLSA-N 2 2 285.435 3.179 20 30 CGEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494376 347177883 /nfs/dbraw/zinc/17/78/83/347177883.db2.gz YSAFRTRAKQXGLV-KRWDZBQOSA-N 2 2 285.435 3.062 20 30 CGEDLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494376 347177885 /nfs/dbraw/zinc/17/78/85/347177885.db2.gz YSAFRTRAKQXGLV-KRWDZBQOSA-N 2 2 285.435 3.062 20 30 CGEDLP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000595051905 347270089 /nfs/dbraw/zinc/27/00/89/347270089.db2.gz XCBQGNDMPVJLJX-DLBZAZTESA-N 2 2 285.435 3.472 20 30 CGEDLP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000595051905 347270090 /nfs/dbraw/zinc/27/00/90/347270090.db2.gz XCBQGNDMPVJLJX-DLBZAZTESA-N 2 2 285.435 3.472 20 30 CGEDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595096320 347283039 /nfs/dbraw/zinc/28/30/39/347283039.db2.gz JAGFYPMJMGUTNX-AEFFLSMTSA-N 2 2 283.419 3.010 20 30 CGEDLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595096320 347283043 /nfs/dbraw/zinc/28/30/43/347283043.db2.gz JAGFYPMJMGUTNX-AEFFLSMTSA-N 2 2 283.419 3.010 20 30 CGEDLP CCc1ccc([C@@H](C[NH2+]C[C@@H](C)CCC#N)[NH+](C)C)cc1 ZINC000602505185 347972362 /nfs/dbraw/zinc/97/23/62/347972362.db2.gz SZKLGWWOMWZUPR-MAUKXSAKSA-N 2 2 287.451 3.381 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000602665185 348004222 /nfs/dbraw/zinc/00/42/22/348004222.db2.gz SSACBXRUKGLSEF-SOLBZPMBSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000602665185 348004223 /nfs/dbraw/zinc/00/42/23/348004223.db2.gz SSACBXRUKGLSEF-SOLBZPMBSA-N 2 2 285.435 3.179 20 30 CGEDLP N#CC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000602548596 347979845 /nfs/dbraw/zinc/97/98/45/347979845.db2.gz SZEOJNHDIBIREG-KVZIAJEVSA-N 2 2 297.446 3.323 20 30 CGEDLP N#CC1CCC([NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000602548596 347979848 /nfs/dbraw/zinc/97/98/48/347979848.db2.gz SZEOJNHDIBIREG-KVZIAJEVSA-N 2 2 297.446 3.323 20 30 CGEDLP Cc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1C#N ZINC000602954835 348046737 /nfs/dbraw/zinc/04/67/37/348046737.db2.gz IWGLJRXOGNMNHP-UHFFFAOYSA-N 2 2 297.446 3.317 20 30 CGEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609823361 348354169 /nfs/dbraw/zinc/35/41/69/348354169.db2.gz ADUIIVMRIZFAAX-PBHICJAKSA-N 2 2 280.375 3.153 20 30 CGEDLP C[N@@H+]1CCC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000611255136 348432244 /nfs/dbraw/zinc/43/22/44/348432244.db2.gz ZEBURJSEWKJOKY-XBMUEBEBSA-N 2 2 297.446 3.074 20 30 CGEDLP C[N@H+]1CCC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000611255136 348432247 /nfs/dbraw/zinc/43/22/47/348432247.db2.gz ZEBURJSEWKJOKY-XBMUEBEBSA-N 2 2 297.446 3.074 20 30 CGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CCC1 ZINC000611438877 348452484 /nfs/dbraw/zinc/45/24/84/348452484.db2.gz ZKOSVYFVNJJHRS-HNNXBMFYSA-N 2 2 297.446 3.301 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000153038668 188060359 /nfs/dbraw/zinc/06/03/59/188060359.db2.gz HOXKBUNWSUDQMA-OAHLLOKOSA-N 2 2 290.455 3.155 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000177907012 189078524 /nfs/dbraw/zinc/07/85/24/189078524.db2.gz QPUVYVZCFAKTCP-ZDUSSCGKSA-N 2 2 292.398 3.135 20 30 CGEDLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(C#N)cc1 ZINC000181867115 189308918 /nfs/dbraw/zinc/30/89/18/189308918.db2.gz JDQFPZQZBVRERD-CQSZACIVSA-N 2 2 280.375 3.106 20 30 CGEDLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000020047912 368795917 /nfs/dbraw/zinc/79/59/17/368795917.db2.gz WAZXVYPGVWIBIE-CQSZACIVSA-N 2 2 289.398 3.051 20 30 CGEDLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000020047912 368795921 /nfs/dbraw/zinc/79/59/21/368795921.db2.gz WAZXVYPGVWIBIE-CQSZACIVSA-N 2 2 289.398 3.051 20 30 CGEDLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000020047915 368796073 /nfs/dbraw/zinc/79/60/73/368796073.db2.gz WAZXVYPGVWIBIE-AWEZNQCLSA-N 2 2 289.398 3.051 20 30 CGEDLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000020047915 368796078 /nfs/dbraw/zinc/79/60/78/368796078.db2.gz WAZXVYPGVWIBIE-AWEZNQCLSA-N 2 2 289.398 3.051 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H](C)[NH+]1CCC(C)CC1)C1CC1 ZINC000439083662 372972816 /nfs/dbraw/zinc/97/28/16/372972816.db2.gz CZSSJOFCHJYSTA-RDJZCZTQSA-N 2 2 264.457 3.441 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442635065 373058818 /nfs/dbraw/zinc/05/88/18/373058818.db2.gz OOHPGIQLYKAGTC-HUUCEWRRSA-N 2 2 282.391 3.017 20 30 CGEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000442651201 373061647 /nfs/dbraw/zinc/06/16/47/373061647.db2.gz PZLOSBIXHPNIMM-BPQIPLTHSA-N 2 2 283.419 3.105 20 30 CGEDLP N#C[C@@H]1CC[C@H]([NH2+][C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000442657869 373061896 /nfs/dbraw/zinc/06/18/96/373061896.db2.gz WBARFZYCHDBRJU-BPQIPLTHSA-N 2 2 283.419 3.105 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442774863 373077614 /nfs/dbraw/zinc/07/76/14/373077614.db2.gz FKVNQWMHGNMTFL-UHFFFAOYSA-N 2 2 272.383 3.050 20 30 CGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449444461 373719664 /nfs/dbraw/zinc/71/96/64/373719664.db2.gz AOYAASVLBYRZIP-KCITZHQASA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449444461 373719669 /nfs/dbraw/zinc/71/96/69/373719669.db2.gz AOYAASVLBYRZIP-KCITZHQASA-N 2 2 297.446 3.494 20 30 CGEDLP C=C(CC)C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449735913 373862886 /nfs/dbraw/zinc/86/28/86/373862886.db2.gz SKURZGZRJASEMG-RDJZCZTQSA-N 2 2 258.409 3.378 20 30 CGEDLP C=C(CC)C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449735913 373862890 /nfs/dbraw/zinc/86/28/90/373862890.db2.gz SKURZGZRJASEMG-RDJZCZTQSA-N 2 2 258.409 3.378 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185885439 374761837 /nfs/dbraw/zinc/76/18/37/374761837.db2.gz OCDAJCALSDQWOH-GJZGRUSLSA-N 2 2 282.391 3.017 20 30 CGEDLP C[N@@H+](CC#Cc1ccc(Cl)cc1)CCC[NH+]1CCCC1 ZINC000499928263 375632951 /nfs/dbraw/zinc/63/29/51/375632951.db2.gz LZJJWMQTRNXWOB-UHFFFAOYSA-N 2 2 290.838 3.109 20 30 CGEDLP C[N@H+](CC#Cc1ccc(Cl)cc1)CCC[NH+]1CCCC1 ZINC000499928263 375632954 /nfs/dbraw/zinc/63/29/54/375632954.db2.gz LZJJWMQTRNXWOB-UHFFFAOYSA-N 2 2 290.838 3.109 20 30 CGEDLP C=CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccco1 ZINC000530218934 375939879 /nfs/dbraw/zinc/93/98/79/375939879.db2.gz XTUPXBLPXAUGKL-UKRRQHHQSA-N 2 2 260.381 3.161 20 30 CGEDLP C#CCCCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000246124841 376971705 /nfs/dbraw/zinc/97/17/05/376971705.db2.gz SYPHUBKNZSAGOX-FUHWJXTLSA-N 2 2 270.420 3.215 20 30 CGEDLP C#CCCCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000246124841 376971712 /nfs/dbraw/zinc/97/17/12/376971712.db2.gz SYPHUBKNZSAGOX-FUHWJXTLSA-N 2 2 270.420 3.215 20 30 CGEDLP C=C(C[NH2+]Cc1c[nH+]c2c(C)cccn12)c1ccccc1 ZINC000343822636 378103571 /nfs/dbraw/zinc/10/35/71/378103571.db2.gz ZCVYJCIEXVRPLZ-UHFFFAOYSA-N 2 2 277.371 3.446 20 30 CGEDLP C=CCC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270367147 378342110 /nfs/dbraw/zinc/34/21/10/378342110.db2.gz SSZDNWVTAJVVKI-HNNXBMFYSA-N 2 2 269.392 3.385 20 30 CGEDLP C=CCC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270367147 378342113 /nfs/dbraw/zinc/34/21/13/378342113.db2.gz SSZDNWVTAJVVKI-HNNXBMFYSA-N 2 2 269.392 3.385 20 30 CGEDLP C#CCCC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000271034364 378433807 /nfs/dbraw/zinc/43/38/07/378433807.db2.gz LMUFLPJPUGHVFS-INIZCTEOSA-N 2 2 281.403 3.223 20 30 CGEDLP C#CCCC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000271034364 378433811 /nfs/dbraw/zinc/43/38/11/378433811.db2.gz LMUFLPJPUGHVFS-INIZCTEOSA-N 2 2 281.403 3.223 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347088705 218117272 /nfs/dbraw/zinc/11/72/72/218117272.db2.gz ODYWADLISQAGBM-KDOFPFPSSA-N 2 2 293.370 3.168 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347088705 218117275 /nfs/dbraw/zinc/11/72/75/218117275.db2.gz ODYWADLISQAGBM-KDOFPFPSSA-N 2 2 293.370 3.168 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)C1CC1 ZINC000372186980 379190044 /nfs/dbraw/zinc/19/00/44/379190044.db2.gz UEVBSYMAZCNOBB-HZPDHXFCSA-N 2 2 273.424 3.403 20 30 CGEDLP N#CC1(CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCCCC1 ZINC000411326626 380142964 /nfs/dbraw/zinc/14/29/64/380142964.db2.gz PYURYDMAGACHME-QGZVFWFLSA-N 2 2 299.418 3.399 20 30 CGEDLP N#CC1(CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCCCC1 ZINC000411326626 380142969 /nfs/dbraw/zinc/14/29/69/380142969.db2.gz PYURYDMAGACHME-QGZVFWFLSA-N 2 2 299.418 3.399 20 30 CGEDLP C=CC[C@@H](CC)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000361441835 381749532 /nfs/dbraw/zinc/74/95/32/381749532.db2.gz DFHSCHLBRHMZOI-GFCCVEGCSA-N 2 2 278.362 3.348 20 30 CGEDLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC000109787447 392374948 /nfs/dbraw/zinc/37/49/48/392374948.db2.gz VILHVPDDTCOFPI-UHFFFAOYSA-N 2 2 289.398 3.004 20 30 CGEDLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC000109787447 392374957 /nfs/dbraw/zinc/37/49/57/392374957.db2.gz VILHVPDDTCOFPI-UHFFFAOYSA-N 2 2 289.398 3.004 20 30 CGEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000119991786 392398959 /nfs/dbraw/zinc/39/89/59/392398959.db2.gz INUQZDDNBUOXER-HNNXBMFYSA-N 2 2 288.439 3.005 20 30 CGEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000119991786 392398967 /nfs/dbraw/zinc/39/89/67/392398967.db2.gz INUQZDDNBUOXER-HNNXBMFYSA-N 2 2 288.439 3.005 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2CC)CC1 ZINC000181746568 392735638 /nfs/dbraw/zinc/73/56/38/392735638.db2.gz DKXTYTVRHKVFLE-GOEBONIOSA-N 2 2 250.430 3.195 20 30 CGEDLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000339095796 392949261 /nfs/dbraw/zinc/94/92/61/392949261.db2.gz ILPUJXVBMLVEQE-OTWHNJEPSA-N 2 2 299.462 3.425 20 30 CGEDLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000339095796 392949268 /nfs/dbraw/zinc/94/92/68/392949268.db2.gz ILPUJXVBMLVEQE-OTWHNJEPSA-N 2 2 299.462 3.425 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417311475 393347793 /nfs/dbraw/zinc/34/77/93/393347793.db2.gz MAFCMHZGPBKNTA-CWRNSKLLSA-N 2 2 290.476 3.480 20 30 CGEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423563843 393673232 /nfs/dbraw/zinc/67/32/32/393673232.db2.gz RNIQMPHLIDMROZ-FUHWJXTLSA-N 2 2 283.419 3.057 20 30 CGEDLP C=CC[N@@H+](Cc1c[nH+]c(C)n1C)CC1CCCCC1 ZINC000667630358 542900505 /nfs/dbraw/zinc/90/05/05/542900505.db2.gz AYVUIAJBWNGTHJ-UHFFFAOYSA-N 2 2 261.413 3.297 20 30 CGEDLP CCC#C[C@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000677950862 543474316 /nfs/dbraw/zinc/47/43/16/543474316.db2.gz AKPCDXCAYJCYDY-KRWDZBQOSA-N 2 2 299.462 3.422 20 30 CGEDLP CCC#C[C@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000677950862 543474318 /nfs/dbraw/zinc/47/43/18/543474318.db2.gz AKPCDXCAYJCYDY-KRWDZBQOSA-N 2 2 299.462 3.422 20 30 CGEDLP C=CC[N@@H+](CCc1c[nH+]cn1C)Cc1ccc(Cl)s1 ZINC000297908761 260137493 /nfs/dbraw/zinc/13/74/93/260137493.db2.gz SDXQCPQOSRHOLE-UHFFFAOYSA-N 2 2 295.839 3.366 20 30 CGEDLP C=CC[N@H+](CCc1c[nH+]cn1C)Cc1ccc(Cl)s1 ZINC000297908761 260137495 /nfs/dbraw/zinc/13/74/95/260137495.db2.gz SDXQCPQOSRHOLE-UHFFFAOYSA-N 2 2 295.839 3.366 20 30 CGEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000365630752 262376848 /nfs/dbraw/zinc/37/68/48/262376848.db2.gz PKOPXBNUQRCWCT-OAHLLOKOSA-N 2 2 288.439 3.320 20 30 CGEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000365630752 262376850 /nfs/dbraw/zinc/37/68/50/262376850.db2.gz PKOPXBNUQRCWCT-OAHLLOKOSA-N 2 2 288.439 3.320 20 30 CGEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000161894855 264299067 /nfs/dbraw/zinc/29/90/67/264299067.db2.gz XLDONNQYZDECEQ-UHFFFAOYSA-N 2 2 299.418 3.360 20 30 CGEDLP C=CC[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000161894855 264299070 /nfs/dbraw/zinc/29/90/70/264299070.db2.gz XLDONNQYZDECEQ-UHFFFAOYSA-N 2 2 299.418 3.360 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000294221842 265004069 /nfs/dbraw/zinc/00/40/69/265004069.db2.gz NQZHWZFRVQXOSE-UHFFFAOYSA-N 2 2 284.447 3.347 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccccc2OC)CC1 ZINC000177912676 329190302 /nfs/dbraw/zinc/19/03/02/329190302.db2.gz OOZRXYVOKDTQGW-QGZVFWFLSA-N 2 2 288.435 3.386 20 30 CGEDLP C=CCC[C@@H]([NH2+][C@H](C[NH3+])CCCC)c1ccco1 ZINC000423303820 330189047 /nfs/dbraw/zinc/18/90/47/330189047.db2.gz XOIRLMPUKYPFPN-UONOGXRCSA-N 2 2 250.386 3.394 20 30 CGEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000453357512 331121909 /nfs/dbraw/zinc/12/19/09/331121909.db2.gz ONAUYUVHGTZPNW-QGTPRVQTSA-N 2 2 297.402 3.257 20 30 CGEDLP C#C[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(Cl)cc1 ZINC000491553471 332236071 /nfs/dbraw/zinc/23/60/71/332236071.db2.gz ADHFQZQMGRBNJN-MRXNPFEDSA-N 2 2 276.811 3.088 20 30 CGEDLP C=C(C)CC[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000386932220 336182516 /nfs/dbraw/zinc/18/25/16/336182516.db2.gz UBMNKVVIZXZPGC-RDJZCZTQSA-N 2 2 258.409 3.205 20 30 CGEDLP C=C(C)CC[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000386932220 336182517 /nfs/dbraw/zinc/18/25/17/336182517.db2.gz UBMNKVVIZXZPGC-RDJZCZTQSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CCCCCC[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000793556427 619732043 /nfs/dbraw/zinc/73/20/43/619732043.db2.gz GJQAUWAAXIBFNB-LSDHHAIUSA-N 2 2 261.413 3.313 20 30 CGEDLP CC[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000902484211 621352744 /nfs/dbraw/zinc/35/27/44/621352744.db2.gz USBYTJHPZNNOOC-IRXDYDNUSA-N 2 2 271.408 3.131 20 30 CGEDLP C=CCC[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@]1(C)CCCCO1 ZINC000902721069 621409235 /nfs/dbraw/zinc/40/92/35/621409235.db2.gz TWJFKQVXZSHELR-IAGOWNOFSA-N 2 2 291.439 3.157 20 30 CGEDLP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902790353 621447972 /nfs/dbraw/zinc/44/79/72/621447972.db2.gz PUDCJUDYFGSCFW-OAHLLOKOSA-N 2 2 288.439 3.116 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)oc2C)CC1 ZINC000120045533 629834133 /nfs/dbraw/zinc/83/41/33/629834133.db2.gz GWLYOSHQMMMZHE-UHFFFAOYSA-N 2 2 262.397 3.027 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000866561957 633193888 /nfs/dbraw/zinc/19/38/88/633193888.db2.gz MQPMZTOZVZXNPH-NUJGCVRESA-N 2 2 289.467 3.455 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000866561957 633193894 /nfs/dbraw/zinc/19/38/94/633193894.db2.gz MQPMZTOZVZXNPH-NUJGCVRESA-N 2 2 289.467 3.455 20 30 CGEDLP C#CC[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000886363736 637514510 /nfs/dbraw/zinc/51/45/10/637514510.db2.gz AIUYIUBKNNRRHE-MRXNPFEDSA-N 2 2 279.387 3.026 20 30 CGEDLP C#CC[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC000886363736 637514517 /nfs/dbraw/zinc/51/45/17/637514517.db2.gz AIUYIUBKNNRRHE-MRXNPFEDSA-N 2 2 279.387 3.026 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000924806193 638408480 /nfs/dbraw/zinc/40/84/80/638408480.db2.gz AEBRROBZQHCNML-AWEZNQCLSA-N 2 2 282.391 3.290 20 30 CGEDLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000925052197 638443496 /nfs/dbraw/zinc/44/34/96/638443496.db2.gz PHGCKMATQWCTNW-CABCVRRESA-N 2 2 265.445 3.169 20 30 CGEDLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000925052197 638443500 /nfs/dbraw/zinc/44/35/00/638443500.db2.gz PHGCKMATQWCTNW-CABCVRRESA-N 2 2 265.445 3.169 20 30 CGEDLP CC[C@@H](CC#N)[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001255173408 806566714 /nfs/dbraw/zinc/56/67/14/806566714.db2.gz AANMFQASNZNLRS-JYJNAYRXSA-N 2 2 263.429 3.017 20 30 CGEDLP CC[C@@H](CC#N)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001255173408 806566721 /nfs/dbraw/zinc/56/67/21/806566721.db2.gz AANMFQASNZNLRS-JYJNAYRXSA-N 2 2 263.429 3.017 20 30 CGEDLP CC[C@@H](CC#N)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001255173408 806566728 /nfs/dbraw/zinc/56/67/28/806566728.db2.gz AANMFQASNZNLRS-JYJNAYRXSA-N 2 2 263.429 3.017 20 30 CGEDLP CC[C@@H](CC#N)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001255173408 806566733 /nfs/dbraw/zinc/56/67/33/806566733.db2.gz AANMFQASNZNLRS-JYJNAYRXSA-N 2 2 263.429 3.017 20 30 CGEDLP C=CCCCCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000385167682 799423472 /nfs/dbraw/zinc/42/34/72/799423472.db2.gz NVKBVNZVEPTFRT-GJZGRUSLSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCCCCCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000385167682 799423479 /nfs/dbraw/zinc/42/34/79/799423479.db2.gz NVKBVNZVEPTFRT-GJZGRUSLSA-N 2 2 250.430 3.338 20 30 CGEDLP CC[C@@H](CC#N)[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000390714565 799473270 /nfs/dbraw/zinc/47/32/70/799473270.db2.gz BTLNTBLQTYEVEH-MSOLQXFVSA-N 2 2 285.435 3.180 20 30 CGEDLP CC[C@@H](CC#N)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390714565 799473272 /nfs/dbraw/zinc/47/32/72/799473272.db2.gz BTLNTBLQTYEVEH-MSOLQXFVSA-N 2 2 285.435 3.180 20 30 CGEDLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001255958208 806799800 /nfs/dbraw/zinc/79/98/00/806799800.db2.gz ZNJKKIDBTZKYIB-OAHLLOKOSA-N 2 2 285.435 3.037 20 30 CGEDLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001255958208 806799803 /nfs/dbraw/zinc/79/98/03/806799803.db2.gz ZNJKKIDBTZKYIB-OAHLLOKOSA-N 2 2 285.435 3.037 20 30 CGEDLP C#CC[N@H+]([C@@H]1CCc2ccccc21)C1CC[NH+](C2CC2)CC1 ZINC001256078913 806814099 /nfs/dbraw/zinc/81/40/99/806814099.db2.gz FGRAJICZUUDLPR-HXUWFJFHSA-N 2 2 294.442 3.236 20 30 CGEDLP C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1CC[NH+](C2CC2)CC1 ZINC001256078913 806814105 /nfs/dbraw/zinc/81/41/05/806814105.db2.gz FGRAJICZUUDLPR-HXUWFJFHSA-N 2 2 294.442 3.236 20 30 CGEDLP C[C@]1(C[NH3+])CCCN(c2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001164246810 806922432 /nfs/dbraw/zinc/92/24/32/806922432.db2.gz DARLBQKYZLMICS-SFHVURJKSA-N 2 2 294.402 3.062 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001246065528 804106958 /nfs/dbraw/zinc/10/69/58/804106958.db2.gz PPQWNMXXRWNXTN-ROUUACIJSA-N 2 2 296.499 3.314 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001246065528 804106962 /nfs/dbraw/zinc/10/69/62/804106962.db2.gz PPQWNMXXRWNXTN-ROUUACIJSA-N 2 2 296.499 3.314 20 30 CGEDLP C=CCc1cc(C)c[nH+]c1NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001165260507 806982477 /nfs/dbraw/zinc/98/24/77/806982477.db2.gz HJEYNRNEJRCWEN-HNNXBMFYSA-N 2 2 273.424 3.262 20 30 CGEDLP C=CCc1cc(C)c[nH+]c1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165260507 806982480 /nfs/dbraw/zinc/98/24/80/806982480.db2.gz HJEYNRNEJRCWEN-HNNXBMFYSA-N 2 2 273.424 3.262 20 30 CGEDLP CCCCCCC[C@H](CC(C)C)[NH2+]C1(C[NH3+])COC1 ZINC001258715964 807566468 /nfs/dbraw/zinc/56/64/68/807566468.db2.gz PCQLACLMPAFQNP-OAHLLOKOSA-N 2 2 270.461 3.079 20 30 CGEDLP C#CC(C)(C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC001169243840 807612831 /nfs/dbraw/zinc/61/28/31/807612831.db2.gz VJIFKIICFRIODF-UHFFFAOYSA-N 2 2 267.376 3.024 20 30 CGEDLP C#CC(C)(C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC001169243840 807612835 /nfs/dbraw/zinc/61/28/35/807612835.db2.gz VJIFKIICFRIODF-UHFFFAOYSA-N 2 2 267.376 3.024 20 30 CGEDLP CCC[C@@](C)(C#N)[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258905055 807671531 /nfs/dbraw/zinc/67/15/31/807671531.db2.gz ONPLHOGGSJYPCA-GJZGRUSLSA-N 2 2 253.434 3.169 20 30 CGEDLP C[C@H](Cc1cccc(C#N)c1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001171220651 808011523 /nfs/dbraw/zinc/01/15/23/808011523.db2.gz APTQALVFCDJYCN-PBHICJAKSA-N 2 2 294.402 3.025 20 30 CGEDLP CCC[C@](C)(C#N)[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173107010 808512255 /nfs/dbraw/zinc/51/22/55/808512255.db2.gz ULHQPOXKVXMCND-UYSNPLJNSA-N 2 2 265.445 3.311 20 30 CGEDLP C=C(CC)C[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001182356643 810107977 /nfs/dbraw/zinc/10/79/77/810107977.db2.gz MOTWIDMLIZKYCO-SJLPKXTDSA-N 2 2 272.436 3.453 20 30 CGEDLP C=C(CC)C[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001182356643 810107978 /nfs/dbraw/zinc/10/79/78/810107978.db2.gz MOTWIDMLIZKYCO-SJLPKXTDSA-N 2 2 272.436 3.453 20 30 CGEDLP C=CCCCCCC[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206337269 813294130 /nfs/dbraw/zinc/29/41/30/813294130.db2.gz RLGNPGHQSBVRSH-OAHLLOKOSA-N 2 2 256.409 3.276 20 30 CGEDLP C=CCCCCCC[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206337269 813294136 /nfs/dbraw/zinc/29/41/36/813294136.db2.gz RLGNPGHQSBVRSH-OAHLLOKOSA-N 2 2 256.409 3.276 20 30 CGEDLP C=CCCCCC[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001209423582 814026190 /nfs/dbraw/zinc/02/61/90/814026190.db2.gz XVTOQMDWUXPKEY-ROUUACIJSA-N 2 2 299.462 3.192 20 30 CGEDLP Cc1cc(C#N)ccc1C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001233083640 818521322 /nfs/dbraw/zinc/52/13/22/818521322.db2.gz UDLKDXNZCBKEBK-UHFFFAOYSA-N 2 2 285.435 3.171 20 30 CGEDLP Cc1cc(C#N)ccc1C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001233083640 818521331 /nfs/dbraw/zinc/52/13/31/818521331.db2.gz UDLKDXNZCBKEBK-UHFFFAOYSA-N 2 2 285.435 3.171 20 30 CGEDLP CCCCCCCCC[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235115199 819008985 /nfs/dbraw/zinc/00/89/85/819008985.db2.gz PDFGNEYNEOPRBK-QGZVFWFLSA-N 2 2 282.472 3.191 20 30 CGEDLP CCCCCCCCC[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001235115199 819008992 /nfs/dbraw/zinc/00/89/92/819008992.db2.gz PDFGNEYNEOPRBK-QGZVFWFLSA-N 2 2 282.472 3.191 20 30 CGEDLP CCCCCCC/C=C/C[N@@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235257426 819053672 /nfs/dbraw/zinc/05/36/72/819053672.db2.gz IFWSCHSVFHQQJL-FHQWLQQXSA-N 2 2 250.430 3.197 20 30 CGEDLP CCCCCCC/C=C/C[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235257426 819053673 /nfs/dbraw/zinc/05/36/73/819053673.db2.gz IFWSCHSVFHQQJL-FHQWLQQXSA-N 2 2 250.430 3.197 20 30 CGEDLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(C#Cc2ccccc2)cc1 ZINC001235724031 819153942 /nfs/dbraw/zinc/15/39/42/819153942.db2.gz BWJGFIDPGHURFQ-FQEVSTJZSA-N 2 2 290.410 3.010 20 30 CGEDLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(C#Cc2ccccc2)cc1 ZINC001235724031 819153947 /nfs/dbraw/zinc/15/39/47/819153947.db2.gz BWJGFIDPGHURFQ-FQEVSTJZSA-N 2 2 290.410 3.010 20 30 CGEDLP C[C@@H]([NH3+])C[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001236142915 819344362 /nfs/dbraw/zinc/34/43/62/819344362.db2.gz DRBFDQJXVYZYCH-HZPDHXFCSA-N 2 2 293.414 3.469 20 30 CGEDLP C[C@@H]([NH3+])C[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ccccc1 ZINC001236142915 819344369 /nfs/dbraw/zinc/34/43/69/819344369.db2.gz DRBFDQJXVYZYCH-HZPDHXFCSA-N 2 2 293.414 3.469 20 30 CGEDLP C=CCCC[N@@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236389644 819446189 /nfs/dbraw/zinc/44/61/89/819446189.db2.gz BMWOUHGZIPNTEZ-QGZVFWFLSA-N 2 2 276.399 3.346 20 30 CGEDLP C=CCCC[N@H+](Cc1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001236389644 819446194 /nfs/dbraw/zinc/44/61/94/819446194.db2.gz BMWOUHGZIPNTEZ-QGZVFWFLSA-N 2 2 276.399 3.346 20 30 CGEDLP CCc1cc(C#N)ccc1C[N@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236471035 819491492 /nfs/dbraw/zinc/49/14/92/819491492.db2.gz ODDFSNAQFZFMAR-GOSISDBHSA-N 2 2 285.435 3.083 20 30 CGEDLP CCc1cc(C#N)ccc1C[N@@H+](C(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236471035 819491497 /nfs/dbraw/zinc/49/14/97/819491497.db2.gz ODDFSNAQFZFMAR-GOSISDBHSA-N 2 2 285.435 3.083 20 30 CGEDLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC001327793712 935085019 /nfs/dbraw/zinc/08/50/19/935085019.db2.gz VINLNGVLGBSVIW-LRYGQEGESA-N 2 2 297.446 3.073 20 30 CGEDLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC001327793712 935085024 /nfs/dbraw/zinc/08/50/24/935085024.db2.gz VINLNGVLGBSVIW-LRYGQEGESA-N 2 2 297.446 3.073 20 30 CGEDLP C=CC[C@H]1CC[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC001560264445 938250377 /nfs/dbraw/zinc/25/03/77/938250377.db2.gz XIXXOBDVMCHUHR-HOTGVXAUSA-N 2 2 250.430 3.197 20 30 CGEDLP C=CC[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CC(F)F)CC2)C1 ZINC000623089817 349758537 /nfs/dbraw/zinc/75/85/37/349758537.db2.gz ZURYFGIJMDKAGQ-ZFWWWQNUSA-N 2 2 286.410 3.298 20 30 CGEDLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000602734248 348021031 /nfs/dbraw/zinc/02/10/31/348021031.db2.gz PMOWYUQYBCBTSN-UHFFFAOYSA-N 2 2 289.448 3.070 20 30 CGEDLP N#CCC1(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000602823317 348034219 /nfs/dbraw/zinc/03/42/19/348034219.db2.gz CPSWOOVVZRDQEE-OAHLLOKOSA-N 2 2 298.434 3.093 20 30 CGEDLP N#CCC1(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000602823317 348034220 /nfs/dbraw/zinc/03/42/20/348034220.db2.gz CPSWOOVVZRDQEE-OAHLLOKOSA-N 2 2 298.434 3.093 20 30 CGEDLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390926 348444335 /nfs/dbraw/zinc/44/43/35/348444335.db2.gz LLGYSDGQZRJFIV-FUHWJXTLSA-N 2 2 283.419 3.010 20 30 CGEDLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390926 348444337 /nfs/dbraw/zinc/44/43/37/348444337.db2.gz LLGYSDGQZRJFIV-FUHWJXTLSA-N 2 2 283.419 3.010 20 30 CGEDLP C=CCC[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000273425261 192146207 /nfs/dbraw/zinc/14/62/07/192146207.db2.gz KCYZDHCXDOBPCG-HNNXBMFYSA-N 2 2 269.392 3.376 20 30 CGEDLP CC[N@H+](CCCn1cc[nH+]c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000183166001 189348376 /nfs/dbraw/zinc/34/83/76/189348376.db2.gz BXBDAVCTFGASJD-HNNXBMFYSA-N 2 2 282.391 3.228 20 30 CGEDLP CC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000183166001 189348377 /nfs/dbraw/zinc/34/83/77/189348377.db2.gz BXBDAVCTFGASJD-HNNXBMFYSA-N 2 2 282.391 3.228 20 30 CGEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cc2Cl)CC[N@@H+]1C ZINC000335677966 212398816 /nfs/dbraw/zinc/39/88/16/212398816.db2.gz WYHGDTJNFQOGTP-SWLSCSKDSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(C#N)cc2Cl)CC[N@H+]1C ZINC000335677966 212398817 /nfs/dbraw/zinc/39/88/17/212398817.db2.gz WYHGDTJNFQOGTP-SWLSCSKDSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2Cl)CC[NH+]1C ZINC000335677966 212398819 /nfs/dbraw/zinc/39/88/19/212398819.db2.gz WYHGDTJNFQOGTP-SWLSCSKDSA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2Cl)CC[NH+]1C ZINC000335677966 212398820 /nfs/dbraw/zinc/39/88/20/212398820.db2.gz WYHGDTJNFQOGTP-SWLSCSKDSA-N 2 2 291.826 3.126 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289068346 371750557 /nfs/dbraw/zinc/75/05/57/371750557.db2.gz AYJPASYWPSDETR-KBAYOESNSA-N 2 2 285.435 3.179 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289068346 371750563 /nfs/dbraw/zinc/75/05/63/371750563.db2.gz AYJPASYWPSDETR-KBAYOESNSA-N 2 2 285.435 3.179 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000447590237 373459425 /nfs/dbraw/zinc/45/94/25/373459425.db2.gz AZLIPGLEWFSLJA-SJORKVTESA-N 2 2 262.441 3.338 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CC1 ZINC000447590237 373459432 /nfs/dbraw/zinc/45/94/32/373459432.db2.gz AZLIPGLEWFSLJA-SJORKVTESA-N 2 2 262.441 3.338 20 30 CGEDLP CC/C=C\C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449464692 373748399 /nfs/dbraw/zinc/74/83/99/373748399.db2.gz YSSKZFJRLKDPBR-ARJAWSKDSA-N 2 2 283.419 3.078 20 30 CGEDLP C=C(C)CC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449475216 373761920 /nfs/dbraw/zinc/76/19/20/373761920.db2.gz KZMABUHOZSVRDC-NVXWUHKLSA-N 2 2 258.409 3.378 20 30 CGEDLP C=C(C)CC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449475216 373761929 /nfs/dbraw/zinc/76/19/29/373761929.db2.gz KZMABUHOZSVRDC-NVXWUHKLSA-N 2 2 258.409 3.378 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC(C)C)C2(C)C)CC1 ZINC000181716532 374160316 /nfs/dbraw/zinc/16/03/16/374160316.db2.gz FQLBYFNNEBNOLX-SJORKVTESA-N 2 2 294.483 3.066 20 30 CGEDLP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185684899 374713444 /nfs/dbraw/zinc/71/34/44/374713444.db2.gz HPPVEMDHYQURAB-BEFAXECRSA-N 2 2 293.414 3.339 20 30 CGEDLP C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000185686584 374715232 /nfs/dbraw/zinc/71/52/32/374715232.db2.gz IZVNNOXTGUDXMD-HNAYVOBHSA-N 2 2 293.414 3.339 20 30 CGEDLP C=CCCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000336809157 375962102 /nfs/dbraw/zinc/96/21/02/375962102.db2.gz DSIKEPMGQNWKCB-UHFFFAOYSA-N 2 2 255.365 3.318 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2csc(C)n2)CC1 ZINC000269446575 378223213 /nfs/dbraw/zinc/22/32/13/378223213.db2.gz UVNFWILZCDCBDJ-LBPRGKRZSA-N 2 2 279.453 3.143 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347088706 218117939 /nfs/dbraw/zinc/11/79/39/218117939.db2.gz ODYWADLISQAGBM-KSSFIOAISA-N 2 2 293.370 3.168 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347088706 218117940 /nfs/dbraw/zinc/11/79/40/218117940.db2.gz ODYWADLISQAGBM-KSSFIOAISA-N 2 2 293.370 3.168 20 30 CGEDLP C=C(CC)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000352349240 379774298 /nfs/dbraw/zinc/77/42/98/379774298.db2.gz JZIGABRVWFTNDK-UHFFFAOYSA-N 2 2 260.381 3.199 20 30 CGEDLP C=C(C)C[NH2+][C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000398200987 379929466 /nfs/dbraw/zinc/92/94/66/379929466.db2.gz PNVGYXRTHYXHQB-KRWDZBQOSA-N 2 2 260.425 3.309 20 30 CGEDLP C=C(C)C[NH2+][C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000398200987 379929469 /nfs/dbraw/zinc/92/94/69/379929469.db2.gz PNVGYXRTHYXHQB-KRWDZBQOSA-N 2 2 260.425 3.309 20 30 CGEDLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(C#N)cc1F ZINC000423390927 533424363 /nfs/dbraw/zinc/42/43/63/533424363.db2.gz OVJOBSANLAQIIK-WBMJQRKESA-N 2 2 289.398 3.126 20 30 CGEDLP CC(C)(CCC#N)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000174302256 392639608 /nfs/dbraw/zinc/63/96/08/392639608.db2.gz POTICEIJGINZJN-UHFFFAOYSA-N 2 2 282.391 3.292 20 30 CGEDLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000278361121 393319144 /nfs/dbraw/zinc/31/91/44/393319144.db2.gz BKYBONXDRGZXKD-BVGQSLNGSA-N 2 2 283.419 3.082 20 30 CGEDLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000278361121 393319148 /nfs/dbraw/zinc/31/91/48/393319148.db2.gz BKYBONXDRGZXKD-BVGQSLNGSA-N 2 2 283.419 3.082 20 30 CGEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CC=C)CC1 ZINC000657874901 419399057 /nfs/dbraw/zinc/39/90/57/419399057.db2.gz CHTOYXCWZPWPFL-RDJZCZTQSA-N 2 2 262.441 3.361 20 30 CGEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC000658092265 419566637 /nfs/dbraw/zinc/56/66/37/419566637.db2.gz PCGNXRUJCYBUHU-GJZGRUSLSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCC[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000658092265 419566642 /nfs/dbraw/zinc/56/66/42/419566642.db2.gz PCGNXRUJCYBUHU-GJZGRUSLSA-N 2 2 250.430 3.194 20 30 CGEDLP C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000193298344 262219981 /nfs/dbraw/zinc/21/99/81/262219981.db2.gz CUWBAMYUPDQWQF-CWLKWCNXSA-N 2 2 285.435 3.350 20 30 CGEDLP C=CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000111258607 262259057 /nfs/dbraw/zinc/25/90/57/262259057.db2.gz XCWNBKYVYCGZBJ-UHFFFAOYSA-N 2 2 267.376 3.270 20 30 CGEDLP CC(C)(C#N)CCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000336845420 262399203 /nfs/dbraw/zinc/39/92/03/262399203.db2.gz QCELDONYZMEDLK-INIZCTEOSA-N 2 2 287.407 3.255 20 30 CGEDLP CC(C)(C#N)CCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000336845420 262399204 /nfs/dbraw/zinc/39/92/04/262399204.db2.gz QCELDONYZMEDLK-INIZCTEOSA-N 2 2 287.407 3.255 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccccc2O)CC1 ZINC000185210785 265003218 /nfs/dbraw/zinc/00/32/18/265003218.db2.gz AOYCHXPBZJNFKR-MRXNPFEDSA-N 2 2 274.408 3.083 20 30 CGEDLP C=CCOCC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000294321193 265011311 /nfs/dbraw/zinc/01/13/11/265011311.db2.gz XWGVMGZPSMNDQH-UHFFFAOYSA-N 2 2 299.418 3.184 20 30 CGEDLP Cc1cc[nH+]cc1CCC[NH2+]CC1CCC(C#N)CC1 ZINC000289543837 328255092 /nfs/dbraw/zinc/25/50/92/328255092.db2.gz FVOKFEZMQAMOHF-UHFFFAOYSA-N 2 2 271.408 3.242 20 30 CGEDLP N#Cc1cccc(C2([NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)CC2)c1 ZINC000572868806 322359287 /nfs/dbraw/zinc/35/92/87/322359287.db2.gz HTMWMFJNGHUXKR-ROUUACIJSA-N 2 2 289.382 3.282 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC(C)C)c2ccccn2)CC1 ZINC000177905311 329190178 /nfs/dbraw/zinc/19/01/78/329190178.db2.gz DPSIYVDKANGBAQ-GOSISDBHSA-N 2 2 287.451 3.409 20 30 CGEDLP C#CCCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000178058090 329191903 /nfs/dbraw/zinc/19/19/03/329191903.db2.gz XGPFAAMJYZVDLA-UHFFFAOYSA-N 2 2 290.838 3.307 20 30 CGEDLP C=C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000264472026 330061215 /nfs/dbraw/zinc/06/12/15/330061215.db2.gz NUSXPRJNNZHAIE-UHFFFAOYSA-N 2 2 253.349 3.024 20 30 CGEDLP C=CCCC[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423084230 330168860 /nfs/dbraw/zinc/16/88/60/330168860.db2.gz HCSNIKQMJQSQIH-SJORKVTESA-N 2 2 274.408 3.044 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000423439971 330201597 /nfs/dbraw/zinc/20/15/97/330201597.db2.gz VQRFSTCMHCTJGC-MSOLQXFVSA-N 2 2 270.420 3.208 20 30 CGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459735467 331296863 /nfs/dbraw/zinc/29/68/63/331296863.db2.gz SYLMASJVZZJCIK-RDJZCZTQSA-N 2 2 285.435 3.036 20 30 CGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459735467 331296864 /nfs/dbraw/zinc/29/68/64/331296864.db2.gz SYLMASJVZZJCIK-RDJZCZTQSA-N 2 2 285.435 3.036 20 30 CGEDLP C=CCC[NH+](C)[C@@H]1CCCC[C@@H]1[N@H+](C)CCC=C ZINC000545922474 334006515 /nfs/dbraw/zinc/00/65/15/334006515.db2.gz QMSMATFWFGDSIO-IYBDPMFKSA-N 2 2 250.430 3.313 20 30 CGEDLP C=CCC[NH+](C)[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC=C ZINC000545922474 334006516 /nfs/dbraw/zinc/00/65/16/334006516.db2.gz QMSMATFWFGDSIO-IYBDPMFKSA-N 2 2 250.430 3.313 20 30 CGEDLP C=CCC[NH+](C)[C@H]1CCCC[C@H]1[N@H+](C)CCC=C ZINC000545922474 334006517 /nfs/dbraw/zinc/00/65/17/334006517.db2.gz QMSMATFWFGDSIO-IYBDPMFKSA-N 2 2 250.430 3.313 20 30 CGEDLP C=CCC[NH+](C)[C@H]1CCCC[C@H]1[N@@H+](C)CCC=C ZINC000545922474 334006518 /nfs/dbraw/zinc/00/65/18/334006518.db2.gz QMSMATFWFGDSIO-IYBDPMFKSA-N 2 2 250.430 3.313 20 30 CGEDLP C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000248757328 334316215 /nfs/dbraw/zinc/31/62/15/334316215.db2.gz CUWBAMYUPDQWQF-IDCNUPLLSA-N 2 2 285.435 3.350 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000553102928 334361700 /nfs/dbraw/zinc/36/17/00/334361700.db2.gz NWINEMDYRSEQNS-DZKIICNBSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000553102928 334361701 /nfs/dbraw/zinc/36/17/01/334361701.db2.gz NWINEMDYRSEQNS-DZKIICNBSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCCCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000564585556 334512917 /nfs/dbraw/zinc/51/29/17/334512917.db2.gz PHNYHZUUVXDXJB-UHFFFAOYSA-N 2 2 273.424 3.386 20 30 CGEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccco1 ZINC000353533974 527486845 /nfs/dbraw/zinc/48/68/45/527486845.db2.gz YKVNZIPDBIWYRH-ZNMIVQPWSA-N 2 2 262.397 3.359 20 30 CGEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccco1 ZINC000353533974 527486847 /nfs/dbraw/zinc/48/68/47/527486847.db2.gz YKVNZIPDBIWYRH-ZNMIVQPWSA-N 2 2 262.397 3.359 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000924770149 620746884 /nfs/dbraw/zinc/74/68/84/620746884.db2.gz OSGWDWKKCPEROW-AWEZNQCLSA-N 2 2 282.391 3.290 20 30 CGEDLP N#C[C@@H]1CCC[C@H](N(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC000895110688 619733824 /nfs/dbraw/zinc/73/38/24/619733824.db2.gz UGLXKGXFKRCEJX-VQHPVUNQSA-N 2 2 298.434 3.240 20 30 CGEDLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000895376242 619815948 /nfs/dbraw/zinc/81/59/48/619815948.db2.gz GRQWWOQEAIYUKC-CZUORRHYSA-N 2 2 291.464 3.172 20 30 CGEDLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000895376242 619815950 /nfs/dbraw/zinc/81/59/50/619815950.db2.gz GRQWWOQEAIYUKC-CZUORRHYSA-N 2 2 291.464 3.172 20 30 CGEDLP Cc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1C#N ZINC000767682037 627427937 /nfs/dbraw/zinc/42/79/37/627427937.db2.gz OTQGGWHVUMSDIA-KRWDZBQOSA-N 2 2 296.418 3.268 20 30 CGEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)C1 ZINC000866561841 633191898 /nfs/dbraw/zinc/19/18/98/633191898.db2.gz MLQGUMXRMULKGA-HLLBOEOZSA-N 2 2 275.440 3.065 20 30 CGEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000866561841 633191903 /nfs/dbraw/zinc/19/19/03/633191903.db2.gz MLQGUMXRMULKGA-HLLBOEOZSA-N 2 2 275.440 3.065 20 30 CGEDLP C#CC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000830345429 633852940 /nfs/dbraw/zinc/85/29/40/633852940.db2.gz CHDYXMQSWIRCLS-UHFFFAOYSA-N 2 2 279.387 3.026 20 30 CGEDLP N#CC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000876990399 634945565 /nfs/dbraw/zinc/94/55/65/634945565.db2.gz AOMMEPQXGTUGRC-UHFFFAOYSA-N 2 2 280.375 3.044 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841756871 635230390 /nfs/dbraw/zinc/23/03/90/635230390.db2.gz AVTBVOZXEZBRGY-GFCCVEGCSA-N 2 2 294.826 3.347 20 30 CGEDLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000929969273 638965227 /nfs/dbraw/zinc/96/52/27/638965227.db2.gz KFSDLQYRUAFYMV-MRXNPFEDSA-N 2 2 277.456 3.313 20 30 CGEDLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929969273 638965230 /nfs/dbraw/zinc/96/52/30/638965230.db2.gz KFSDLQYRUAFYMV-MRXNPFEDSA-N 2 2 277.456 3.313 20 30 CGEDLP C[N@H+]([C@H]1CC[C@H](C#N)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001254661106 806478570 /nfs/dbraw/zinc/47/85/70/806478570.db2.gz PAGXMPCWDSKJCK-HKUYNNGSSA-N 2 2 297.446 3.275 20 30 CGEDLP C[N@@H+]([C@H]1CC[C@H](C#N)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001254661106 806478573 /nfs/dbraw/zinc/47/85/73/806478573.db2.gz PAGXMPCWDSKJCK-HKUYNNGSSA-N 2 2 297.446 3.275 20 30 CGEDLP Cc1ccc(C#N)c(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001245605161 803849243 /nfs/dbraw/zinc/84/92/43/803849243.db2.gz FBDREULWVSMSST-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(C#N)c(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001245605161 803849253 /nfs/dbraw/zinc/84/92/53/803849253.db2.gz FBDREULWVSMSST-SFHVURJKSA-N 2 2 291.398 3.067 20 30 CGEDLP CCCCCCCC[C@H](CC)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC001246092261 804124219 /nfs/dbraw/zinc/12/42/19/804124219.db2.gz HJDXRMQDADMPFV-JKSUJKDBSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCC[C@H](C)[NH2+][C@@]1(CC(=O)OCC)CC[NH2+]C1 ZINC001246133760 804159047 /nfs/dbraw/zinc/15/90/47/804159047.db2.gz VPWKMXRUWUDLKX-DOTOQJQBSA-N 2 2 298.471 3.010 20 30 CGEDLP CCCCCCC[C@@H](C)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246141016 804163278 /nfs/dbraw/zinc/16/32/78/804163278.db2.gz HTLIDSAUYMUZJR-IAGOWNOFSA-N 3 2 295.515 3.199 20 30 CGEDLP CCCCCCCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001246296489 804265169 /nfs/dbraw/zinc/26/51/69/804265169.db2.gz RTIMMKVMXHRVGQ-ULQDDVLXSA-N 2 2 284.488 3.482 20 30 CGEDLP CCCCCCCCC[C@H](C)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246562185 804412140 /nfs/dbraw/zinc/41/21/40/804412140.db2.gz YYHVRJCHUSWLFA-DLBZAZTESA-N 2 2 284.488 3.436 20 30 CGEDLP CCCCCCCCC[C@H](C)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246562185 804412143 /nfs/dbraw/zinc/41/21/43/804412143.db2.gz YYHVRJCHUSWLFA-DLBZAZTESA-N 2 2 284.488 3.436 20 30 CGEDLP CCCCCCCCCC[C@H](C)[NH2+]C1(C[NH3+])COC1 ZINC001257547443 807195568 /nfs/dbraw/zinc/19/55/68/807195568.db2.gz NPWOYQIQUGRNMJ-HNNXBMFYSA-N 2 2 270.461 3.223 20 30 CGEDLP C=CCC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001258716883 807566843 /nfs/dbraw/zinc/56/68/43/807566843.db2.gz DXOZBSZJOMMITP-CQSZACIVSA-N 2 2 255.365 3.317 20 30 CGEDLP CC1(C)C[C@H]([NH+]2CC(CC#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976883 808164066 /nfs/dbraw/zinc/16/40/66/808164066.db2.gz OFVQOMUTQONIKC-GOSISDBHSA-N 2 2 297.446 3.275 20 30 CGEDLP CC1(C)C[C@H]([NH+]2CC(CC#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976883 808164070 /nfs/dbraw/zinc/16/40/70/808164070.db2.gz OFVQOMUTQONIKC-GOSISDBHSA-N 2 2 297.446 3.275 20 30 CGEDLP CCCCCCCC[N@H+](CC[NH3+])[C@@H]1COC(C)(C)C1 ZINC001172278305 808212619 /nfs/dbraw/zinc/21/26/19/808212619.db2.gz RMTPYPWELYTRIZ-HNNXBMFYSA-N 2 2 270.461 3.175 20 30 CGEDLP CCCCCCCC[N@@H+](CC[NH3+])[C@@H]1COC(C)(C)C1 ZINC001172278305 808212621 /nfs/dbraw/zinc/21/26/21/808212621.db2.gz RMTPYPWELYTRIZ-HNNXBMFYSA-N 2 2 270.461 3.175 20 30 CGEDLP C=CCCCCCCC[NH+]1CC2(C1)CC[N@@H+](C)C2 ZINC001276043125 808986563 /nfs/dbraw/zinc/98/65/63/808986563.db2.gz UODXUSHIBZIVFU-UHFFFAOYSA-N 2 2 250.430 3.151 20 30 CGEDLP C=CCCCCCCC[NH+]1CC2(C1)CC[N@H+](C)C2 ZINC001276043125 808986568 /nfs/dbraw/zinc/98/65/68/808986568.db2.gz UODXUSHIBZIVFU-UHFFFAOYSA-N 2 2 250.430 3.151 20 30 CGEDLP CC(C)[N@H+](Cc1ccc(F)c(C#N)c1)C1CC[NH+](C)CC1 ZINC001205502365 812992759 /nfs/dbraw/zinc/99/27/59/812992759.db2.gz SGWXNLZJJCGJQB-UHFFFAOYSA-N 2 2 289.398 3.002 20 30 CGEDLP CC(C)[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC[NH+](C)CC1 ZINC001205502365 812992768 /nfs/dbraw/zinc/99/27/68/812992768.db2.gz SGWXNLZJJCGJQB-UHFFFAOYSA-N 2 2 289.398 3.002 20 30 CGEDLP CN(C)/C=[NH+]/c1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1C#N ZINC001242675626 823095644 /nfs/dbraw/zinc/09/56/44/823095644.db2.gz HACVLJHDMYKOQY-CIAFOILYSA-N 2 2 290.370 3.050 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001461045476 937561688 /nfs/dbraw/zinc/56/16/88/937561688.db2.gz PXKSPROCIGCKKJ-ARFHVFGLSA-N 2 2 250.430 3.053 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001461045476 937561690 /nfs/dbraw/zinc/56/16/90/937561690.db2.gz PXKSPROCIGCKKJ-ARFHVFGLSA-N 2 2 250.430 3.053 20 30 CGEDLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000423504694 529616745 /nfs/dbraw/zinc/61/67/45/529616745.db2.gz NSVRLRJMMMMAII-AUUYWEPGSA-N 2 2 293.414 3.471 20 30 CGEDLP CC(C)(C#N)CCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536368425 346649665 /nfs/dbraw/zinc/64/96/65/346649665.db2.gz IROZQGZAQCIVFI-UHFFFAOYSA-N 2 2 286.423 3.288 20 30 CGEDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)[C@@H]2C1 ZINC000585781574 346730418 /nfs/dbraw/zinc/73/04/18/346730418.db2.gz SVRQDSNQSPHTMJ-SJLPKXTDSA-N 2 2 297.446 3.014 20 30 CGEDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3ccc(C(C)(C)C#N)cc3)[C@@H]2C1 ZINC000585781574 346730420 /nfs/dbraw/zinc/73/04/20/346730420.db2.gz SVRQDSNQSPHTMJ-SJLPKXTDSA-N 2 2 297.446 3.014 20 30 CGEDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@@H]2C1 ZINC000585781574 346730422 /nfs/dbraw/zinc/73/04/22/346730422.db2.gz SVRQDSNQSPHTMJ-SJLPKXTDSA-N 2 2 297.446 3.014 20 30 CGEDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@@H]2C1 ZINC000585781574 346730425 /nfs/dbraw/zinc/73/04/25/346730425.db2.gz SVRQDSNQSPHTMJ-SJLPKXTDSA-N 2 2 297.446 3.014 20 30 CGEDLP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593692306 347103795 /nfs/dbraw/zinc/10/37/95/347103795.db2.gz APKSBQPXRBFORO-BEFAXECRSA-N 2 2 297.446 3.301 20 30 CGEDLP CC1(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CCC1 ZINC000593693337 347104959 /nfs/dbraw/zinc/10/49/59/347104959.db2.gz VDIOMBYKRVAJGA-UHFFFAOYSA-N 2 2 297.446 3.302 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]1C ZINC000593696008 347105035 /nfs/dbraw/zinc/10/50/35/347105035.db2.gz YFPOZKMQAWEBSA-CLCXKQKWSA-N 2 2 297.446 3.157 20 30 CGEDLP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C#N ZINC000599331081 347736216 /nfs/dbraw/zinc/73/62/16/347736216.db2.gz GHOPNCMFRGTQBH-MAUKXSAKSA-N 2 2 294.402 3.146 20 30 CGEDLP N#CC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602644642 347999945 /nfs/dbraw/zinc/99/99/45/347999945.db2.gz ZSOWPNNLRSLJRV-AEFFLSMTSA-N 2 2 295.430 3.248 20 30 CGEDLP N#CC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602644642 347999947 /nfs/dbraw/zinc/99/99/47/347999947.db2.gz ZSOWPNNLRSLJRV-AEFFLSMTSA-N 2 2 295.430 3.248 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+][C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000602714259 348015931 /nfs/dbraw/zinc/01/59/31/348015931.db2.gz YAGZVHCHMYTWES-FUHWJXTLSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+][C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000602714259 348015932 /nfs/dbraw/zinc/01/59/32/348015932.db2.gz YAGZVHCHMYTWES-FUHWJXTLSA-N 2 2 285.435 3.180 20 30 CGEDLP CC(C)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000610859471 348406579 /nfs/dbraw/zinc/40/65/79/348406579.db2.gz UZZLNULNBNPBDW-KRWDZBQOSA-N 2 2 299.462 3.450 20 30 CGEDLP CC(C)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000610859471 348406581 /nfs/dbraw/zinc/40/65/81/348406581.db2.gz UZZLNULNBNPBDW-KRWDZBQOSA-N 2 2 299.462 3.450 20 30 CGEDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390141 348444777 /nfs/dbraw/zinc/44/47/77/348444777.db2.gz FNDBFAUDWZJMSD-WMZOPIPTSA-N 2 2 283.419 3.010 20 30 CGEDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390141 348444779 /nfs/dbraw/zinc/44/47/79/348444779.db2.gz FNDBFAUDWZJMSD-WMZOPIPTSA-N 2 2 283.419 3.010 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C)cc2F)CC1 ZINC000631065361 350941073 /nfs/dbraw/zinc/94/10/73/350941073.db2.gz UBPFUMTXFDBKAL-UHFFFAOYSA-N 2 2 276.399 3.264 20 30 CGEDLP C=C[C@@H]1CCCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000426559770 372164391 /nfs/dbraw/zinc/16/43/91/372164391.db2.gz NGEZUUVGXMEEGX-CYBMUJFWSA-N 2 2 273.405 3.474 20 30 CGEDLP C=C[C@@H]1CCCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000426559770 372164402 /nfs/dbraw/zinc/16/44/02/372164402.db2.gz NGEZUUVGXMEEGX-CYBMUJFWSA-N 2 2 273.405 3.474 20 30 CGEDLP N#Cc1ccccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172576753 372989538 /nfs/dbraw/zinc/98/95/38/372989538.db2.gz CKDUXDUEIWOMCV-GOSISDBHSA-N 2 2 283.419 3.009 20 30 CGEDLP N#Cc1ccccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172576753 372989541 /nfs/dbraw/zinc/98/95/41/372989541.db2.gz CKDUXDUEIWOMCV-GOSISDBHSA-N 2 2 283.419 3.009 20 30 CGEDLP C[C@]1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCC[N@@H+]1Cc1ccccc1 ZINC000442849469 373103751 /nfs/dbraw/zinc/10/37/51/373103751.db2.gz HJASTLJCFRTTHQ-CEXWTWQISA-N 2 2 297.446 3.323 20 30 CGEDLP C[C@]1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCC[N@H+]1Cc1ccccc1 ZINC000442849469 373103757 /nfs/dbraw/zinc/10/37/57/373103757.db2.gz HJASTLJCFRTTHQ-CEXWTWQISA-N 2 2 297.446 3.323 20 30 CGEDLP N#C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000442892837 373122679 /nfs/dbraw/zinc/12/26/79/373122679.db2.gz WKJIRGVZVLURBW-IAGOWNOFSA-N 2 2 289.467 3.315 20 30 CGEDLP CC(C)C[C@H](C[NH2+]C1CCC(C)(C#N)CC1)[NH+](C)C ZINC000449076136 373659330 /nfs/dbraw/zinc/65/93/30/373659330.db2.gz SOFOOANCOLAANQ-HWOWSKLDSA-N 2 2 265.445 3.025 20 30 CGEDLP C=C(C)CC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449475218 373761550 /nfs/dbraw/zinc/76/15/50/373761550.db2.gz KZMABUHOZSVRDC-WBVHZDCISA-N 2 2 258.409 3.378 20 30 CGEDLP C=C(C)CC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449475218 373761554 /nfs/dbraw/zinc/76/15/54/373761554.db2.gz KZMABUHOZSVRDC-WBVHZDCISA-N 2 2 258.409 3.378 20 30 CGEDLP CC(C)[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181786840 374171399 /nfs/dbraw/zinc/17/13/99/374171399.db2.gz KTVNWVVWIFIXBN-INIZCTEOSA-N 2 2 299.462 3.404 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C)(C#N)CC1 ZINC000334535186 374831244 /nfs/dbraw/zinc/83/12/44/374831244.db2.gz PADQUHYEBTYELA-UHFFFAOYSA-N 2 2 294.402 3.306 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2OCC)CC1 ZINC000482638360 375171164 /nfs/dbraw/zinc/17/11/64/375171164.db2.gz ZTJVPMVPTACSMS-OAHLLOKOSA-N 2 2 288.435 3.386 20 30 CGEDLP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000192727029 375783721 /nfs/dbraw/zinc/78/37/21/375783721.db2.gz XAZITHSZGWVUBO-HOCLYGCPSA-N 2 2 280.375 3.044 20 30 CGEDLP C=CCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000556257531 376861703 /nfs/dbraw/zinc/86/17/03/376861703.db2.gz GSSULNZXRFIQQF-IAGOWNOFSA-N 2 2 258.409 3.378 20 30 CGEDLP C=CCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000556257531 376861711 /nfs/dbraw/zinc/86/17/11/376861711.db2.gz GSSULNZXRFIQQF-IAGOWNOFSA-N 2 2 258.409 3.378 20 30 CGEDLP C=CCC[C@@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000245915724 376934559 /nfs/dbraw/zinc/93/45/59/376934559.db2.gz FLZXHDDOSXQBIQ-GOEBONIOSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCC[C@@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000245915724 376934562 /nfs/dbraw/zinc/93/45/62/376934562.db2.gz FLZXHDDOSXQBIQ-GOEBONIOSA-N 2 2 250.430 3.195 20 30 CGEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248852137 377412289 /nfs/dbraw/zinc/41/22/89/377412289.db2.gz OWUVKBRPSUCPIZ-NXHRZFHOSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248852137 377412301 /nfs/dbraw/zinc/41/23/01/377412301.db2.gz OWUVKBRPSUCPIZ-NXHRZFHOSA-N 2 2 285.435 3.179 20 30 CGEDLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271960252 378530189 /nfs/dbraw/zinc/53/01/89/378530189.db2.gz QWJKRFIXJWYJBU-ZDUSSCGKSA-N 2 2 283.350 3.294 20 30 CGEDLP CC[NH+](CC)CCC[N@H+](CC)Cc1cc(C#N)cs1 ZINC000349374656 379256478 /nfs/dbraw/zinc/25/64/78/379256478.db2.gz YXWKTMCOXWFTBY-UHFFFAOYSA-N 2 2 279.453 3.174 20 30 CGEDLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc(C#N)cs1 ZINC000349374656 379256483 /nfs/dbraw/zinc/25/64/83/379256483.db2.gz YXWKTMCOXWFTBY-UHFFFAOYSA-N 2 2 279.453 3.174 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000278377245 379365836 /nfs/dbraw/zinc/36/58/36/379365836.db2.gz CTSPWTXMLNVENP-ZDUSSCGKSA-N 2 2 262.397 3.197 20 30 CGEDLP C=CCC[C@@H](CC)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000360237154 381492914 /nfs/dbraw/zinc/49/29/14/381492914.db2.gz GDZSYWWAGOULRZ-OAHLLOKOSA-N 2 2 282.472 3.210 20 30 CGEDLP C=CCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361844612 381872332 /nfs/dbraw/zinc/87/23/32/381872332.db2.gz WUFPZEFUOBKOHQ-UHFFFAOYSA-N 2 2 255.365 3.189 20 30 CGEDLP C=CCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361844612 381872340 /nfs/dbraw/zinc/87/23/40/381872340.db2.gz WUFPZEFUOBKOHQ-UHFFFAOYSA-N 2 2 255.365 3.189 20 30 CGEDLP C=CC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000237737775 131055157 /nfs/dbraw/zinc/05/51/57/131055157.db2.gz NQDYAPJMNXWICI-UHFFFAOYSA-N 2 2 264.800 3.080 20 30 CGEDLP C#CCCCC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000150739074 392481982 /nfs/dbraw/zinc/48/19/82/392481982.db2.gz SYPHUBKNZSAGOX-WMZOPIPTSA-N 2 2 270.420 3.215 20 30 CGEDLP C#CCCCC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000150739074 392481984 /nfs/dbraw/zinc/48/19/84/392481984.db2.gz SYPHUBKNZSAGOX-WMZOPIPTSA-N 2 2 270.420 3.215 20 30 CGEDLP C=CCOc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1Cl ZINC000647531468 392753781 /nfs/dbraw/zinc/75/37/81/392753781.db2.gz YUTDGFNDHLYYAF-UHFFFAOYSA-N 2 2 294.826 3.218 20 30 CGEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000678235697 543498567 /nfs/dbraw/zinc/49/85/67/543498567.db2.gz YHCMLQPAIQHLIV-QGZVFWFLSA-N 2 2 297.402 3.285 20 30 CGEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000678235697 543498571 /nfs/dbraw/zinc/49/85/71/543498571.db2.gz YHCMLQPAIQHLIV-QGZVFWFLSA-N 2 2 297.402 3.285 20 30 CGEDLP N#Cc1csc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093564118 287117462 /nfs/dbraw/zinc/11/74/62/287117462.db2.gz AXKXLHMKHLEIIQ-HNNXBMFYSA-N 2 2 289.448 3.070 20 30 CGEDLP N#Cc1csc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000093564118 287117464 /nfs/dbraw/zinc/11/74/64/287117464.db2.gz AXKXLHMKHLEIIQ-HNNXBMFYSA-N 2 2 289.448 3.070 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2csc(C)c2)CC1 ZINC000297936316 260138261 /nfs/dbraw/zinc/13/82/61/260138261.db2.gz XWINFLRECLUGCM-CYBMUJFWSA-N 2 2 264.438 3.358 20 30 CGEDLP N#CCCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361086167 261158580 /nfs/dbraw/zinc/15/85/80/261158580.db2.gz HWTDSZJMTKBBIX-UHFFFAOYSA-N 2 2 274.412 3.069 20 30 CGEDLP CC(C)CC[N@@H+](CCC#N)CCC[NH+]1CCCCC1 ZINC000161393371 262315042 /nfs/dbraw/zinc/31/50/42/262315042.db2.gz NFCOEKDFQZGOLD-UHFFFAOYSA-N 2 2 265.445 3.124 20 30 CGEDLP CC(C)CC[N@H+](CCC#N)CCC[NH+]1CCCCC1 ZINC000161393371 262315044 /nfs/dbraw/zinc/31/50/44/262315044.db2.gz NFCOEKDFQZGOLD-UHFFFAOYSA-N 2 2 265.445 3.124 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+]CCCCC#N)C[N@H+](Cc2ccccc2)C1 ZINC000274325152 263023202 /nfs/dbraw/zinc/02/32/02/263023202.db2.gz DOPRIMFVBLVJAE-FUHWJXTLSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+]CCCCC#N)C[N@@H+](Cc2ccccc2)C1 ZINC000274325152 263023203 /nfs/dbraw/zinc/02/32/03/263023203.db2.gz DOPRIMFVBLVJAE-FUHWJXTLSA-N 2 2 285.435 3.180 20 30 CGEDLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)n1-c1ccccc1 ZINC000294953718 263169739 /nfs/dbraw/zinc/16/97/39/263169739.db2.gz DIAUFKHXKAZIAP-HOTGVXAUSA-N 2 2 294.402 3.353 20 30 CGEDLP C=CCC(C)(C)C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000580206779 327732742 /nfs/dbraw/zinc/73/27/42/327732742.db2.gz QYSCEEFIOXTFJO-UHFFFAOYSA-N 2 2 257.381 3.335 20 30 CGEDLP C=CCCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282231054 328241735 /nfs/dbraw/zinc/24/17/35/328241735.db2.gz ZJITYZKROPORKE-OAHLLOKOSA-N 2 2 273.424 3.365 20 30 CGEDLP C=CCCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282231054 328241736 /nfs/dbraw/zinc/24/17/36/328241736.db2.gz ZJITYZKROPORKE-OAHLLOKOSA-N 2 2 273.424 3.365 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC000177905616 329190138 /nfs/dbraw/zinc/19/01/38/329190138.db2.gz LWNJAFBBYMMAJI-LBPRGKRZSA-N 2 2 280.362 3.266 20 30 CGEDLP C=C(C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC000187773666 329360784 /nfs/dbraw/zinc/36/07/84/329360784.db2.gz VCMPOFGOEBNUFZ-OAHLLOKOSA-N 2 2 277.318 3.068 20 30 CGEDLP C=CC[C@H](C)[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422983753 330162848 /nfs/dbraw/zinc/16/28/48/330162848.db2.gz UVPSPRSSYWBJIE-JQFCIGGWSA-N 2 2 274.408 3.043 20 30 CGEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000121051862 330395380 /nfs/dbraw/zinc/39/53/80/330395380.db2.gz QSZMVMMKWNIUDO-WBVHZDCISA-N 2 2 262.441 3.338 20 30 CGEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000121051862 330395381 /nfs/dbraw/zinc/39/53/81/330395381.db2.gz QSZMVMMKWNIUDO-WBVHZDCISA-N 2 2 262.441 3.338 20 30 CGEDLP C#C[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(Cl)cc1 ZINC000491553470 332236065 /nfs/dbraw/zinc/23/60/65/332236065.db2.gz ADHFQZQMGRBNJN-INIZCTEOSA-N 2 2 276.811 3.088 20 30 CGEDLP CC[NH+]1CCC([N@H+](C)CC#Cc2ccccc2Cl)CC1 ZINC000135122063 334116547 /nfs/dbraw/zinc/11/65/47/334116547.db2.gz YYFYNIUFVLPDFQ-UHFFFAOYSA-N 2 2 290.838 3.108 20 30 CGEDLP CC[NH+]1CCC([N@@H+](C)CC#Cc2ccccc2Cl)CC1 ZINC000135122063 334116548 /nfs/dbraw/zinc/11/65/48/334116548.db2.gz YYFYNIUFVLPDFQ-UHFFFAOYSA-N 2 2 290.838 3.108 20 30 CGEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000386932221 336182435 /nfs/dbraw/zinc/18/24/35/336182435.db2.gz UBMNKVVIZXZPGC-WBVHZDCISA-N 2 2 258.409 3.205 20 30 CGEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000386932221 336182437 /nfs/dbraw/zinc/18/24/37/336182437.db2.gz UBMNKVVIZXZPGC-WBVHZDCISA-N 2 2 258.409 3.205 20 30 CGEDLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccc(C#N)cc1 ZINC000423446303 533889846 /nfs/dbraw/zinc/88/98/46/533889846.db2.gz ZANBYGHACYENRG-LIRRHRJNSA-N 2 2 291.398 3.096 20 30 CGEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)CCC2 ZINC000359900968 534511469 /nfs/dbraw/zinc/51/14/69/534511469.db2.gz PTYIVGUGRVWTDD-WMLDXEAASA-N 2 2 294.402 3.291 20 30 CGEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1Cl ZINC000347203857 526868527 /nfs/dbraw/zinc/86/85/27/526868527.db2.gz KWINBYRVWJZJHP-CQSZACIVSA-N 2 2 294.826 3.076 20 30 CGEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1Cl ZINC000347203857 526868533 /nfs/dbraw/zinc/86/85/33/526868533.db2.gz KWINBYRVWJZJHP-CQSZACIVSA-N 2 2 294.826 3.076 20 30 CGEDLP CCCCCCCC[C@@H]([NH3+])c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000900009792 620745285 /nfs/dbraw/zinc/74/52/85/620745285.db2.gz KFVSMIYBPVKVQJ-OLZOCXBDSA-N 2 2 280.416 3.245 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000924728048 620579994 /nfs/dbraw/zinc/57/99/94/620579994.db2.gz DPRKAKIAOURNSJ-KBPBESRZSA-N 2 2 276.428 3.216 20 30 CGEDLP C=CCCCCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000783039690 628674078 /nfs/dbraw/zinc/67/40/78/628674078.db2.gz NGKNTWLWJIHOSN-UHFFFAOYSA-N 2 2 289.423 3.132 20 30 CGEDLP C=CCCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000790496850 629213399 /nfs/dbraw/zinc/21/33/99/629213399.db2.gz OMLPKOGAJWEPCY-UHFFFAOYSA-N 2 2 287.451 3.277 20 30 CGEDLP C=CCCCCC[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000810253203 630859838 /nfs/dbraw/zinc/85/98/38/630859838.db2.gz OBDQTBKHCFVTKH-UONOGXRCSA-N 2 2 261.413 3.382 20 30 CGEDLP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000817955583 632250552 /nfs/dbraw/zinc/25/05/52/632250552.db2.gz ZLXBYIISTFNQTH-BEFAXECRSA-N 2 2 294.398 3.049 20 30 CGEDLP C=CCC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000826915597 633444064 /nfs/dbraw/zinc/44/40/64/633444064.db2.gz PPDVRBMTCNSDBF-RDJZCZTQSA-N 2 2 258.409 3.063 20 30 CGEDLP C=CCC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000826915597 633444066 /nfs/dbraw/zinc/44/40/66/633444066.db2.gz PPDVRBMTCNSDBF-RDJZCZTQSA-N 2 2 258.409 3.063 20 30 CGEDLP CC[C@@H]([NH2+]CCC[NH+](CC)CC)c1cccc(C#N)c1O ZINC000924528946 638351398 /nfs/dbraw/zinc/35/13/98/638351398.db2.gz RXIIXZOBSGZYAT-MRXNPFEDSA-N 2 2 289.423 3.036 20 30 CGEDLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925052200 638443700 /nfs/dbraw/zinc/44/37/00/638443700.db2.gz PHGCKMATQWCTNW-LSDHHAIUSA-N 2 2 265.445 3.169 20 30 CGEDLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925052200 638443707 /nfs/dbraw/zinc/44/37/07/638443707.db2.gz PHGCKMATQWCTNW-LSDHHAIUSA-N 2 2 265.445 3.169 20 30 CGEDLP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926316099 638762471 /nfs/dbraw/zinc/76/24/71/638762471.db2.gz MPIYBFGKZWBGRE-IPMKNSEASA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926316099 638762476 /nfs/dbraw/zinc/76/24/76/638762476.db2.gz MPIYBFGKZWBGRE-IPMKNSEASA-N 2 2 295.430 3.152 20 30 CGEDLP CC[C@@H](C)c1ccc(NC(=[NH2+])NCCCn2cc[nH+]c2)cc1 ZINC000303709679 640839310 /nfs/dbraw/zinc/83/93/10/640839310.db2.gz NWZCMXDAPGETPS-CQSZACIVSA-N 2 2 299.422 3.214 20 30 CGEDLP CC[NH+]1CCC(N(C)c2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001165067085 806967952 /nfs/dbraw/zinc/96/79/52/806967952.db2.gz AOZBYSDSOAEPFS-UHFFFAOYSA-N 2 2 294.402 3.027 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246032917 804102421 /nfs/dbraw/zinc/10/24/21/804102421.db2.gz MVEDLOSTMAIJHQ-ROUUACIJSA-N 2 2 294.483 3.092 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246032917 804102426 /nfs/dbraw/zinc/10/24/26/804102426.db2.gz MVEDLOSTMAIJHQ-ROUUACIJSA-N 2 2 294.483 3.092 20 30 CGEDLP CCCCCCCCC[C@@H](C)[NH2+][C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001246149101 804169436 /nfs/dbraw/zinc/16/94/36/804169436.db2.gz CAWAUFHJBGUWNA-NCOADZHNSA-N 2 2 282.472 3.235 20 30 CGEDLP CCCCCCC[C@H](CCC)[N@@H+]1C[C@H]2C[NH2+]C[C@@H]21 ZINC001246918488 804600326 /nfs/dbraw/zinc/60/03/26/804600326.db2.gz KPPFJVQYXUJPKK-PMPSAXMXSA-N 2 2 252.446 3.419 20 30 CGEDLP CCCCCCC[C@H](CCC)[N@H+]1C[C@H]2C[NH2+]C[C@@H]21 ZINC001246918488 804600332 /nfs/dbraw/zinc/60/03/32/804600332.db2.gz KPPFJVQYXUJPKK-PMPSAXMXSA-N 2 2 252.446 3.419 20 30 CGEDLP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1[nH+]ccc2ccc(C#N)cc21 ZINC001155024358 805524625 /nfs/dbraw/zinc/52/46/25/805524625.db2.gz HGDQZXHWGYIVPZ-CZUORRHYSA-N 2 2 294.402 3.154 20 30 CGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C2CCC(CC#N)CC2)C1 ZINC001173341527 808621448 /nfs/dbraw/zinc/62/14/48/808621448.db2.gz YOUYKGUWYILSHO-OFLPRAFFSA-N 2 2 299.418 3.316 20 30 CGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173341527 808621456 /nfs/dbraw/zinc/62/14/56/808621456.db2.gz YOUYKGUWYILSHO-OFLPRAFFSA-N 2 2 299.418 3.316 20 30 CGEDLP C=CCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001209160788 813951444 /nfs/dbraw/zinc/95/14/44/813951444.db2.gz CCUUNVHCGNMYRG-CABCVRRESA-N 2 2 291.464 3.006 20 30 CGEDLP C=CCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001209160788 813951449 /nfs/dbraw/zinc/95/14/49/813951449.db2.gz CCUUNVHCGNMYRG-CABCVRRESA-N 2 2 291.464 3.006 20 30 CGEDLP C=CCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001209160788 813951454 /nfs/dbraw/zinc/95/14/54/813951454.db2.gz CCUUNVHCGNMYRG-CABCVRRESA-N 2 2 291.464 3.006 20 30 CGEDLP C=CCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001209160788 813951461 /nfs/dbraw/zinc/95/14/61/813951461.db2.gz CCUUNVHCGNMYRG-CABCVRRESA-N 2 2 291.464 3.006 20 30 CGEDLP C=CCCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001209208368 813968051 /nfs/dbraw/zinc/96/80/51/813968051.db2.gz SMCPXENKOYWRET-HNNXBMFYSA-N 2 2 260.381 3.199 20 30 CGEDLP C=CCCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001209208368 813968056 /nfs/dbraw/zinc/96/80/56/813968056.db2.gz SMCPXENKOYWRET-HNNXBMFYSA-N 2 2 260.381 3.199 20 30 CGEDLP C=CCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001209423811 814025625 /nfs/dbraw/zinc/02/56/25/814025625.db2.gz YTTXLTWAKHIXGR-KDURUIRLSA-N 2 2 299.462 3.192 20 30 CGEDLP C=CCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001209423811 814025631 /nfs/dbraw/zinc/02/56/31/814025631.db2.gz YTTXLTWAKHIXGR-KDURUIRLSA-N 2 2 299.462 3.192 20 30 CGEDLP C=CCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001209423811 814025635 /nfs/dbraw/zinc/02/56/35/814025635.db2.gz YTTXLTWAKHIXGR-KDURUIRLSA-N 2 2 299.462 3.192 20 30 CGEDLP C=CCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001209423811 814025641 /nfs/dbraw/zinc/02/56/41/814025641.db2.gz YTTXLTWAKHIXGR-KDURUIRLSA-N 2 2 299.462 3.192 20 30 CGEDLP C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2c[nH+]cn2C)cc1 ZINC001243072667 823235721 /nfs/dbraw/zinc/23/57/21/823235721.db2.gz UMNZVMJGOSHHPP-MRXNPFEDSA-N 2 2 267.376 3.410 20 30 CGEDLP C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2c[nH+]cn2C)cc1 ZINC001243072667 823235723 /nfs/dbraw/zinc/23/57/23/823235723.db2.gz UMNZVMJGOSHHPP-MRXNPFEDSA-N 2 2 267.376 3.410 20 30 CGEDLP CCCCCCCC[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236328323 819427098 /nfs/dbraw/zinc/42/70/98/819427098.db2.gz PBILEVGMTDCEDM-MRXNPFEDSA-N 2 2 270.461 3.047 20 30 CGEDLP CCCCCCCC[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236328323 819427102 /nfs/dbraw/zinc/42/71/02/819427102.db2.gz PBILEVGMTDCEDM-MRXNPFEDSA-N 2 2 270.461 3.047 20 30 CGEDLP CCCCCCCCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001236424157 819471788 /nfs/dbraw/zinc/47/17/88/819471788.db2.gz RVQIAFMONIIENT-DLBZAZTESA-N 2 2 284.488 3.301 20 30 CGEDLP CCCCCCCCCCCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001236424157 819471790 /nfs/dbraw/zinc/47/17/90/819471790.db2.gz RVQIAFMONIIENT-DLBZAZTESA-N 2 2 284.488 3.301 20 30 CGEDLP C#C[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236914889 819636245 /nfs/dbraw/zinc/63/62/45/819636245.db2.gz WNFXNIDXEDPNNQ-AWEZNQCLSA-N 2 2 299.805 3.371 20 30 CGEDLP C#C[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC001236914889 819636249 /nfs/dbraw/zinc/63/62/49/819636249.db2.gz WNFXNIDXEDPNNQ-AWEZNQCLSA-N 2 2 299.805 3.371 20 30 CGEDLP Cc1cc(C#N)cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242479624 823006954 /nfs/dbraw/zinc/00/69/54/823006954.db2.gz AVNGBWOUHFGYCI-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1cc(C#N)cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242479624 823006956 /nfs/dbraw/zinc/00/69/56/823006956.db2.gz AVNGBWOUHFGYCI-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP C=CC[C@H]1CC[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)C1 ZINC001461811857 937598928 /nfs/dbraw/zinc/59/89/28/937598928.db2.gz QKISVGYMCISXET-GJZGRUSLSA-N 2 2 250.430 3.053 20 30 CGEDLP C=CC[C@H]1CC[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)C1 ZINC001461811857 937598929 /nfs/dbraw/zinc/59/89/29/937598929.db2.gz QKISVGYMCISXET-GJZGRUSLSA-N 2 2 250.430 3.053 20 30 CGEDLP CCC#C[C@@H](C)[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC001473777628 937821892 /nfs/dbraw/zinc/82/18/92/937821892.db2.gz FGKVMWBTPPUYDY-MRXNPFEDSA-N 2 2 262.441 3.129 20 30 CGEDLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000591017657 346895149 /nfs/dbraw/zinc/89/51/49/346895149.db2.gz BEIRLFWWGGPOMV-MRXNPFEDSA-N 2 2 277.456 3.313 20 30 CGEDLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000591017657 346895152 /nfs/dbraw/zinc/89/51/52/346895152.db2.gz BEIRLFWWGGPOMV-MRXNPFEDSA-N 2 2 277.456 3.313 20 30 CGEDLP C[NH+](CCC[N@@H+](C)CC#Cc1ccccc1)Cc1ccco1 ZINC000353579861 529822782 /nfs/dbraw/zinc/82/27/82/529822782.db2.gz XOXDYHHOANXCSV-UHFFFAOYSA-N 2 2 296.414 3.085 20 30 CGEDLP C[NH+](CCC[N@H+](C)CC#Cc1ccccc1)Cc1ccco1 ZINC000353579861 529822783 /nfs/dbraw/zinc/82/27/83/529822783.db2.gz XOXDYHHOANXCSV-UHFFFAOYSA-N 2 2 296.414 3.085 20 30 CGEDLP C[NH+](CC#Cc1ccccc1)CCC[N@H+](C)Cc1ccco1 ZINC000353579861 529822784 /nfs/dbraw/zinc/82/27/84/529822784.db2.gz XOXDYHHOANXCSV-UHFFFAOYSA-N 2 2 296.414 3.085 20 30 CGEDLP C[NH+](CC#Cc1ccccc1)CCC[N@@H+](C)Cc1ccco1 ZINC000353579861 529822785 /nfs/dbraw/zinc/82/27/85/529822785.db2.gz XOXDYHHOANXCSV-UHFFFAOYSA-N 2 2 296.414 3.085 20 30 CGEDLP CC(C)[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593701918 347105256 /nfs/dbraw/zinc/10/52/56/347105256.db2.gz HTCCSFGPFGUOJD-OAHLLOKOSA-N 2 2 285.435 3.157 20 30 CGEDLP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000593715455 347106941 /nfs/dbraw/zinc/10/69/41/347106941.db2.gz LYYPHRUZJROTHL-CQSZACIVSA-N 2 2 291.414 3.326 20 30 CGEDLP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000593715455 347106946 /nfs/dbraw/zinc/10/69/46/347106946.db2.gz LYYPHRUZJROTHL-CQSZACIVSA-N 2 2 291.414 3.326 20 30 CGEDLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(C#N)c1 ZINC000594519816 347188029 /nfs/dbraw/zinc/18/80/29/347188029.db2.gz LNRNFIPRMNFGIV-QGTPRVQTSA-N 2 2 283.419 3.226 20 30 CGEDLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(C#N)c1 ZINC000594519816 347188030 /nfs/dbraw/zinc/18/80/30/347188030.db2.gz LNRNFIPRMNFGIV-QGTPRVQTSA-N 2 2 283.419 3.226 20 30 CGEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595096326 347282461 /nfs/dbraw/zinc/28/24/61/347282461.db2.gz JAGFYPMJMGUTNX-WMZOPIPTSA-N 2 2 283.419 3.010 20 30 CGEDLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595096326 347282462 /nfs/dbraw/zinc/28/24/62/347282462.db2.gz JAGFYPMJMGUTNX-WMZOPIPTSA-N 2 2 283.419 3.010 20 30 CGEDLP N#CC1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CCCCC1 ZINC000596652298 347498665 /nfs/dbraw/zinc/49/86/65/347498665.db2.gz PDZZPRPMBDZHGR-HZPDHXFCSA-N 2 2 269.392 3.195 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000602665184 348004329 /nfs/dbraw/zinc/00/43/29/348004329.db2.gz SSACBXRUKGLSEF-RYRKJORJSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000602665184 348004331 /nfs/dbraw/zinc/00/43/31/348004331.db2.gz SSACBXRUKGLSEF-RYRKJORJSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)C#N)CC2)C1 ZINC000612585410 348530515 /nfs/dbraw/zinc/53/05/15/348530515.db2.gz BDINVTYAJONSTM-ZBFHGGJFSA-N 2 2 277.456 3.169 20 30 CGEDLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614174347 348655004 /nfs/dbraw/zinc/65/50/04/348655004.db2.gz XYKHNDVOBRPKCS-UHFFFAOYSA-N 2 2 299.462 3.450 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000177905155 189078567 /nfs/dbraw/zinc/07/85/67/189078567.db2.gz TWWZDXZJWHNCQG-IBGZPJMESA-N 2 2 284.447 3.248 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000179122803 189171276 /nfs/dbraw/zinc/17/12/76/189171276.db2.gz YPEHXNLYMNTBEX-CYBMUJFWSA-N 2 2 293.842 3.426 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000179122791 189171329 /nfs/dbraw/zinc/17/13/29/189171329.db2.gz YPEHXNLYMNTBEX-ZDUSSCGKSA-N 2 2 293.842 3.426 20 30 CGEDLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000181557138 189300473 /nfs/dbraw/zinc/30/04/73/189300473.db2.gz NUCBYRIVFULZET-INIZCTEOSA-N 2 2 293.414 3.341 20 30 CGEDLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc(C#N)cc1 ZINC000181557138 189300474 /nfs/dbraw/zinc/30/04/74/189300474.db2.gz NUCBYRIVFULZET-INIZCTEOSA-N 2 2 293.414 3.341 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+]CC2(CC#N)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000430770750 372396102 /nfs/dbraw/zinc/39/61/02/372396102.db2.gz VPXBVTQUGUMMQE-AEFFLSMTSA-N 2 2 297.446 3.180 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+]CC2(CC#N)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000430770750 372396108 /nfs/dbraw/zinc/39/61/08/372396108.db2.gz VPXBVTQUGUMMQE-AEFFLSMTSA-N 2 2 297.446 3.180 20 30 CGEDLP CC[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)[NH+]1CCCC1 ZINC000353412207 220068513 /nfs/dbraw/zinc/06/85/13/220068513.db2.gz LDWFUKQBIXYMJC-SJLPKXTDSA-N 2 2 283.419 3.010 20 30 CGEDLP C=C(C)CC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449475215 373761267 /nfs/dbraw/zinc/76/12/67/373761267.db2.gz KZMABUHOZSVRDC-DOTOQJQBSA-N 2 2 258.409 3.378 20 30 CGEDLP C=C(C)CC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449475215 373761273 /nfs/dbraw/zinc/76/12/73/373761273.db2.gz KZMABUHOZSVRDC-DOTOQJQBSA-N 2 2 258.409 3.378 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000185384476 374654250 /nfs/dbraw/zinc/65/42/50/374654250.db2.gz XGGYWYKHDAZAHR-ZDUSSCGKSA-N 2 2 292.398 3.222 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000578890278 378110001 /nfs/dbraw/zinc/11/00/01/378110001.db2.gz QGVNDHMUIHVAHI-INIZCTEOSA-N 2 2 262.441 3.339 20 30 CGEDLP C=C(CC)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000346519446 378602520 /nfs/dbraw/zinc/60/25/20/378602520.db2.gz ARLWZMIWVSKTAA-AWEZNQCLSA-N 2 2 255.365 3.489 20 30 CGEDLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC1(C#N)CC1 ZINC000346545712 378613425 /nfs/dbraw/zinc/61/34/25/378613425.db2.gz ZFMMLDQSTWHRAM-HZPDHXFCSA-N 2 2 297.446 3.036 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(F)F)C(C)C ZINC000638358069 378776684 /nfs/dbraw/zinc/77/66/84/378776684.db2.gz YSAMMIMIUUAOTR-SOUVJXGZSA-N 2 2 286.410 3.318 20 30 CGEDLP C=C(C)CC[N@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000351872585 379748100 /nfs/dbraw/zinc/74/81/00/379748100.db2.gz DUBXXSOYDYPZRJ-JYJNAYRXSA-N 2 2 250.430 3.290 20 30 CGEDLP C=C(C)CC[N@@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000351872585 379748104 /nfs/dbraw/zinc/74/81/04/379748104.db2.gz DUBXXSOYDYPZRJ-JYJNAYRXSA-N 2 2 250.430 3.290 20 30 CGEDLP C=CCOc1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1 ZINC000352913320 380034478 /nfs/dbraw/zinc/03/44/78/380034478.db2.gz GVEYRNUOQOSKPV-UHFFFAOYSA-N 2 2 297.402 3.002 20 30 CGEDLP N#CC1(CC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CCCCC1 ZINC000411326625 380141276 /nfs/dbraw/zinc/14/12/76/380141276.db2.gz PYURYDMAGACHME-KRWDZBQOSA-N 2 2 299.418 3.399 20 30 CGEDLP N#CC1(CC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CCCCC1 ZINC000411326625 380141279 /nfs/dbraw/zinc/14/12/79/380141279.db2.gz PYURYDMAGACHME-KRWDZBQOSA-N 2 2 299.418 3.399 20 30 CGEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848783 419118550 /nfs/dbraw/zinc/11/85/50/419118550.db2.gz KIYFBRCBWFYXBS-XHSDSOJGSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@H](CC)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848783 419118552 /nfs/dbraw/zinc/11/85/52/419118552.db2.gz KIYFBRCBWFYXBS-XHSDSOJGSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849841 419120413 /nfs/dbraw/zinc/12/04/13/419120413.db2.gz ZFZVSQUEPVZLJV-CAOSSQGBSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849841 419120415 /nfs/dbraw/zinc/12/04/15/419120415.db2.gz ZFZVSQUEPVZLJV-CAOSSQGBSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCOc1ccccc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657523850 419297112 /nfs/dbraw/zinc/29/71/12/419297112.db2.gz LIPZDMINFCHQDK-MRXNPFEDSA-N 2 2 288.435 3.214 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000657561534 419304499 /nfs/dbraw/zinc/30/44/99/419304499.db2.gz BBJHDRXECOVDHD-RBSFLKMASA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000657561534 419304501 /nfs/dbraw/zinc/30/45/01/419304501.db2.gz BBJHDRXECOVDHD-RBSFLKMASA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000657898795 419424632 /nfs/dbraw/zinc/42/46/32/419424632.db2.gz QPGYEKHJXQSPGD-PMPSAXMXSA-N 2 2 282.497 3.148 20 30 CGEDLP C=CCOc1ccccc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000221786634 262296650 /nfs/dbraw/zinc/29/66/50/262296650.db2.gz MHPMDPIOXNQTLI-UHFFFAOYSA-N 2 2 276.424 3.071 20 30 CGEDLP C=CCOc1ccccc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000221786634 262296652 /nfs/dbraw/zinc/29/66/52/262296652.db2.gz MHPMDPIOXNQTLI-UHFFFAOYSA-N 2 2 276.424 3.071 20 30 CGEDLP C[C@H](CC#N)[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411325606 262689764 /nfs/dbraw/zinc/68/97/64/262689764.db2.gz ZVIYGYKDIBOAMV-MRXNPFEDSA-N 2 2 285.435 3.406 20 30 CGEDLP C[C@H](CC#N)[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411325606 262689765 /nfs/dbraw/zinc/68/97/65/262689765.db2.gz ZVIYGYKDIBOAMV-MRXNPFEDSA-N 2 2 285.435 3.406 20 30 CGEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000287377791 263101882 /nfs/dbraw/zinc/10/18/82/263101882.db2.gz PFUDBZYFGSQXRU-QXCFHYIPSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000287377791 263101883 /nfs/dbraw/zinc/10/18/83/263101883.db2.gz PFUDBZYFGSQXRU-QXCFHYIPSA-N 2 2 297.446 3.321 20 30 CGEDLP C=CCC(C)(C)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000340429762 263142915 /nfs/dbraw/zinc/14/29/15/263142915.db2.gz ONZYUEDAFPJGAA-UHFFFAOYSA-N 2 2 287.451 3.238 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000294949576 263169850 /nfs/dbraw/zinc/16/98/50/263169850.db2.gz CXTFNLYSXHVCKP-PBWTXFEYSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C[N@H+]1Cc1ccccc1 ZINC000294949576 263169851 /nfs/dbraw/zinc/16/98/51/263169851.db2.gz CXTFNLYSXHVCKP-PBWTXFEYSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000366822119 265015443 /nfs/dbraw/zinc/01/54/43/265015443.db2.gz IZVHXTHRSKLKDV-DOTOQJQBSA-N 2 2 283.419 3.105 20 30 CGEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000366822119 265015446 /nfs/dbraw/zinc/01/54/46/265015446.db2.gz IZVHXTHRSKLKDV-DOTOQJQBSA-N 2 2 283.419 3.105 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000376925159 268030380 /nfs/dbraw/zinc/03/03/80/268030380.db2.gz CGRIGDDBAHFCGE-MRXNPFEDSA-N 2 2 277.456 3.313 20 30 CGEDLP C=CCCC[C@H](C)[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000340599830 328295915 /nfs/dbraw/zinc/29/59/15/328295915.db2.gz IBIQGXMCNIUJJT-INIZCTEOSA-N 2 2 273.424 3.257 20 30 CGEDLP C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000340732669 328399407 /nfs/dbraw/zinc/39/94/07/328399407.db2.gz AXYCOLISWTZFSD-HZPDHXFCSA-N 2 2 250.430 3.291 20 30 CGEDLP C=CCCC[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000340732669 328399408 /nfs/dbraw/zinc/39/94/08/328399408.db2.gz AXYCOLISWTZFSD-HZPDHXFCSA-N 2 2 250.430 3.291 20 30 CGEDLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449136040 327059789 /nfs/dbraw/zinc/05/97/89/327059789.db2.gz TWQPKAJNUGOGFU-RYTJFDOTSA-N 2 2 277.456 3.311 20 30 CGEDLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449136040 327059787 /nfs/dbraw/zinc/05/97/87/327059787.db2.gz TWQPKAJNUGOGFU-RYTJFDOTSA-N 2 2 277.456 3.311 20 30 CGEDLP C=CCC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000377758533 329028293 /nfs/dbraw/zinc/02/82/93/329028293.db2.gz XGZFWJLITJUXMM-TZMCWYRMSA-N 2 2 271.364 3.157 20 30 CGEDLP C=CCC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000377758533 329028294 /nfs/dbraw/zinc/02/82/94/329028294.db2.gz XGZFWJLITJUXMM-TZMCWYRMSA-N 2 2 271.364 3.157 20 30 CGEDLP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000192727070 329435532 /nfs/dbraw/zinc/43/55/32/329435532.db2.gz XAZITHSZGWVUBO-ZBFHGGJFSA-N 2 2 280.375 3.044 20 30 CGEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000442642493 330777944 /nfs/dbraw/zinc/77/79/44/330777944.db2.gz DRVOJTJLWLTIET-QLFBSQMISA-N 2 2 289.448 3.167 20 30 CGEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459684037 331294232 /nfs/dbraw/zinc/29/42/32/331294232.db2.gz BOPMHVXACQCFCU-RDJZCZTQSA-N 2 2 285.435 3.351 20 30 CGEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459684037 331294233 /nfs/dbraw/zinc/29/42/33/331294233.db2.gz BOPMHVXACQCFCU-RDJZCZTQSA-N 2 2 285.435 3.351 20 30 CGEDLP C#C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(C)(C)C ZINC000491349844 332194807 /nfs/dbraw/zinc/19/48/07/332194807.db2.gz KOQJOKYYUJNHIK-CQSZACIVSA-N 2 2 273.405 3.071 20 30 CGEDLP C#C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)c1ccc(Cl)cc1 ZINC000491617433 332244398 /nfs/dbraw/zinc/24/43/98/332244398.db2.gz KDFDDSQFPOTEEJ-MRXNPFEDSA-N 2 2 295.773 3.452 20 30 CGEDLP C=CCCC[C@@H](C)[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000538148197 333576508 /nfs/dbraw/zinc/57/65/08/333576508.db2.gz RPNSIAMBAMFUPZ-MRXNPFEDSA-N 2 2 273.424 3.257 20 30 CGEDLP CC[C@@H]([NH2+]C[C@H](CC)[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000576460186 335206405 /nfs/dbraw/zinc/20/64/05/335206405.db2.gz RRCIWYMHTRAPOP-ZWKOTPCHSA-N 2 2 285.435 3.473 20 30 CGEDLP CC[C@H](C[NH2+][C@H](CC)c1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000576460184 335206416 /nfs/dbraw/zinc/20/64/16/335206416.db2.gz RRCIWYMHTRAPOP-QZTJIDSGSA-N 2 2 285.435 3.473 20 30 CGEDLP N#Cc1csc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000177691026 335379159 /nfs/dbraw/zinc/37/91/59/335379159.db2.gz YEZPTIXXRCFYRP-UHFFFAOYSA-N 2 2 296.399 3.218 20 30 CGEDLP C=CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccco1 ZINC000353675720 527488190 /nfs/dbraw/zinc/48/81/90/527488190.db2.gz WCYQMMHEOSYTDB-KBPBESRZSA-N 2 2 271.364 3.088 20 30 CGEDLP CC(C)[N@H+](C)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000350519621 528824827 /nfs/dbraw/zinc/82/48/27/528824827.db2.gz ZKVVAQTVHFEYKC-UHFFFAOYSA-N 2 2 299.462 3.320 20 30 CGEDLP CC(C)[N@@H+](C)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000350519621 528824828 /nfs/dbraw/zinc/82/48/28/528824828.db2.gz ZKVVAQTVHFEYKC-UHFFFAOYSA-N 2 2 299.462 3.320 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926707787 618832478 /nfs/dbraw/zinc/83/24/78/618832478.db2.gz VEKSXEJOJZLAMV-GJZGRUSLSA-N 2 2 277.456 3.311 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926707787 618832479 /nfs/dbraw/zinc/83/24/79/618832479.db2.gz VEKSXEJOJZLAMV-GJZGRUSLSA-N 2 2 277.456 3.311 20 30 CGEDLP CC[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000902484212 621352973 /nfs/dbraw/zinc/35/29/73/621352973.db2.gz USBYTJHPZNNOOC-SJORKVTESA-N 2 2 271.408 3.131 20 30 CGEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000823683606 633137336 /nfs/dbraw/zinc/13/73/36/633137336.db2.gz DJZWVCQYAGMJIO-ISXOHVOVSA-N 2 2 288.439 3.360 20 30 CGEDLP C#CCCCCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000876650762 634875554 /nfs/dbraw/zinc/87/55/54/634875554.db2.gz JCGNTQMMLVLDTB-UHFFFAOYSA-N 2 2 259.397 3.173 20 30 CGEDLP C#CCCCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569773 636023266 /nfs/dbraw/zinc/02/32/66/636023266.db2.gz KPQHBCOPUPOVGA-GOSISDBHSA-N 2 2 281.403 3.408 20 30 CGEDLP C=CCCCCC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000850553941 637118879 /nfs/dbraw/zinc/11/88/79/637118879.db2.gz BCGNMTLQKXCRQG-WMZOPIPTSA-N 2 2 294.483 3.354 20 30 CGEDLP CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1cccc(C#N)c1O ZINC000924616957 638376180 /nfs/dbraw/zinc/37/61/80/638376180.db2.gz HGIMCOXEEATXBA-INIZCTEOSA-N 2 2 289.423 3.035 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000924806195 638408141 /nfs/dbraw/zinc/40/81/41/638408141.db2.gz AEBRROBZQHCNML-CQSZACIVSA-N 2 2 282.391 3.290 20 30 CGEDLP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926316085 638762645 /nfs/dbraw/zinc/76/26/45/638762645.db2.gz MPIYBFGKZWBGRE-FHWLQOOXSA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926316085 638762648 /nfs/dbraw/zinc/76/26/48/638762648.db2.gz MPIYBFGKZWBGRE-FHWLQOOXSA-N 2 2 295.430 3.152 20 30 CGEDLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000929969272 638965049 /nfs/dbraw/zinc/96/50/49/638965049.db2.gz KFSDLQYRUAFYMV-INIZCTEOSA-N 2 2 277.456 3.313 20 30 CGEDLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929969272 638965051 /nfs/dbraw/zinc/96/50/51/638965051.db2.gz KFSDLQYRUAFYMV-INIZCTEOSA-N 2 2 277.456 3.313 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931351959 639139931 /nfs/dbraw/zinc/13/99/31/639139931.db2.gz BMVXZUXTYOEFLT-AWEZNQCLSA-N 2 2 271.408 3.035 20 30 CGEDLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCC1(C#N)CCC1 ZINC000931720469 639196400 /nfs/dbraw/zinc/19/64/00/639196400.db2.gz YDFGNTVRGWANPB-JKSUJKDBSA-N 2 2 275.440 3.019 20 30 CGEDLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCCC1(C#N)CCC1 ZINC000931720469 639196403 /nfs/dbraw/zinc/19/64/03/639196403.db2.gz YDFGNTVRGWANPB-JKSUJKDBSA-N 2 2 275.440 3.019 20 30 CGEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCCC1(C#N)CCC1 ZINC000931720469 639196408 /nfs/dbraw/zinc/19/64/08/639196408.db2.gz YDFGNTVRGWANPB-JKSUJKDBSA-N 2 2 275.440 3.019 20 30 CGEDLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCCC1(C#N)CCC1 ZINC000931720469 639196414 /nfs/dbraw/zinc/19/64/14/639196414.db2.gz YDFGNTVRGWANPB-JKSUJKDBSA-N 2 2 275.440 3.019 20 30 CGEDLP Cc1cccc(NC(=[NH2+])NCCCCNc2cccc[nH+]2)c1 ZINC000303983359 640852940 /nfs/dbraw/zinc/85/29/40/640852940.db2.gz RDJQBYSVWFWXEL-UHFFFAOYSA-N 2 2 297.406 3.009 20 30 CGEDLP CC[C@@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)[NH+]1CCCC1 ZINC000125825510 799004085 /nfs/dbraw/zinc/00/40/85/799004085.db2.gz PNMQOIBDXBAAFI-XBMUEBEBSA-N 2 2 297.446 3.074 20 30 CGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C#N ZINC000405149132 799581663 /nfs/dbraw/zinc/58/16/63/799581663.db2.gz FRCCMQVGANSZLD-NVXWUHKLSA-N 2 2 285.435 3.036 20 30 CGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C#N ZINC000405149132 799581665 /nfs/dbraw/zinc/58/16/65/799581665.db2.gz FRCCMQVGANSZLD-NVXWUHKLSA-N 2 2 285.435 3.036 20 30 CGEDLP C#C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000705332944 799948202 /nfs/dbraw/zinc/94/82/02/799948202.db2.gz OPKZXZNYKIEEHV-SFHVURJKSA-N 2 2 284.447 3.289 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@H+](CCC)[C@H]1CC[NH2+]C1 ZINC001246053546 804104082 /nfs/dbraw/zinc/10/40/82/804104082.db2.gz SGDZOAWJLIIHEH-DLBZAZTESA-N 2 2 284.488 3.172 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@@H+](CCC)[C@H]1CC[NH2+]C1 ZINC001246053546 804104087 /nfs/dbraw/zinc/10/40/87/804104087.db2.gz SGDZOAWJLIIHEH-DLBZAZTESA-N 2 2 284.488 3.172 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001246061562 804104963 /nfs/dbraw/zinc/10/49/63/804104963.db2.gz GDYBKTYWCADWJT-MSOLQXFVSA-N 2 2 296.499 3.314 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001246061562 804104964 /nfs/dbraw/zinc/10/49/64/804104964.db2.gz GDYBKTYWCADWJT-MSOLQXFVSA-N 2 2 296.499 3.314 20 30 CGEDLP CCCCCCCC[C@@H](CCC)[NH2+][C@@H]1C[NH2+]CC[C@H]1O ZINC001246088501 804120691 /nfs/dbraw/zinc/12/06/91/804120691.db2.gz VCBQUARPBRQOHC-BRWVUGGUSA-N 2 2 284.488 3.218 20 30 CGEDLP CCCCCCC[C@@H](CC(C)C)[NH2+][C@@H]1CCOC12C[NH2+]C2 ZINC001246124987 804152608 /nfs/dbraw/zinc/15/26/08/804152608.db2.gz IDVZBYSUCMMXIC-DLBZAZTESA-N 2 2 296.499 3.482 20 30 CGEDLP CCCCCCC[C@H](CC)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246337559 804291370 /nfs/dbraw/zinc/29/13/70/804291370.db2.gz UCOAZVOJYJRNCL-GJZGRUSLSA-N 2 2 272.502 3.420 20 30 CGEDLP CCCCCCCCC[C@@H](C)[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246562186 804412055 /nfs/dbraw/zinc/41/20/55/804412055.db2.gz YYHVRJCHUSWLFA-IAGOWNOFSA-N 2 2 284.488 3.436 20 30 CGEDLP CCCCCCCCC[C@@H](C)[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001246562186 804412060 /nfs/dbraw/zinc/41/20/60/804412060.db2.gz YYHVRJCHUSWLFA-IAGOWNOFSA-N 2 2 284.488 3.436 20 30 CGEDLP CC(C)[N@H+](C1CC[NH+](C)CC1)C1CCC(C)(C#N)CC1 ZINC001173597556 808650840 /nfs/dbraw/zinc/65/08/40/808650840.db2.gz YFDYZDBNNSBBMO-UHFFFAOYSA-N 2 2 277.456 3.263 20 30 CGEDLP CC(C)[N@@H+](C1CC[NH+](C)CC1)C1CCC(C)(C#N)CC1 ZINC001173597556 808650844 /nfs/dbraw/zinc/65/08/44/808650844.db2.gz YFDYZDBNNSBBMO-UHFFFAOYSA-N 2 2 277.456 3.263 20 30 CGEDLP C=C(C)C[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001175382656 809385818 /nfs/dbraw/zinc/38/58/18/809385818.db2.gz UCWOCSSZNNZYQZ-RTBURBONSA-N 2 2 284.447 3.407 20 30 CGEDLP CC#CCC[NH2+][C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001180469227 810003439 /nfs/dbraw/zinc/00/34/39/810003439.db2.gz HXQCLIUQEMCRRJ-AEFFLSMTSA-N 2 2 270.420 3.043 20 30 CGEDLP CC#CCC[NH2+][C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001180469227 810003444 /nfs/dbraw/zinc/00/34/44/810003444.db2.gz HXQCLIUQEMCRRJ-AEFFLSMTSA-N 2 2 270.420 3.043 20 30 CGEDLP C[NH+](C)CC1(C[N@H+](CCC#N)C2CCCC2)CCCC1 ZINC001208191633 813737033 /nfs/dbraw/zinc/73/70/33/813737033.db2.gz MNBLISAAPDZPQA-UHFFFAOYSA-N 2 2 277.456 3.267 20 30 CGEDLP C[NH+](C)CC1(C[N@@H+](CCC#N)C2CCCC2)CCCC1 ZINC001208191633 813737038 /nfs/dbraw/zinc/73/70/38/813737038.db2.gz MNBLISAAPDZPQA-UHFFFAOYSA-N 2 2 277.456 3.267 20 30 CGEDLP Cc1ccc(C#N)cc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001242542641 823025208 /nfs/dbraw/zinc/02/52/08/823025208.db2.gz NAXQNZJWYAVOFX-KRWDZBQOSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(C#N)cc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001242542641 823025210 /nfs/dbraw/zinc/02/52/10/823025210.db2.gz NAXQNZJWYAVOFX-KRWDZBQOSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(C#N)cc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242542463 823025226 /nfs/dbraw/zinc/02/52/26/823025226.db2.gz IIRGAOMSFWNLON-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(C#N)cc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242542463 823025227 /nfs/dbraw/zinc/02/52/27/823025227.db2.gz IIRGAOMSFWNLON-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP C[NH+](CCC[N@@H+](C)CCCC(C)(C)C#N)Cc1ccco1 ZINC000353569822 529886107 /nfs/dbraw/zinc/88/61/07/529886107.db2.gz GLWFOZPUHWOAFM-UHFFFAOYSA-N 2 2 291.439 3.363 20 30 CGEDLP C[NH+](CCC[N@H+](C)CCCC(C)(C)C#N)Cc1ccco1 ZINC000353569822 529886108 /nfs/dbraw/zinc/88/61/08/529886108.db2.gz GLWFOZPUHWOAFM-UHFFFAOYSA-N 2 2 291.439 3.363 20 30 CGEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCCC(C)(C)C#N ZINC000353569822 529886110 /nfs/dbraw/zinc/88/61/10/529886110.db2.gz GLWFOZPUHWOAFM-UHFFFAOYSA-N 2 2 291.439 3.363 20 30 CGEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCCC(C)(C)C#N ZINC000353569822 529886111 /nfs/dbraw/zinc/88/61/11/529886111.db2.gz GLWFOZPUHWOAFM-UHFFFAOYSA-N 2 2 291.439 3.363 20 30 CGEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000624077766 349965404 /nfs/dbraw/zinc/96/54/04/349965404.db2.gz AMQAAIFGNBDHSK-ZBFHGGJFSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000624077766 349965406 /nfs/dbraw/zinc/96/54/06/349965406.db2.gz AMQAAIFGNBDHSK-ZBFHGGJFSA-N 2 2 250.430 3.338 20 30 CGEDLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H]1C ZINC000593696009 347104694 /nfs/dbraw/zinc/10/46/94/347104694.db2.gz YFPOZKMQAWEBSA-SPYBWZPUSA-N 2 2 297.446 3.157 20 30 CGEDLP CC[C@H](C)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693351 347104847 /nfs/dbraw/zinc/10/48/47/347104847.db2.gz VUPIBYFOJOVZGU-HNNXBMFYSA-N 2 2 285.435 3.158 20 30 CGEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C#N ZINC000599331082 347736187 /nfs/dbraw/zinc/73/61/87/347736187.db2.gz GHOPNCMFRGTQBH-QAPCUYQASA-N 2 2 294.402 3.146 20 30 CGEDLP C[C@H](CCC#N)C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000602526908 347976017 /nfs/dbraw/zinc/97/60/17/347976017.db2.gz GUGIULVAOKEEBC-CYBMUJFWSA-N 2 2 270.380 3.025 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000602571183 347985185 /nfs/dbraw/zinc/98/51/85/347985185.db2.gz YMJNVJPXZWBSSD-JVDULTGUSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000602571183 347985190 /nfs/dbraw/zinc/98/51/90/347985190.db2.gz YMJNVJPXZWBSSD-JVDULTGUSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H](CCC#N)C[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000602663444 348003569 /nfs/dbraw/zinc/00/35/69/348003569.db2.gz AKUWGIUYWFIBEI-HNNXBMFYSA-N 2 2 289.423 3.116 20 30 CGEDLP C[C@@H](CCC#N)C[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC000602663444 348003571 /nfs/dbraw/zinc/00/35/71/348003571.db2.gz AKUWGIUYWFIBEI-HNNXBMFYSA-N 2 2 289.423 3.116 20 30 CGEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602543367 347979118 /nfs/dbraw/zinc/97/91/18/347979118.db2.gz CBLWLMCXWFOBEY-NHFHULPWSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602543367 347979121 /nfs/dbraw/zinc/97/91/21/347979121.db2.gz CBLWLMCXWFOBEY-NHFHULPWSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000602562680 347983165 /nfs/dbraw/zinc/98/31/65/347983165.db2.gz XWTQBSUAGFHXSU-SJLPKXTDSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000602562680 347983166 /nfs/dbraw/zinc/98/31/66/347983166.db2.gz XWTQBSUAGFHXSU-SJLPKXTDSA-N 2 2 285.435 3.180 20 30 CGEDLP N#CCC1(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000602803957 348031181 /nfs/dbraw/zinc/03/11/81/348031181.db2.gz HKURHCCKKZTUFJ-UHFFFAOYSA-N 2 2 286.423 3.069 20 30 CGEDLP Cc1cc(C#N)ccc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602949237 348046787 /nfs/dbraw/zinc/04/67/87/348046787.db2.gz GLVBTIOKOVQGAI-UHFFFAOYSA-N 2 2 297.446 3.317 20 30 CGEDLP CCC1([NH+](C)C)CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000602967740 348047754 /nfs/dbraw/zinc/04/77/54/348047754.db2.gz PSEAUUGAPIKUDI-OAHLLOKOSA-N 2 2 285.435 3.425 20 30 CGEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188930 349996874 /nfs/dbraw/zinc/99/68/74/349996874.db2.gz MGCFYVOUXXIIBM-ZBFHGGJFSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188930 349996879 /nfs/dbraw/zinc/99/68/79/349996879.db2.gz MGCFYVOUXXIIBM-ZBFHGGJFSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CC[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000628406871 350530006 /nfs/dbraw/zinc/53/00/06/350530006.db2.gz SPEYROGKPKOFEJ-ZDUSSCGKSA-N 2 2 273.405 3.332 20 30 CGEDLP C=CC[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000628406871 350530012 /nfs/dbraw/zinc/53/00/12/350530012.db2.gz SPEYROGKPKOFEJ-ZDUSSCGKSA-N 2 2 273.405 3.332 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(CC)o2)CC1 ZINC000177914331 189079085 /nfs/dbraw/zinc/07/90/85/189079085.db2.gz XUHLZNZXDGSMAT-ZDUSSCGKSA-N 2 2 262.397 3.143 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000177911924 189079139 /nfs/dbraw/zinc/07/91/39/189079139.db2.gz OUTMYQCILNAWJS-CYBMUJFWSA-N 2 2 262.372 3.127 20 30 CGEDLP CCC(CC)C[N@H+](CCC#N)CC[C@@H]1CCC[NH+]1C ZINC000124935057 370929190 /nfs/dbraw/zinc/92/91/90/370929190.db2.gz QNPFJQSIMXLHBM-INIZCTEOSA-N 2 2 265.445 3.123 20 30 CGEDLP CCC(CC)C[N@@H+](CCC#N)CC[C@@H]1CCC[NH+]1C ZINC000124935057 370929196 /nfs/dbraw/zinc/92/91/96/370929196.db2.gz QNPFJQSIMXLHBM-INIZCTEOSA-N 2 2 265.445 3.123 20 30 CGEDLP CCC(CC)C[NH+](CCC#N)CC[C@@H]1CCC[N@@H+]1C ZINC000124935057 370929200 /nfs/dbraw/zinc/92/92/00/370929200.db2.gz QNPFJQSIMXLHBM-INIZCTEOSA-N 2 2 265.445 3.123 20 30 CGEDLP CCC(CC)C[NH+](CCC#N)CC[C@@H]1CCC[N@H+]1C ZINC000124935057 370929202 /nfs/dbraw/zinc/92/92/02/370929202.db2.gz QNPFJQSIMXLHBM-INIZCTEOSA-N 2 2 265.445 3.123 20 30 CGEDLP C[NH+](C)[C@@H](C[NH2+]CC(C)(C)CCC#N)c1ccccc1 ZINC000135128685 371392718 /nfs/dbraw/zinc/39/27/18/371392718.db2.gz HRRGJQLAIZFMLQ-INIZCTEOSA-N 2 2 273.424 3.209 20 30 CGEDLP CC1(C)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000287085210 371601169 /nfs/dbraw/zinc/60/11/69/371601169.db2.gz OZQASHQEBLQSNW-SFHVURJKSA-N 2 2 297.446 3.301 20 30 CGEDLP CC1(C)C[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000344284127 217132686 /nfs/dbraw/zinc/13/26/86/217132686.db2.gz BYEQECXMUCGUNP-KRWDZBQOSA-N 2 2 297.446 3.158 20 30 CGEDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cc2Cl)CC1 ZINC000162891912 372431667 /nfs/dbraw/zinc/43/16/67/372431667.db2.gz JGYMZFCNSWSKGO-UHFFFAOYSA-N 2 2 291.826 3.128 20 30 CGEDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cc2Cl)CC1 ZINC000162891912 372431673 /nfs/dbraw/zinc/43/16/73/372431673.db2.gz JGYMZFCNSWSKGO-UHFFFAOYSA-N 2 2 291.826 3.128 20 30 CGEDLP C=CCC[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000439090982 372974911 /nfs/dbraw/zinc/97/49/11/372974911.db2.gz MFDRVJSCSFPDDJ-SFHVURJKSA-N 2 2 272.436 3.453 20 30 CGEDLP C=CCC[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1CC1 ZINC000439090982 372974915 /nfs/dbraw/zinc/97/49/15/372974915.db2.gz MFDRVJSCSFPDDJ-SFHVURJKSA-N 2 2 272.436 3.453 20 30 CGEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000446978192 373389078 /nfs/dbraw/zinc/38/90/78/373389078.db2.gz VPCJKURNGXUJTH-HOCLYGCPSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000446978192 373389087 /nfs/dbraw/zinc/38/90/87/373389087.db2.gz VPCJKURNGXUJTH-HOCLYGCPSA-N 2 2 250.430 3.338 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000447590235 373459928 /nfs/dbraw/zinc/45/99/28/373459928.db2.gz AZLIPGLEWFSLJA-IAGOWNOFSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CC1 ZINC000447590235 373459936 /nfs/dbraw/zinc/45/99/36/373459936.db2.gz AZLIPGLEWFSLJA-IAGOWNOFSA-N 2 2 262.441 3.338 20 30 CGEDLP C[NH+](C)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)Cc1ccccc1 ZINC000449062267 373658869 /nfs/dbraw/zinc/65/88/69/373658869.db2.gz KVSSCVFXBRYSHU-JLAWEPINSA-N 2 2 299.462 3.221 20 30 CGEDLP CC[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449482955 373772226 /nfs/dbraw/zinc/77/22/26/373772226.db2.gz FDSHLMXODNBQSY-MSOLQXFVSA-N 2 2 297.446 3.158 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC(C)C)C2(C)C)CC1 ZINC000181716514 374160141 /nfs/dbraw/zinc/16/01/41/374160141.db2.gz FQLBYFNNEBNOLX-IAGOWNOFSA-N 2 2 294.483 3.066 20 30 CGEDLP C=CCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309850774 374199121 /nfs/dbraw/zinc/19/91/21/374199121.db2.gz AIEOIFOFBDWLSF-DOTOQJQBSA-N 2 2 258.409 3.205 20 30 CGEDLP C=CCCC[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309850774 374199127 /nfs/dbraw/zinc/19/91/27/374199127.db2.gz AIEOIFOFBDWLSF-DOTOQJQBSA-N 2 2 258.409 3.205 20 30 CGEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129634996 296225746 /nfs/dbraw/zinc/22/57/46/296225746.db2.gz LVRZUHLPYWLYQA-VKJFTORMSA-N 2 2 294.402 3.399 20 30 CGEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129634996 296225749 /nfs/dbraw/zinc/22/57/49/296225749.db2.gz LVRZUHLPYWLYQA-VKJFTORMSA-N 2 2 294.402 3.399 20 30 CGEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245597798 376865525 /nfs/dbraw/zinc/86/55/25/376865525.db2.gz LVRZUHLPYWLYQA-RVKKMQEKSA-N 2 2 294.402 3.399 20 30 CGEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245597798 376865528 /nfs/dbraw/zinc/86/55/28/376865528.db2.gz LVRZUHLPYWLYQA-RVKKMQEKSA-N 2 2 294.402 3.399 20 30 CGEDLP C=C(C)COCC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000246290465 377004193 /nfs/dbraw/zinc/00/41/93/377004193.db2.gz AUQSQOZVVCQNDP-SJLPKXTDSA-N 2 2 288.435 3.004 20 30 CGEDLP C=C(C)COCC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000246290465 377004197 /nfs/dbraw/zinc/00/41/97/377004197.db2.gz AUQSQOZVVCQNDP-SJLPKXTDSA-N 2 2 288.435 3.004 20 30 CGEDLP C[C@H]1CC[N@H+](CCCC(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000246712037 377074729 /nfs/dbraw/zinc/07/47/29/377074729.db2.gz XZBFRKTXTFMZKG-LSDHHAIUSA-N 2 2 274.412 3.096 20 30 CGEDLP C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@H]1n1cc[nH+]c1 ZINC000246712037 377074735 /nfs/dbraw/zinc/07/47/35/377074735.db2.gz XZBFRKTXTFMZKG-LSDHHAIUSA-N 2 2 274.412 3.096 20 30 CGEDLP C=CCOCCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000348044590 378764207 /nfs/dbraw/zinc/76/42/07/378764207.db2.gz HHKLIFBNZOTBBW-OAHLLOKOSA-N 2 2 285.391 3.116 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H](C)[C@@H]1CC1(F)F)C(C)C ZINC000638358066 378775652 /nfs/dbraw/zinc/77/56/52/378775652.db2.gz YSAMMIMIUUAOTR-QLFBSQMISA-N 2 2 286.410 3.318 20 30 CGEDLP CC(C)=CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000276869270 379010290 /nfs/dbraw/zinc/01/02/90/379010290.db2.gz JXLZCVDWKYEBOK-UHFFFAOYSA-N 2 2 297.446 3.469 20 30 CGEDLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353279057 380199221 /nfs/dbraw/zinc/19/92/21/380199221.db2.gz XXCKFVFKDNHUOS-SFHVURJKSA-N 2 2 277.371 3.081 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3C)CC1 ZINC000361219846 381662008 /nfs/dbraw/zinc/66/20/08/381662008.db2.gz HDHWWSSEQQYORR-SFHVURJKSA-N 2 2 270.420 3.222 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364660 392707884 /nfs/dbraw/zinc/70/78/84/392707884.db2.gz HTZIRJFXCLRVQE-DZGCQCFKSA-N 2 2 271.408 3.376 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348833032 393132199 /nfs/dbraw/zinc/13/21/99/393132199.db2.gz LJZVXLXSQMYUIY-UONOGXRCSA-N 2 2 270.380 3.339 20 30 CGEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000360838607 393596079 /nfs/dbraw/zinc/59/60/79/393596079.db2.gz UVJWKUAACFLZFQ-IBGZPJMESA-N 2 2 297.446 3.401 20 30 CGEDLP C=C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000675933594 543375637 /nfs/dbraw/zinc/37/56/37/543375637.db2.gz HZEYZQGEEFOOGN-ZDUSSCGKSA-N 2 2 278.827 3.469 20 30 CGEDLP Cc1cc[nH+]cc1CCC[NH+]1CCC(CCC#N)CC1 ZINC000575124725 335069718 /nfs/dbraw/zinc/06/97/18/335069718.db2.gz CPPNCRTWDXOQOV-UHFFFAOYSA-N 2 2 271.408 3.338 20 30 CGEDLP C#Cc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000368019689 267135044 /nfs/dbraw/zinc/13/50/44/267135044.db2.gz SSUKRCHKTKTHTD-UHFFFAOYSA-N 2 2 287.366 3.143 20 30 CGEDLP N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000185754657 327844447 /nfs/dbraw/zinc/84/44/47/327844447.db2.gz GQYANUQUANTYLV-UHOSZYNNSA-N 2 2 297.446 3.495 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185885483 327849877 /nfs/dbraw/zinc/84/98/77/327849877.db2.gz OCDAJCALSDQWOH-CABCVRRESA-N 2 2 282.391 3.017 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H](C)C1CCOCC1)C(C)C ZINC000152074744 328056669 /nfs/dbraw/zinc/05/66/69/328056669.db2.gz NKSYUZXPTOQOPM-SJLPKXTDSA-N 2 2 294.483 3.090 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000449126103 330900539 /nfs/dbraw/zinc/90/05/39/330900539.db2.gz UMJRNDKKOVZOJM-IJEWVQPXSA-N 2 2 250.430 3.051 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000449127088 330900626 /nfs/dbraw/zinc/90/06/26/330900626.db2.gz WCCAWDGRGJWLOU-BFYDXBDKSA-N 2 2 264.457 3.441 20 30 CGEDLP C[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)C[N@H+](Cc2ccccc2)C1 ZINC000459684338 331294352 /nfs/dbraw/zinc/29/43/52/331294352.db2.gz CDJOORVUYJAQLJ-WMZOPIPTSA-N 2 2 299.462 3.426 20 30 CGEDLP C[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)C[N@@H+](Cc2ccccc2)C1 ZINC000459684338 331294353 /nfs/dbraw/zinc/29/43/53/331294353.db2.gz CDJOORVUYJAQLJ-WMZOPIPTSA-N 2 2 299.462 3.426 20 30 CGEDLP CC(C)(CC#N)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459733403 331296696 /nfs/dbraw/zinc/29/66/96/331296696.db2.gz PYNXPXSGNLROKN-KRWDZBQOSA-N 2 2 285.435 3.180 20 30 CGEDLP CC(C)(CC#N)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459733403 331296697 /nfs/dbraw/zinc/29/66/97/331296697.db2.gz PYNXPXSGNLROKN-KRWDZBQOSA-N 2 2 285.435 3.180 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CCC(C)C)C2CC2)CC1 ZINC000549627337 334200323 /nfs/dbraw/zinc/20/03/23/334200323.db2.gz ZLZGMKSGCIHJQJ-QGZVFWFLSA-N 2 2 264.457 3.441 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)CCCC)CC1 ZINC000565444343 334564251 /nfs/dbraw/zinc/56/42/51/334564251.db2.gz LRIRWRGHEPOHAG-CABCVRRESA-N 2 2 252.446 3.441 20 30 CGEDLP N#C[C@H]1CCC[C@@H]([NH2+]CCCc2[nH]c3ccccc3[nH+]2)C1 ZINC000192741508 534748348 /nfs/dbraw/zinc/74/83/48/534748348.db2.gz JBMLFHOMCIVVNL-UONOGXRCSA-N 2 2 282.391 3.167 20 30 CGEDLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cccc(C#N)c1 ZINC000902759291 621428275 /nfs/dbraw/zinc/42/82/75/621428275.db2.gz TXFZOLKNLQYENE-QGZVFWFLSA-N 2 2 282.391 3.276 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000815651948 631814270 /nfs/dbraw/zinc/81/42/70/631814270.db2.gz JQNABLHLAGVMAG-QGZVFWFLSA-N 2 2 294.389 3.207 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1cc(F)ccc1F)C(C)C ZINC000815651948 631814272 /nfs/dbraw/zinc/81/42/72/631814272.db2.gz JQNABLHLAGVMAG-QGZVFWFLSA-N 2 2 294.389 3.207 20 30 CGEDLP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000817955585 632250189 /nfs/dbraw/zinc/25/01/89/632250189.db2.gz ZLXBYIISTFNQTH-HNAYVOBHSA-N 2 2 294.398 3.049 20 30 CGEDLP C=CCC[C@@H](Cc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000883165203 636561030 /nfs/dbraw/zinc/56/10/30/636561030.db2.gz YOCMNIIYJUBISN-SFHVURJKSA-N 2 2 283.419 3.440 20 30 CGEDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H](C)CC(C)(C)C#N ZINC000926715202 638802476 /nfs/dbraw/zinc/80/24/76/638802476.db2.gz SDOQZIROEOKKJW-HUUCEWRRSA-N 2 2 265.445 3.025 20 30 CGEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(C#N)c2)CC[N@@H+]1C ZINC000929783699 638951370 /nfs/dbraw/zinc/95/13/70/638951370.db2.gz YPSQOIYJVDUMSL-WBMJQRKESA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Cl)cc(C#N)c2)CC[N@H+]1C ZINC000929783699 638951371 /nfs/dbraw/zinc/95/13/71/638951371.db2.gz YPSQOIYJVDUMSL-WBMJQRKESA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)CC[NH+]1C ZINC000929783699 638951373 /nfs/dbraw/zinc/95/13/73/638951373.db2.gz YPSQOIYJVDUMSL-WBMJQRKESA-N 2 2 291.826 3.126 20 30 CGEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)CC[NH+]1C ZINC000929783699 638951374 /nfs/dbraw/zinc/95/13/74/638951374.db2.gz YPSQOIYJVDUMSL-WBMJQRKESA-N 2 2 291.826 3.126 20 30 CGEDLP C[NH+](C)CCC(C)(C)Nc1[nH+]ccc2ccc(C#N)cc21 ZINC001158757920 805998542 /nfs/dbraw/zinc/99/85/42/805998542.db2.gz SHYVOTVUXKUVEJ-UHFFFAOYSA-N 2 2 282.391 3.249 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@H+](CC)CCn1cc[nH+]c1 ZINC001253241811 806192788 /nfs/dbraw/zinc/19/27/88/806192788.db2.gz DPFJSCJHXHXGPZ-KRWDZBQOSA-N 2 2 293.455 3.093 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001253241811 806192794 /nfs/dbraw/zinc/19/27/94/806192794.db2.gz DPFJSCJHXHXGPZ-KRWDZBQOSA-N 2 2 293.455 3.093 20 30 CGEDLP C=CC[C@@H]([NH2+][C@@H]1CC2CC[NH+](CC2)C1)c1ccccc1 ZINC001254852153 806498978 /nfs/dbraw/zinc/49/89/78/806498978.db2.gz QVMRHEAEJCOIGY-QZTJIDSGSA-N 2 2 270.420 3.378 20 30 CGEDLP C[C@@]12C[NH+](CCCC#N)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000705687972 799952320 /nfs/dbraw/zinc/95/23/20/799952320.db2.gz SKKHBHZOLUQQKQ-OALUTQOASA-N 2 2 297.446 3.134 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001245976481 804092391 /nfs/dbraw/zinc/09/23/91/804092391.db2.gz TZCWERYOHJVHQH-ROUUACIJSA-N 2 2 292.467 3.388 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246032084 804103149 /nfs/dbraw/zinc/10/31/49/804103149.db2.gz XVXSTYSFIQXJDB-OKZBNKHCSA-N 2 2 296.499 3.172 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246032084 804103154 /nfs/dbraw/zinc/10/31/54/804103154.db2.gz XVXSTYSFIQXJDB-OKZBNKHCSA-N 2 2 296.499 3.172 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001246069716 804108794 /nfs/dbraw/zinc/10/87/94/804108794.db2.gz ZDUYDLIYEUEVDQ-ROUUACIJSA-N 2 2 294.483 3.090 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001246069716 804108795 /nfs/dbraw/zinc/10/87/95/804108795.db2.gz ZDUYDLIYEUEVDQ-ROUUACIJSA-N 2 2 294.483 3.090 20 30 CGEDLP CCCCCCC[C@@H](CC(C)C)[NH2+][C@@H]1C[NH2+]CC[C@H]1O ZINC001246088275 804120625 /nfs/dbraw/zinc/12/06/25/804120625.db2.gz SSAMGAVCIHWNLF-GVDBMIGSSA-N 2 2 284.488 3.074 20 30 CGEDLP CCCCCCCC[C@H](CC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246090707 804121996 /nfs/dbraw/zinc/12/19/96/804121996.db2.gz YMMVKKRATUFFIE-HOTGVXAUSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCCC[C@@H](CCC)[NH2+][C@@H]1COC[C@@H]1[NH3+] ZINC001246118699 804151116 /nfs/dbraw/zinc/15/11/16/804151116.db2.gz AKZCOCUDNBVCBK-OWCLPIDISA-N 2 2 270.461 3.221 20 30 CGEDLP CCCCCCC[C@@H](C)[NH2+][C@@]1(CC(=O)OCC)CC[NH2+]C1 ZINC001246133761 804159466 /nfs/dbraw/zinc/15/94/66/804159466.db2.gz VPWKMXRUWUDLKX-NVXWUHKLSA-N 2 2 298.471 3.010 20 30 CGEDLP CCCCCCC[C@H](CCC)[NH2+][C@@H]([NH3+])CCC[NH3+] ZINC001246300153 804265596 /nfs/dbraw/zinc/26/55/96/804265596.db2.gz LVPCQUQMORYFDJ-LSDHHAIUSA-N 3 2 257.466 3.129 20 30 CGEDLP CCCCCCC[C@H](C)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246335810 804290797 /nfs/dbraw/zinc/29/07/97/804290797.db2.gz ILHNCCXSOSHZPU-KBPBESRZSA-N 2 2 258.475 3.030 20 30 CGEDLP Cc1ccc(N(C2CC[NH2+]CC2)C2CCC(C#N)CC2)[nH+]c1 ZINC001256971213 807020638 /nfs/dbraw/zinc/02/06/38/807020638.db2.gz LQNBORJFQQOWAA-UHFFFAOYSA-N 2 2 298.434 3.031 20 30 CGEDLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC(C#N)CC1 ZINC001256971683 807019984 /nfs/dbraw/zinc/01/99/84/807019984.db2.gz LKBSXORNIYRNKT-UHFFFAOYSA-N 2 2 294.402 3.386 20 30 CGEDLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC(C#N)CC1 ZINC001256971683 807019993 /nfs/dbraw/zinc/01/99/93/807019993.db2.gz LKBSXORNIYRNKT-UHFFFAOYSA-N 2 2 294.402 3.386 20 30 CGEDLP C=C1C[C@@H]2CC(n3c(C)[nH+]c4c3CC[NH2+]CC4)C[C@H](C1)C2 ZINC001257892170 807242095 /nfs/dbraw/zinc/24/20/95/807242095.db2.gz UZNUVMDFSGBDEL-XYPWUTKMSA-N 2 2 285.435 3.187 20 30 CGEDLP N#CCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCCC1 ZINC001167981588 807289630 /nfs/dbraw/zinc/28/96/30/807289630.db2.gz BDTWTSYTJLXHOQ-ALOPSCKCSA-N 2 2 287.451 3.208 20 30 CGEDLP N#CCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCC1 ZINC001167981588 807289636 /nfs/dbraw/zinc/28/96/36/807289636.db2.gz BDTWTSYTJLXHOQ-ALOPSCKCSA-N 2 2 287.451 3.208 20 30 CGEDLP N#CCC[N@H+](C1CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001168381429 807399249 /nfs/dbraw/zinc/39/92/49/807399249.db2.gz WNPUCSPILWNPKN-UHFFFAOYSA-N 2 2 275.440 3.019 20 30 CGEDLP N#CCC[N@@H+](C1CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001168381429 807399257 /nfs/dbraw/zinc/39/92/57/807399257.db2.gz WNPUCSPILWNPKN-UHFFFAOYSA-N 2 2 275.440 3.019 20 30 CGEDLP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001258727658 807574793 /nfs/dbraw/zinc/57/47/93/807574793.db2.gz HJAIHRXQLYARKA-UHOSZYNNSA-N 2 2 299.462 3.190 20 30 CGEDLP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001258727658 807574796 /nfs/dbraw/zinc/57/47/96/807574796.db2.gz HJAIHRXQLYARKA-UHOSZYNNSA-N 2 2 299.462 3.190 20 30 CGEDLP C=CCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001258727658 807574799 /nfs/dbraw/zinc/57/47/99/807574799.db2.gz HJAIHRXQLYARKA-UHOSZYNNSA-N 2 2 299.462 3.190 20 30 CGEDLP C=CCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001258727658 807574803 /nfs/dbraw/zinc/57/48/03/807574803.db2.gz HJAIHRXQLYARKA-UHOSZYNNSA-N 2 2 299.462 3.190 20 30 CGEDLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]CC(C)(C)CCC#N ZINC001177476018 809799971 /nfs/dbraw/zinc/79/99/71/809799971.db2.gz VIXCWRYEASXXML-LSDHHAIUSA-N 2 2 265.445 3.026 20 30 CGEDLP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]CC(C)(C)CCC#N ZINC001177476018 809799972 /nfs/dbraw/zinc/79/99/72/809799972.db2.gz VIXCWRYEASXXML-LSDHHAIUSA-N 2 2 265.445 3.026 20 30 CGEDLP C#Cc1cc(Nc2cccc(C[NH+]3CCCCC3)c2)cc[nH+]1 ZINC001204086645 812545114 /nfs/dbraw/zinc/54/51/14/812545114.db2.gz BGVYXWSVXMAWTH-UHFFFAOYSA-N 2 2 291.398 3.214 20 30 CGEDLP C=CCCCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001209440672 814041555 /nfs/dbraw/zinc/04/15/55/814041555.db2.gz NSNWHXHNAZZNMQ-HZPDHXFCSA-N 2 2 250.430 3.149 20 30 CGEDLP C=CCCCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001209440672 814041561 /nfs/dbraw/zinc/04/15/61/814041561.db2.gz NSNWHXHNAZZNMQ-HZPDHXFCSA-N 2 2 250.430 3.149 20 30 CGEDLP C=CCCCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209440672 814041566 /nfs/dbraw/zinc/04/15/66/814041566.db2.gz NSNWHXHNAZZNMQ-HZPDHXFCSA-N 2 2 250.430 3.149 20 30 CGEDLP C=CCCCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001209440672 814041573 /nfs/dbraw/zinc/04/15/73/814041573.db2.gz NSNWHXHNAZZNMQ-HZPDHXFCSA-N 2 2 250.430 3.149 20 30 CGEDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232115463 818260599 /nfs/dbraw/zinc/26/05/99/818260599.db2.gz PYMJDJGMJPGBHC-UHFFFAOYSA-N 2 2 291.826 3.128 20 30 CGEDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232115463 818260605 /nfs/dbraw/zinc/26/06/05/818260605.db2.gz PYMJDJGMJPGBHC-UHFFFAOYSA-N 2 2 291.826 3.128 20 30 CGEDLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235525569 819115041 /nfs/dbraw/zinc/11/50/41/819115041.db2.gz ONFGTPHUNDYAHA-UHFFFAOYSA-N 2 2 297.446 3.203 20 30 CGEDLP CCc1cc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)ccc1C#N ZINC001238773140 820114742 /nfs/dbraw/zinc/11/47/42/820114742.db2.gz VDGFYYWKHUKNKK-UHFFFAOYSA-N 2 2 299.462 3.425 20 30 CGEDLP CCc1cc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)ccc1C#N ZINC001238773140 820114748 /nfs/dbraw/zinc/11/47/48/820114748.db2.gz VDGFYYWKHUKNKK-UHFFFAOYSA-N 2 2 299.462 3.425 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC(C)C)C[NH+](C)C)C1 ZINC001308971043 933217635 /nfs/dbraw/zinc/21/76/35/933217635.db2.gz PREAZRVOLVKDKH-PMPSAXMXSA-N 2 2 252.446 3.297 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001308975817 933218614 /nfs/dbraw/zinc/21/86/14/933218614.db2.gz ZCFIRFHEILLDCJ-HNNXBMFYSA-N 2 2 252.446 3.443 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001308975817 933218617 /nfs/dbraw/zinc/21/86/17/933218617.db2.gz ZCFIRFHEILLDCJ-HNNXBMFYSA-N 2 2 252.446 3.443 20 30 CGEDLP C=CCCCC[C@@H](C)[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC001308975818 933219044 /nfs/dbraw/zinc/21/90/44/933219044.db2.gz ZCFIRFHEILLDCJ-OAHLLOKOSA-N 2 2 252.446 3.443 20 30 CGEDLP C=CCCCC[C@@H](C)[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC001308975818 933219048 /nfs/dbraw/zinc/21/90/48/933219048.db2.gz ZCFIRFHEILLDCJ-OAHLLOKOSA-N 2 2 252.446 3.443 20 30 CGEDLP C#CCCCCCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001319952461 933965355 /nfs/dbraw/zinc/96/53/55/933965355.db2.gz MUACAWGMGXITJX-UHFFFAOYSA-N 2 2 296.374 3.098 20 30 CGEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000594723575 347213499 /nfs/dbraw/zinc/21/34/99/347213499.db2.gz LHXOHJAJTCMSJD-CJNGLKHVSA-N 2 2 271.408 3.082 20 30 CGEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(C#N)cc1 ZINC000594723575 347213502 /nfs/dbraw/zinc/21/35/02/347213502.db2.gz LHXOHJAJTCMSJD-CJNGLKHVSA-N 2 2 271.408 3.082 20 30 CGEDLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595096324 347283006 /nfs/dbraw/zinc/28/30/06/347283006.db2.gz JAGFYPMJMGUTNX-FUHWJXTLSA-N 2 2 283.419 3.010 20 30 CGEDLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595096324 347283009 /nfs/dbraw/zinc/28/30/09/347283009.db2.gz JAGFYPMJMGUTNX-FUHWJXTLSA-N 2 2 283.419 3.010 20 30 CGEDLP CC(C)[NH2+]C1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596993185 347525327 /nfs/dbraw/zinc/52/53/27/347525327.db2.gz KTXJJZZMPHAXJV-UHFFFAOYSA-N 2 2 297.446 3.204 20 30 CGEDLP CCc1ccc([C@H](C[NH2+]C[C@H](C)CCC#N)[NH+](C)C)cc1 ZINC000602505186 347972097 /nfs/dbraw/zinc/97/20/97/347972097.db2.gz SZKLGWWOMWZUPR-QAPCUYQASA-N 2 2 287.451 3.381 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+][C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000602510060 347972873 /nfs/dbraw/zinc/97/28/73/347972873.db2.gz QPLXWACPDCBKHQ-WMZOPIPTSA-N 2 2 285.435 3.353 20 30 CGEDLP C[C@H](CCC#N)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000602662380 348003596 /nfs/dbraw/zinc/00/35/96/348003596.db2.gz MTOGCFXIOLSZIB-MRXNPFEDSA-N 2 2 288.439 3.315 20 30 CGEDLP C[C@H]1[C@H]([NH2+]C2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000602664710 348004417 /nfs/dbraw/zinc/00/44/17/348004417.db2.gz QFNKBNFRTSPGLQ-NHFHULPWSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@H]1[C@H]([NH2+]C2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000602664710 348004422 /nfs/dbraw/zinc/00/44/22/348004422.db2.gz QFNKBNFRTSPGLQ-NHFHULPWSA-N 2 2 297.446 3.321 20 30 CGEDLP N#CC1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000602721176 348017103 /nfs/dbraw/zinc/01/71/03/348017103.db2.gz PGTOTVLSVHNIOK-DQPZFDDXSA-N 2 2 275.440 3.065 20 30 CGEDLP N#CC1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000602721176 348017106 /nfs/dbraw/zinc/01/71/06/348017106.db2.gz PGTOTVLSVHNIOK-DQPZFDDXSA-N 2 2 275.440 3.065 20 30 CGEDLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000602966882 348047682 /nfs/dbraw/zinc/04/76/82/348047682.db2.gz ULZBXCJKUQIRFX-UHFFFAOYSA-N 2 2 285.435 3.173 20 30 CGEDLP N#Cc1ccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)s1 ZINC000176956241 189017133 /nfs/dbraw/zinc/01/71/33/189017133.db2.gz DTYIYNZMZBHBTK-UHFFFAOYSA-N 2 2 296.399 3.218 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000177907747 189078500 /nfs/dbraw/zinc/07/85/00/189078500.db2.gz HGLGUJDCAAKWCR-KBXCAEBGSA-N 2 2 270.420 3.160 20 30 CGEDLP C[C@H]1CC[N@H+](CC(C)(C)CCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000091961224 370083468 /nfs/dbraw/zinc/08/34/68/370083468.db2.gz HGPOHGRJFQVARZ-GJZGRUSLSA-N 2 2 274.412 3.096 20 30 CGEDLP C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@@H]1n1cc[nH+]c1 ZINC000091961224 370083473 /nfs/dbraw/zinc/08/34/73/370083473.db2.gz HGPOHGRJFQVARZ-GJZGRUSLSA-N 2 2 274.412 3.096 20 30 CGEDLP C=CCC(C)(C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000293868295 372505975 /nfs/dbraw/zinc/50/59/75/372505975.db2.gz ZNAKKFFTINWYQV-UHFFFAOYSA-N 2 2 273.424 3.242 20 30 CGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCCCC3)CC2)cc1 ZINC000181396142 374118050 /nfs/dbraw/zinc/11/80/50/374118050.db2.gz DZVFLNZMOAFMJW-UHFFFAOYSA-N 2 2 297.446 3.445 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000335175863 375202182 /nfs/dbraw/zinc/20/21/82/375202182.db2.gz QCCPVRFXVUCGPC-CYBMUJFWSA-N 2 2 280.375 3.222 20 30 CGEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)c(F)c1 ZINC000192043484 375692752 /nfs/dbraw/zinc/69/27/52/375692752.db2.gz FJSOHMMQHNPBHO-MRXNPFEDSA-N 2 2 289.398 3.004 20 30 CGEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)c(F)c1 ZINC000192043484 375692760 /nfs/dbraw/zinc/69/27/60/375692760.db2.gz FJSOHMMQHNPBHO-MRXNPFEDSA-N 2 2 289.398 3.004 20 30 CGEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)c(F)c1 ZINC000192043484 375692767 /nfs/dbraw/zinc/69/27/67/375692767.db2.gz FJSOHMMQHNPBHO-MRXNPFEDSA-N 2 2 289.398 3.004 20 30 CGEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C#N)c(F)c1 ZINC000192043484 375692773 /nfs/dbraw/zinc/69/27/73/375692773.db2.gz FJSOHMMQHNPBHO-MRXNPFEDSA-N 2 2 289.398 3.004 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000515979247 375816204 /nfs/dbraw/zinc/81/62/04/375816204.db2.gz WXTQGSILIXSGAY-LZWOXQAQSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000515979247 375816207 /nfs/dbraw/zinc/81/62/07/375816207.db2.gz WXTQGSILIXSGAY-LZWOXQAQSA-N 2 2 250.430 3.194 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000194886319 376055937 /nfs/dbraw/zinc/05/59/37/376055937.db2.gz QLVLQAQYLUFOKT-CQSZACIVSA-N 2 2 274.408 3.083 20 30 CGEDLP C=CC[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1F ZINC000270553811 378368760 /nfs/dbraw/zinc/36/87/60/378368760.db2.gz CCMZPYQZTFRLRY-UHFFFAOYSA-N 2 2 273.355 3.019 20 30 CGEDLP C=CC[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1F ZINC000270553811 378368765 /nfs/dbraw/zinc/36/87/65/378368765.db2.gz CCMZPYQZTFRLRY-UHFFFAOYSA-N 2 2 273.355 3.019 20 30 CGEDLP C[C@H](C#N)C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346229531 378513812 /nfs/dbraw/zinc/51/38/12/378513812.db2.gz VJWIDTVYCHKBJD-GFCCVEGCSA-N 2 2 286.404 3.058 20 30 CGEDLP C[C@H](C#N)C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346229531 378513813 /nfs/dbraw/zinc/51/38/13/378513813.db2.gz VJWIDTVYCHKBJD-GFCCVEGCSA-N 2 2 286.404 3.058 20 30 CGEDLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC1(C#N)CC1 ZINC000346545710 378614176 /nfs/dbraw/zinc/61/41/76/378614176.db2.gz ZFMMLDQSTWHRAM-HOTGVXAUSA-N 2 2 297.446 3.036 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H](C)[C@H]1CC1(F)F)C(C)C ZINC000638358068 378776334 /nfs/dbraw/zinc/77/63/34/378776334.db2.gz YSAMMIMIUUAOTR-RRFJBIMHSA-N 2 2 286.410 3.318 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347088708 218117166 /nfs/dbraw/zinc/11/71/66/218117166.db2.gz ODYWADLISQAGBM-RDTXWAMCSA-N 2 2 293.370 3.168 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347088708 218117171 /nfs/dbraw/zinc/11/71/71/218117171.db2.gz ODYWADLISQAGBM-RDTXWAMCSA-N 2 2 293.370 3.168 20 30 CGEDLP C[NH+](C)[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000277362983 379140750 /nfs/dbraw/zinc/14/07/50/379140750.db2.gz XDTVGFOGRKYKMC-KRWDZBQOSA-N 2 2 290.838 3.108 20 30 CGEDLP C[NH+](C)[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000277362983 379140761 /nfs/dbraw/zinc/14/07/61/379140761.db2.gz XDTVGFOGRKYKMC-KRWDZBQOSA-N 2 2 290.838 3.108 20 30 CGEDLP C[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C[C@@H]1n1cc[nH+]c1 ZINC000375405564 379497268 /nfs/dbraw/zinc/49/72/68/379497268.db2.gz PUBKJWAYFJNUHH-HOTGVXAUSA-N 2 2 288.439 3.486 20 30 CGEDLP C[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1n1cc[nH+]c1 ZINC000375405564 379497270 /nfs/dbraw/zinc/49/72/70/379497270.db2.gz PUBKJWAYFJNUHH-HOTGVXAUSA-N 2 2 288.439 3.486 20 30 CGEDLP CC[N@H+](CCC#N)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411305583 380137950 /nfs/dbraw/zinc/13/79/50/380137950.db2.gz KHXUZDFGSADVGG-UHFFFAOYSA-N 2 2 285.435 3.408 20 30 CGEDLP CC[N@@H+](CCC#N)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411305583 380137957 /nfs/dbraw/zinc/13/79/57/380137957.db2.gz KHXUZDFGSADVGG-UHFFFAOYSA-N 2 2 285.435 3.408 20 30 CGEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000354221984 380367288 /nfs/dbraw/zinc/36/72/88/380367288.db2.gz IFAQURXDFWXAAM-DYVFJYSZSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000354221984 380367296 /nfs/dbraw/zinc/36/72/96/380367296.db2.gz IFAQURXDFWXAAM-DYVFJYSZSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000354221984 380367305 /nfs/dbraw/zinc/36/73/05/380367305.db2.gz IFAQURXDFWXAAM-DYVFJYSZSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000354221984 380367312 /nfs/dbraw/zinc/36/73/12/380367312.db2.gz IFAQURXDFWXAAM-DYVFJYSZSA-N 2 2 289.398 3.002 20 30 CGEDLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(C#N)c(F)c1 ZINC000423400239 533437913 /nfs/dbraw/zinc/43/79/13/533437913.db2.gz WXLUELQWBHLPSS-MLGOLLRUSA-N 2 2 289.398 3.126 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000284155823 392310621 /nfs/dbraw/zinc/31/06/21/392310621.db2.gz POBCYDRMZWESQK-QGZVFWFLSA-N 2 2 286.419 3.010 20 30 CGEDLP N#Cc1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000534124539 392997491 /nfs/dbraw/zinc/99/74/91/392997491.db2.gz VVBBSPMFRPYXAM-UHFFFAOYSA-N 2 2 292.386 3.030 20 30 CGEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1Cl ZINC000666768244 542814522 /nfs/dbraw/zinc/81/45/22/542814522.db2.gz FDDIAFATHJADTC-CQSZACIVSA-N 2 2 294.826 3.137 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000657527648 419298621 /nfs/dbraw/zinc/29/86/21/419298621.db2.gz XCJALLUBFGVJSA-ILXRZTDVSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000657527648 419298623 /nfs/dbraw/zinc/29/86/23/419298623.db2.gz XCJALLUBFGVJSA-ILXRZTDVSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC000658092264 419566547 /nfs/dbraw/zinc/56/65/47/419566547.db2.gz PCGNXRUJCYBUHU-CABCVRRESA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000658092264 419566549 /nfs/dbraw/zinc/56/65/49/419566549.db2.gz PCGNXRUJCYBUHU-CABCVRRESA-N 2 2 250.430 3.194 20 30 CGEDLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCCC#N ZINC000118974367 262139084 /nfs/dbraw/zinc/13/90/84/262139084.db2.gz MWHQUBPLFPXBAQ-UHFFFAOYSA-N 2 2 273.424 3.180 20 30 CGEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCCC#N ZINC000118974367 262139086 /nfs/dbraw/zinc/13/90/86/262139086.db2.gz MWHQUBPLFPXBAQ-UHFFFAOYSA-N 2 2 273.424 3.180 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488441805 262322939 /nfs/dbraw/zinc/32/29/39/262322939.db2.gz SPFNIQJPKADWME-GJZGRUSLSA-N 2 2 282.497 3.147 20 30 CGEDLP C=CCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000120269424 263285181 /nfs/dbraw/zinc/28/51/81/263285181.db2.gz YDSONUMCWUHZEW-LJQANCHMSA-N 2 2 299.462 3.380 20 30 CGEDLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000528015893 270151400 /nfs/dbraw/zinc/15/14/00/270151400.db2.gz ZPRDESULZVZJIL-RDTXWAMCSA-N 2 2 283.419 3.226 20 30 CGEDLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000528015893 270151401 /nfs/dbraw/zinc/15/14/01/270151401.db2.gz ZPRDESULZVZJIL-RDTXWAMCSA-N 2 2 283.419 3.226 20 30 CGEDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000528015888 270151548 /nfs/dbraw/zinc/15/15/48/270151548.db2.gz ZPRDESULZVZJIL-KBXCAEBGSA-N 2 2 283.419 3.226 20 30 CGEDLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000528015888 270151549 /nfs/dbraw/zinc/15/15/49/270151549.db2.gz ZPRDESULZVZJIL-KBXCAEBGSA-N 2 2 283.419 3.226 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000368513912 267178951 /nfs/dbraw/zinc/17/89/51/267178951.db2.gz JBVUJTKXIMPJNU-QFBILLFUSA-N 2 2 299.462 3.348 20 30 CGEDLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185886156 327849817 /nfs/dbraw/zinc/84/98/17/327849817.db2.gz ZXLADAXQYCEQRO-HUUCEWRRSA-N 2 2 296.418 3.178 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000184084509 329255706 /nfs/dbraw/zinc/25/57/06/329255706.db2.gz JWDUFEZQCKTCAH-UXLLHSPISA-N 2 2 277.456 3.311 20 30 CGEDLP C=CCOc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422910908 330160095 /nfs/dbraw/zinc/16/00/95/330160095.db2.gz RUWZQCBPGPKIIV-QZTJIDSGSA-N 2 2 294.398 3.486 20 30 CGEDLP C=CCC[C@H](CC)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423445756 330202223 /nfs/dbraw/zinc/20/22/23/330202223.db2.gz YPJAAGFJRZEWCW-DOTOQJQBSA-N 2 2 258.409 3.208 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2c(F)cc(C)cc2F)CC1 ZINC000424148742 330295247 /nfs/dbraw/zinc/29/52/47/330295247.db2.gz UZCNKGJZVMIPEU-UHFFFAOYSA-N 2 2 280.362 3.013 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2C(C)C)CC1 ZINC000482639605 331841712 /nfs/dbraw/zinc/84/17/12/331841712.db2.gz DXLAYIPONHVUPS-DLBZAZTESA-N 2 2 264.457 3.441 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(C3CC3)s2)CC1 ZINC000134295726 334087265 /nfs/dbraw/zinc/08/72/65/334087265.db2.gz PDDHRMDHBNMYQN-UHFFFAOYSA-N 2 2 291.464 3.151 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000113338766 526602711 /nfs/dbraw/zinc/60/27/11/526602711.db2.gz COOAXMAZPMQDJX-UHFFFAOYSA-N 2 2 294.826 3.176 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000192746837 619121401 /nfs/dbraw/zinc/12/14/01/619121401.db2.gz VPVOBBOXDPZNOT-HZPDHXFCSA-N 2 2 280.375 3.044 20 30 CGEDLP C=C(Cl)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000839555788 626759691 /nfs/dbraw/zinc/75/96/91/626759691.db2.gz LNQPNLSAMQAIPA-HALDLXJZSA-N 2 2 292.854 3.485 20 30 CGEDLP C=C(Cl)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000839555788 626759692 /nfs/dbraw/zinc/75/96/92/626759692.db2.gz LNQPNLSAMQAIPA-HALDLXJZSA-N 2 2 292.854 3.485 20 30 CGEDLP C=C(Cl)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000773005622 627840695 /nfs/dbraw/zinc/84/06/95/627840695.db2.gz SJGWJDFYIKUNPR-UHFFFAOYSA-N 2 2 293.842 3.064 20 30 CGEDLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000925052199 638443347 /nfs/dbraw/zinc/44/33/47/638443347.db2.gz PHGCKMATQWCTNW-HUUCEWRRSA-N 2 2 265.445 3.169 20 30 CGEDLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000925052199 638443350 /nfs/dbraw/zinc/44/33/50/638443350.db2.gz PHGCKMATQWCTNW-HUUCEWRRSA-N 2 2 265.445 3.169 20 30 CGEDLP N#C[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000932155124 639278436 /nfs/dbraw/zinc/27/84/36/639278436.db2.gz WWOQXWQAVJOHDT-IBGZPJMESA-N 2 2 297.446 3.408 20 30 CGEDLP N#C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000932155124 639278443 /nfs/dbraw/zinc/27/84/43/639278443.db2.gz WWOQXWQAVJOHDT-IBGZPJMESA-N 2 2 297.446 3.408 20 30 CGEDLP C=CC[N@H+]1CCC[C@H]1CNc1[nH+]ccc2cc(OC)ccc21 ZINC001160953235 806328042 /nfs/dbraw/zinc/32/80/42/806328042.db2.gz YFGDEMPXMHEXPA-HNNXBMFYSA-N 2 2 297.402 3.306 20 30 CGEDLP C=CC[N@@H+]1CCC[C@H]1CNc1[nH+]ccc2cc(OC)ccc21 ZINC001160953235 806328049 /nfs/dbraw/zinc/32/80/49/806328049.db2.gz YFGDEMPXMHEXPA-HNNXBMFYSA-N 2 2 297.402 3.306 20 30 CGEDLP CC[C@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)[NH+]1CCCC1 ZINC000125825842 799003353 /nfs/dbraw/zinc/00/33/53/799003353.db2.gz PNMQOIBDXBAAFI-JLAWEPINSA-N 2 2 297.446 3.074 20 30 CGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000450750395 799625447 /nfs/dbraw/zinc/62/54/47/799625447.db2.gz AUYZGCAGEAYKFE-SJLPKXTDSA-N 2 2 297.446 3.180 20 30 CGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000450750395 799625451 /nfs/dbraw/zinc/62/54/51/799625451.db2.gz AUYZGCAGEAYKFE-SJLPKXTDSA-N 2 2 297.446 3.180 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[NH2+]CC[NH2+]CC ZINC001245991902 804094922 /nfs/dbraw/zinc/09/49/22/804094922.db2.gz IEEVGLBBGROVIJ-INIZCTEOSA-N 2 2 272.477 3.077 20 30 CGEDLP C=CCCCCCC[C@@H](O)C[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001245971577 804091148 /nfs/dbraw/zinc/09/11/48/804091148.db2.gz BBFOXZQOHQPNER-MSOLQXFVSA-N 2 2 290.451 3.164 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[NH2+]CC[NH2+]C(C)C ZINC001246007661 804098955 /nfs/dbraw/zinc/09/89/55/804098955.db2.gz FHWCYUSAXRODGS-KRWDZBQOSA-N 2 2 286.504 3.466 20 30 CGEDLP CCCCCCCC[C@H](CC)[NH2+][C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001246152261 804171185 /nfs/dbraw/zinc/17/11/85/804171185.db2.gz MGFIDGPZBBCDKQ-YVSFHVDLSA-N 2 2 282.472 3.235 20 30 CGEDLP CCCCCCC[C@H](CCC)[NH2+][C@H]1C[NH2+]C[C@@H]1OC ZINC001246237566 804230317 /nfs/dbraw/zinc/23/03/17/804230317.db2.gz AHJUZJRXSJKTFV-JYJNAYRXSA-N 2 2 270.461 3.092 20 30 CGEDLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001140027853 804354174 /nfs/dbraw/zinc/35/41/74/804354174.db2.gz DPRLZWZHGQJRQE-INIZCTEOSA-N 2 2 294.402 3.306 20 30 CGEDLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001140027853 804354183 /nfs/dbraw/zinc/35/41/83/804354183.db2.gz DPRLZWZHGQJRQE-INIZCTEOSA-N 2 2 294.402 3.306 20 30 CGEDLP CCCCCCC[C@H](CCC)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246551822 804402490 /nfs/dbraw/zinc/40/24/90/804402490.db2.gz RKWLIWAIVHJSQJ-IRXDYDNUSA-N 2 2 284.488 3.436 20 30 CGEDLP CCCCCCC[C@H](CCC)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246551822 804402493 /nfs/dbraw/zinc/40/24/93/804402493.db2.gz RKWLIWAIVHJSQJ-IRXDYDNUSA-N 2 2 284.488 3.436 20 30 CGEDLP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246610901 804444947 /nfs/dbraw/zinc/44/49/47/804444947.db2.gz CUXGODFKCCMQDB-QFBILLFUSA-N 2 2 297.446 3.097 20 30 CGEDLP C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246610901 804444952 /nfs/dbraw/zinc/44/49/52/804444952.db2.gz CUXGODFKCCMQDB-QFBILLFUSA-N 2 2 297.446 3.097 20 30 CGEDLP CCCCCCC[C@@H](C)[N@@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246649845 804476960 /nfs/dbraw/zinc/47/69/60/804476960.db2.gz QEDAYQBATMUZAV-IAGOWNOFSA-N 2 2 282.472 3.190 20 30 CGEDLP CCCCCCC[C@@H](C)[N@H+]1CCC[C@@]2(C[NH2+]CCO2)C1 ZINC001246649845 804476963 /nfs/dbraw/zinc/47/69/63/804476963.db2.gz QEDAYQBATMUZAV-IAGOWNOFSA-N 2 2 282.472 3.190 20 30 CGEDLP CCCCCCCCCC[C@H](C)[N@@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001246940953 804609997 /nfs/dbraw/zinc/60/99/97/804609997.db2.gz XCXSRMSRNMKGRK-YESZJQIVSA-N 2 2 284.488 3.300 20 30 CGEDLP CCCCCCCCCC[C@H](C)[N@H+]1C[C@@H]([NH3+])C[C@@H]1CO ZINC001246940953 804610001 /nfs/dbraw/zinc/61/00/01/804610001.db2.gz XCXSRMSRNMKGRK-YESZJQIVSA-N 2 2 284.488 3.300 20 30 CGEDLP C=CCC[C@@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001258734251 807580789 /nfs/dbraw/zinc/58/07/89/807580789.db2.gz VPVMIBFSXNBQHE-OAHLLOKOSA-N 2 2 273.424 3.303 20 30 CGEDLP C[NH+]1C(C)(C)CC([NH2+]CC2(C#N)CCCC2)CC1(C)C ZINC001171613496 808105021 /nfs/dbraw/zinc/10/50/21/808105021.db2.gz LUULOUDIYMQPNI-UHFFFAOYSA-N 2 2 277.456 3.311 20 30 CGEDLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](CCC#N)C1CCCC1)C2 ZINC001172120086 808184400 /nfs/dbraw/zinc/18/44/00/808184400.db2.gz CDUMUYAAQBLGRU-FVQHAEBGSA-N 2 2 275.440 3.160 20 30 CGEDLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+](CCC#N)C1CCCC1)C2 ZINC001172120086 808184402 /nfs/dbraw/zinc/18/44/02/808184402.db2.gz CDUMUYAAQBLGRU-FVQHAEBGSA-N 2 2 275.440 3.160 20 30 CGEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](CCC#N)C1CCCC1)C2 ZINC001172120086 808184404 /nfs/dbraw/zinc/18/44/04/808184404.db2.gz CDUMUYAAQBLGRU-FVQHAEBGSA-N 2 2 275.440 3.160 20 30 CGEDLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](CCC#N)C1CCCC1)C2 ZINC001172120086 808184406 /nfs/dbraw/zinc/18/44/06/808184406.db2.gz CDUMUYAAQBLGRU-FVQHAEBGSA-N 2 2 275.440 3.160 20 30 CGEDLP CCCCCCCC[N@H+](CC[NH3+])[C@H]1COC(C)(C)C1 ZINC001172278309 808212797 /nfs/dbraw/zinc/21/27/97/808212797.db2.gz RMTPYPWELYTRIZ-OAHLLOKOSA-N 2 2 270.461 3.175 20 30 CGEDLP CCCCCCCC[N@@H+](CC[NH3+])[C@H]1COC(C)(C)C1 ZINC001172278309 808212802 /nfs/dbraw/zinc/21/28/02/808212802.db2.gz RMTPYPWELYTRIZ-OAHLLOKOSA-N 2 2 270.461 3.175 20 30 CGEDLP C[C@@H](CCCC#N)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172481443 808343925 /nfs/dbraw/zinc/34/39/25/808343925.db2.gz UPJROFCRZKGUFC-AWEZNQCLSA-N 2 2 268.364 3.044 20 30 CGEDLP C=CCCC[N@@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001274964365 808895006 /nfs/dbraw/zinc/89/50/06/808895006.db2.gz KVVFKKZPHYVKRW-GOSISDBHSA-N 2 2 292.467 3.062 20 30 CGEDLP C=CCCC[N@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001274964365 808895013 /nfs/dbraw/zinc/89/50/13/808895013.db2.gz KVVFKKZPHYVKRW-GOSISDBHSA-N 2 2 292.467 3.062 20 30 CGEDLP C=CCCC[NH+]1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001274964365 808895018 /nfs/dbraw/zinc/89/50/18/808895018.db2.gz KVVFKKZPHYVKRW-GOSISDBHSA-N 2 2 292.467 3.062 20 30 CGEDLP C=CCCC[NH+]1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001274964365 808895026 /nfs/dbraw/zinc/89/50/26/808895026.db2.gz KVVFKKZPHYVKRW-GOSISDBHSA-N 2 2 292.467 3.062 20 30 CGEDLP C#Cc1cc(Nc2ccc(C[NH2+]C(C)(C)C)cc2)cc[nH+]1 ZINC001204671039 812704736 /nfs/dbraw/zinc/70/47/36/812704736.db2.gz YMSMQSIFNGSFJN-UHFFFAOYSA-N 2 2 279.387 3.117 20 30 CGEDLP C=CCCCCCCCCC[N@@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001235238969 819044899 /nfs/dbraw/zinc/04/48/99/819044899.db2.gz HLBJTOAXBGGFOM-ROUUACIJSA-N 2 2 294.483 3.356 20 30 CGEDLP C=CCCCCCCCCC[N@H+]1CCO[C@H]2C[NH2+]CC[C@@H]21 ZINC001235238969 819044904 /nfs/dbraw/zinc/04/49/04/819044904.db2.gz HLBJTOAXBGGFOM-ROUUACIJSA-N 2 2 294.483 3.356 20 30 CGEDLP C=CC[NH2+]CC[N@@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001236189256 819361729 /nfs/dbraw/zinc/36/17/29/819361729.db2.gz JXDMLPJCYXDJHT-KRWDZBQOSA-N 2 2 269.392 3.080 20 30 CGEDLP C=CC[NH2+]CC[N@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001236189256 819361738 /nfs/dbraw/zinc/36/17/38/819361738.db2.gz JXDMLPJCYXDJHT-KRWDZBQOSA-N 2 2 269.392 3.080 20 30 CGEDLP CCCCCCCCCC[N@H+](C)CC1=CS[C@@H]([NH3+])N1 ZINC001236422251 819469055 /nfs/dbraw/zinc/46/90/55/819469055.db2.gz DWBYUINWYGHBQH-HNNXBMFYSA-N 2 2 285.501 3.479 20 30 CGEDLP CCCCCCCCCC[N@@H+](C)CC1=CS[C@@H]([NH3+])N1 ZINC001236422251 819469060 /nfs/dbraw/zinc/46/90/60/819469060.db2.gz DWBYUINWYGHBQH-HNNXBMFYSA-N 2 2 285.501 3.479 20 30 CGEDLP C=CCCCCCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237142608 819676395 /nfs/dbraw/zinc/67/63/95/819676395.db2.gz OMKDMDGWYJZACG-GOSISDBHSA-N 2 2 294.483 3.358 20 30 CGEDLP C=CCCCCCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CCO2 ZINC001237142608 819676399 /nfs/dbraw/zinc/67/63/99/819676399.db2.gz OMKDMDGWYJZACG-GOSISDBHSA-N 2 2 294.483 3.358 20 30 CGEDLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CC[C@](C)(C#N)C3)cc21 ZINC001237890116 819871748 /nfs/dbraw/zinc/87/17/48/819871748.db2.gz RFBICYKLPIISQP-LJQANCHMSA-N 2 2 295.430 3.423 20 30 CGEDLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@](C)(C#N)C3)cc21 ZINC001237890116 819871765 /nfs/dbraw/zinc/87/17/65/819871765.db2.gz RFBICYKLPIISQP-LJQANCHMSA-N 2 2 295.430 3.423 20 30 CGEDLP Cc1cc(C#N)ccc1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001242474417 823004877 /nfs/dbraw/zinc/00/48/77/823004877.db2.gz NSWKPTRSAYEGSE-KRWDZBQOSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1cc(C#N)ccc1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001242474417 823004881 /nfs/dbraw/zinc/00/48/81/823004881.db2.gz NSWKPTRSAYEGSE-KRWDZBQOSA-N 2 2 291.398 3.067 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C2CCC(CC)CC2)CC1 ZINC001308247271 933080205 /nfs/dbraw/zinc/08/02/05/933080205.db2.gz NQBPFJJGKHYUDX-UHFFFAOYSA-N 2 2 250.430 3.195 20 30 CGEDLP CC[NH+](CCC#N)Cc1ccc(C[N@H+](CC)CCC#N)cc1 ZINC000081039131 345696930 /nfs/dbraw/zinc/69/69/30/345696930.db2.gz ASCXXJSIUWXTPZ-UHFFFAOYSA-N 2 2 298.434 3.158 20 30 CGEDLP CC[NH+](CCC#N)Cc1ccc(C[N@@H+](CC)CCC#N)cc1 ZINC000081039131 345696934 /nfs/dbraw/zinc/69/69/34/345696934.db2.gz ASCXXJSIUWXTPZ-UHFFFAOYSA-N 2 2 298.434 3.158 20 30 CGEDLP C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092072457 345830504 /nfs/dbraw/zinc/83/05/04/345830504.db2.gz AYTMAKUVYLAFRD-MRXNPFEDSA-N 2 2 297.402 3.354 20 30 CGEDLP C=CCOc1ccccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092072457 345830506 /nfs/dbraw/zinc/83/05/06/345830506.db2.gz AYTMAKUVYLAFRD-MRXNPFEDSA-N 2 2 297.402 3.354 20 30 CGEDLP C=CCC(C)(C)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000293779012 346431588 /nfs/dbraw/zinc/43/15/88/346431588.db2.gz STZJRDGCMHYGQU-UHFFFAOYSA-N 2 2 287.451 3.238 20 30 CGEDLP CC(C)(C#N)c1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000594496252 347178548 /nfs/dbraw/zinc/17/85/48/347178548.db2.gz YBQACWXHWLEZAI-UHFFFAOYSA-N 2 2 296.418 3.254 20 30 CGEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594498429 347179259 /nfs/dbraw/zinc/17/92/59/347179259.db2.gz PTBWYZOWBOXPEC-KBXCAEBGSA-N 2 2 297.446 3.060 20 30 CGEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594498429 347179262 /nfs/dbraw/zinc/17/92/62/347179262.db2.gz PTBWYZOWBOXPEC-KBXCAEBGSA-N 2 2 297.446 3.060 20 30 CGEDLP C=CCCSCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000594960617 347241400 /nfs/dbraw/zinc/24/14/00/347241400.db2.gz WIQSXVRPWJCYHW-UHFFFAOYSA-N 2 2 287.432 3.271 20 30 CGEDLP N#CC1(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CCCCC1 ZINC000596652296 347498710 /nfs/dbraw/zinc/49/87/10/347498710.db2.gz PDZZPRPMBDZHGR-CVEARBPZSA-N 2 2 269.392 3.195 20 30 CGEDLP CC1(C#N)CCC([NH2+]CC2CC[NH+](CC(F)F)CC2)CC1 ZINC000598918702 347699608 /nfs/dbraw/zinc/69/96/08/347699608.db2.gz VXANXEIQHBKOSP-UHFFFAOYSA-N 2 2 299.409 3.026 20 30 CGEDLP CC(C)(C#N)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602617733 347994827 /nfs/dbraw/zinc/99/48/27/347994827.db2.gz ZRODAYAVODCLLP-WMZOPIPTSA-N 2 2 297.446 3.494 20 30 CGEDLP CC(C)(C#N)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602617733 347994828 /nfs/dbraw/zinc/99/48/28/347994828.db2.gz ZRODAYAVODCLLP-WMZOPIPTSA-N 2 2 297.446 3.494 20 30 CGEDLP N#CC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602644649 347999838 /nfs/dbraw/zinc/99/98/38/347999838.db2.gz ZSOWPNNLRSLJRV-WMZOPIPTSA-N 2 2 295.430 3.248 20 30 CGEDLP N#CC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602644649 347999840 /nfs/dbraw/zinc/99/98/40/347999840.db2.gz ZSOWPNNLRSLJRV-WMZOPIPTSA-N 2 2 295.430 3.248 20 30 CGEDLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)c3cccc(C#N)c3)n2c1 ZINC000610932073 348410975 /nfs/dbraw/zinc/41/09/75/348410975.db2.gz GEMBRKRZVCRXEJ-AWEZNQCLSA-N 2 2 290.370 3.365 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000614962865 348703541 /nfs/dbraw/zinc/70/35/41/348703541.db2.gz KBKCFMGMLPXXAO-WMLDXEAASA-N 2 2 280.375 3.153 20 30 CGEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000614962865 348703543 /nfs/dbraw/zinc/70/35/43/348703543.db2.gz KBKCFMGMLPXXAO-WMLDXEAASA-N 2 2 280.375 3.153 20 30 CGEDLP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000111389207 138364216 /nfs/dbraw/zinc/36/42/16/138364216.db2.gz XBKZWHHVHCVZNW-INIZCTEOSA-N 2 2 293.414 3.168 20 30 CGEDLP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000111389207 138364217 /nfs/dbraw/zinc/36/42/17/138364217.db2.gz XBKZWHHVHCVZNW-INIZCTEOSA-N 2 2 293.414 3.168 20 30 CGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CC[NH2+]C1CCCCCC1)CC2 ZINC000423284897 236023403 /nfs/dbraw/zinc/02/34/03/236023403.db2.gz XJRYDWMYDATKCM-LJQANCHMSA-N 2 2 297.446 3.448 20 30 CGEDLP C[C@H](CC[NH2+]Cc1ccc(C#N)o1)[N@H+](C)Cc1ccccc1 ZINC000177562319 189057252 /nfs/dbraw/zinc/05/72/52/189057252.db2.gz POPJMNGQAXKJRB-OAHLLOKOSA-N 2 2 297.402 3.151 20 30 CGEDLP C[C@H](CC[NH2+]Cc1ccc(C#N)o1)[N@@H+](C)Cc1ccccc1 ZINC000177562319 189057253 /nfs/dbraw/zinc/05/72/53/189057253.db2.gz POPJMNGQAXKJRB-OAHLLOKOSA-N 2 2 297.402 3.151 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(C)cc32)CC1 ZINC000177910650 189078173 /nfs/dbraw/zinc/07/81/73/189078173.db2.gz JGKUZWDBZBCJIQ-GOSISDBHSA-N 2 2 270.420 3.222 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000179122730 189171234 /nfs/dbraw/zinc/17/12/34/189171234.db2.gz NBISXUGFBDYQOJ-LBPRGKRZSA-N 2 2 279.815 3.036 20 30 CGEDLP C=C(C)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108430 369929909 /nfs/dbraw/zinc/92/99/09/369929909.db2.gz XAQCPTOOZAUMOJ-UHFFFAOYSA-N 2 2 273.424 3.196 20 30 CGEDLP C=C(C)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108430 369929914 /nfs/dbraw/zinc/92/99/14/369929914.db2.gz XAQCPTOOZAUMOJ-UHFFFAOYSA-N 2 2 273.424 3.196 20 30 CGEDLP C=C(Cl)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110280 369929944 /nfs/dbraw/zinc/92/99/44/369929944.db2.gz QBTKRBPHCJVPMF-MRXNPFEDSA-N 2 2 278.827 3.193 20 30 CGEDLP C=C(Cl)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110280 369929954 /nfs/dbraw/zinc/92/99/54/369929954.db2.gz QBTKRBPHCJVPMF-MRXNPFEDSA-N 2 2 278.827 3.193 20 30 CGEDLP C=C(Cl)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110280 369929960 /nfs/dbraw/zinc/92/99/60/369929960.db2.gz QBTKRBPHCJVPMF-MRXNPFEDSA-N 2 2 278.827 3.193 20 30 CGEDLP C=C(Cl)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110280 369929962 /nfs/dbraw/zinc/92/99/62/369929962.db2.gz QBTKRBPHCJVPMF-MRXNPFEDSA-N 2 2 278.827 3.193 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(F)c(F)cc2F)CC1 ZINC000136078633 371460264 /nfs/dbraw/zinc/46/02/64/371460264.db2.gz ICOHTDOVDFECSO-UHFFFAOYSA-N 2 2 298.352 3.234 20 30 CGEDLP CC(C)C1([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000293138670 372310728 /nfs/dbraw/zinc/31/07/28/372310728.db2.gz UBCYXACCCCCLOK-UHFFFAOYSA-N 2 2 297.446 3.301 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC000439007777 372973016 /nfs/dbraw/zinc/97/30/16/372973016.db2.gz ZKVSFEWJFJGQGT-HOTGVXAUSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC000439007777 372973023 /nfs/dbraw/zinc/97/30/23/372973023.db2.gz ZKVSFEWJFJGQGT-HOTGVXAUSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CC[NH+]1CCC(Nc2cc[nH+]c3c(OC)cccc23)CC1 ZINC000189374115 375379770 /nfs/dbraw/zinc/37/97/70/375379770.db2.gz JAWGZQRDUUVVQP-UHFFFAOYSA-N 2 2 297.402 3.306 20 30 CGEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)cc1Cl ZINC000337201164 376133249 /nfs/dbraw/zinc/13/32/49/376133249.db2.gz CPEPIOLJWNNULL-UHFFFAOYSA-N 2 2 291.826 3.129 20 30 CGEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)cc1Cl ZINC000337201164 376133257 /nfs/dbraw/zinc/13/32/57/376133257.db2.gz CPEPIOLJWNNULL-UHFFFAOYSA-N 2 2 291.826 3.129 20 30 CGEDLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)n2c1 ZINC000343153719 377915651 /nfs/dbraw/zinc/91/56/51/377915651.db2.gz MNFKXLHSXMUAAN-AWEZNQCLSA-N 2 2 290.370 3.365 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)COC3)CC1 ZINC000268916298 378151491 /nfs/dbraw/zinc/15/14/91/378151491.db2.gz VJFTWPYXTYGBMY-CQSZACIVSA-N 2 2 286.419 3.018 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269878374 378276642 /nfs/dbraw/zinc/27/66/42/378276642.db2.gz QQRZBLPQQCJKDM-MRXNPFEDSA-N 2 2 292.373 3.192 20 30 CGEDLP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000278315015 379342881 /nfs/dbraw/zinc/34/28/81/379342881.db2.gz UIWAOHNOEBDYIK-BZSNNMDCSA-N 2 2 283.419 3.226 20 30 CGEDLP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(C#N)cc1 ZINC000278315015 379342889 /nfs/dbraw/zinc/34/28/89/379342889.db2.gz UIWAOHNOEBDYIK-BZSNNMDCSA-N 2 2 283.419 3.226 20 30 CGEDLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(C#N)c(F)c1 ZINC000423400240 533424843 /nfs/dbraw/zinc/42/48/43/533424843.db2.gz WXLUELQWBHLPSS-WBMJQRKESA-N 2 2 289.398 3.126 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000282439458 392291163 /nfs/dbraw/zinc/29/11/63/392291163.db2.gz ZIWBONOSLMJUTH-ZDUSSCGKSA-N 2 2 262.397 3.197 20 30 CGEDLP CC[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000442708767 393738627 /nfs/dbraw/zinc/73/86/27/393738627.db2.gz LHGVDVCJQSIKHQ-KFKAGJAMSA-N 2 2 297.446 3.105 20 30 CGEDLP CC[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000442708767 393738631 /nfs/dbraw/zinc/73/86/31/393738631.db2.gz LHGVDVCJQSIKHQ-KFKAGJAMSA-N 2 2 297.446 3.105 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849842 419119977 /nfs/dbraw/zinc/11/99/77/419119977.db2.gz ZFZVSQUEPVZLJV-JONQDZQNSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849842 419119978 /nfs/dbraw/zinc/11/99/78/419119978.db2.gz ZFZVSQUEPVZLJV-JONQDZQNSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CCOCCC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000657658281 419320650 /nfs/dbraw/zinc/32/06/50/419320650.db2.gz RCDLQZHJXXGLAM-AEFFLSMTSA-N 2 2 288.435 3.004 20 30 CGEDLP C=CCOCCC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000657658281 419320652 /nfs/dbraw/zinc/32/06/52/419320652.db2.gz RCDLQZHJXXGLAM-AEFFLSMTSA-N 2 2 288.435 3.004 20 30 CGEDLP C[N@H+](CCCSCC#N)C(C)(C)C[NH+]1CCCCCC1 ZINC000426774247 260365921 /nfs/dbraw/zinc/36/59/21/260365921.db2.gz TYRSHGIMTDZRGN-UHFFFAOYSA-N 2 2 297.512 3.220 20 30 CGEDLP C[N@@H+](CCCSCC#N)C(C)(C)C[NH+]1CCCCCC1 ZINC000426774247 260365923 /nfs/dbraw/zinc/36/59/23/260365923.db2.gz TYRSHGIMTDZRGN-UHFFFAOYSA-N 2 2 297.512 3.220 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488441807 262322888 /nfs/dbraw/zinc/32/28/88/262322888.db2.gz SPFNIQJPKADWME-LSDHHAIUSA-N 2 2 282.497 3.147 20 30 CGEDLP C=CCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000280051735 263058726 /nfs/dbraw/zinc/05/87/26/263058726.db2.gz KSEYVSQECAUXGH-UHFFFAOYSA-N 2 2 283.419 3.078 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000368513911 267178487 /nfs/dbraw/zinc/17/84/87/267178487.db2.gz JBVUJTKXIMPJNU-LPHOPBHVSA-N 2 2 299.462 3.348 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3nc(C)sc32)CC1 ZINC000177911254 275745204 /nfs/dbraw/zinc/74/52/04/275745204.db2.gz OTXOBXVXERHWJS-OAHLLOKOSA-N 2 2 291.464 3.069 20 30 CGEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000414311654 328154532 /nfs/dbraw/zinc/15/45/32/328154532.db2.gz YRTYCLGJROLDAM-SUMDDJOVSA-N 2 2 284.447 3.246 20 30 CGEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000414311654 328154533 /nfs/dbraw/zinc/15/45/33/328154533.db2.gz YRTYCLGJROLDAM-SUMDDJOVSA-N 2 2 284.447 3.246 20 30 CGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000192727049 329435576 /nfs/dbraw/zinc/43/55/76/329435576.db2.gz XAZITHSZGWVUBO-GDBMZVCRSA-N 2 2 280.375 3.044 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CCC)C2CCC2)CC1 ZINC000453098727 331088970 /nfs/dbraw/zinc/08/89/70/331088970.db2.gz KHPRFESBNZNYKV-MRXNPFEDSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000453104510 331089662 /nfs/dbraw/zinc/08/96/62/331089662.db2.gz UKQOOOSUTUCELG-INIZCTEOSA-N 2 2 287.451 3.033 20 30 CGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459684049 331294263 /nfs/dbraw/zinc/29/42/63/331294263.db2.gz BOPMHVXACQCFCU-WBVHZDCISA-N 2 2 285.435 3.351 20 30 CGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459684049 331294264 /nfs/dbraw/zinc/29/42/64/331294264.db2.gz BOPMHVXACQCFCU-WBVHZDCISA-N 2 2 285.435 3.351 20 30 CGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459684032 331294285 /nfs/dbraw/zinc/29/42/85/331294285.db2.gz BOPMHVXACQCFCU-NVXWUHKLSA-N 2 2 285.435 3.351 20 30 CGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000459684032 331294286 /nfs/dbraw/zinc/29/42/86/331294286.db2.gz BOPMHVXACQCFCU-NVXWUHKLSA-N 2 2 285.435 3.351 20 30 CGEDLP C#CC[N@H+](Cc1c[nH+]cn1Cc1ccccc1)C1CCCC1 ZINC000490715267 332108059 /nfs/dbraw/zinc/10/80/59/332108059.db2.gz WBPSBCZXFZRAPK-UHFFFAOYSA-N 2 2 293.414 3.309 20 30 CGEDLP C#CC[N@@H+](Cc1c[nH+]cn1Cc1ccccc1)C1CCCC1 ZINC000490715267 332108060 /nfs/dbraw/zinc/10/80/60/332108060.db2.gz WBPSBCZXFZRAPK-UHFFFAOYSA-N 2 2 293.414 3.309 20 30 CGEDLP C#C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000491691806 332288588 /nfs/dbraw/zinc/28/85/88/332288588.db2.gz HJSKUQHLLLCFIC-KRWDZBQOSA-N 2 2 288.822 3.231 20 30 CGEDLP N#CCC[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000569095659 334854734 /nfs/dbraw/zinc/85/47/34/334854734.db2.gz VDFOJJAPHDSEPB-UHFFFAOYSA-N 2 2 271.408 3.066 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(CC(C)C)nc2)CC1 ZINC000892881198 618947958 /nfs/dbraw/zinc/94/79/58/618947958.db2.gz QYROWADUFMLRDQ-UHFFFAOYSA-N 2 2 287.451 3.020 20 30 CGEDLP C=CCSCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902855319 621477154 /nfs/dbraw/zinc/47/71/54/621477154.db2.gz XKTWVDQJWPKTQB-CQSZACIVSA-N 2 2 287.432 3.442 20 30 CGEDLP C=C(Cl)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000839551319 626758588 /nfs/dbraw/zinc/75/85/88/626758588.db2.gz ALKAKXIKCPNGPK-UHFFFAOYSA-N 2 2 267.804 3.128 20 30 CGEDLP C=CCCCCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000806168140 630552494 /nfs/dbraw/zinc/55/24/94/630552494.db2.gz VITHGPMWVXMLQL-ZBFHGGJFSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCCCCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000806168140 630552495 /nfs/dbraw/zinc/55/24/95/630552495.db2.gz VITHGPMWVXMLQL-ZBFHGGJFSA-N 2 2 250.430 3.195 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000815652414 631813500 /nfs/dbraw/zinc/81/35/00/631813500.db2.gz BPBZQXNNOHNKBN-HNNXBMFYSA-N 2 2 294.826 3.041 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000815652414 631813504 /nfs/dbraw/zinc/81/35/04/631813504.db2.gz BPBZQXNNOHNKBN-HNNXBMFYSA-N 2 2 294.826 3.041 20 30 CGEDLP C=CCC[C@H](COc1ccccc1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000883171867 636564804 /nfs/dbraw/zinc/56/48/04/636564804.db2.gz LFJPXWWKMMKYRJ-IAGOWNOFSA-N 2 2 299.418 3.275 20 30 CGEDLP C=CCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000883172087 636565957 /nfs/dbraw/zinc/56/59/57/636565957.db2.gz UNXSHSFVQIIMQY-AEFFLSMTSA-N 2 2 283.419 3.439 20 30 CGEDLP N#Cc1cccc(C2([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000925926212 638656089 /nfs/dbraw/zinc/65/60/89/638656089.db2.gz MQWUZRMDMJLYAH-QZTJIDSGSA-N 2 2 295.430 3.154 20 30 CGEDLP N#Cc1cccc(C2([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000925926212 638656092 /nfs/dbraw/zinc/65/60/92/638656092.db2.gz MQWUZRMDMJLYAH-QZTJIDSGSA-N 2 2 295.430 3.154 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001252136681 806024508 /nfs/dbraw/zinc/02/45/08/806024508.db2.gz TVKCQNLGAKJRJS-IRXDYDNUSA-N 2 2 284.488 3.172 20 30 CGEDLP C[C@@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[N@@H+](CCCC#N)C2 ZINC000705687967 799952747 /nfs/dbraw/zinc/95/27/47/799952747.db2.gz SKKHBHZOLUQQKQ-KDURUIRLSA-N 2 2 297.446 3.134 20 30 CGEDLP C[C@@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[N@H+](CCCC#N)C2 ZINC000705687967 799952755 /nfs/dbraw/zinc/95/27/55/799952755.db2.gz SKKHBHZOLUQQKQ-KDURUIRLSA-N 2 2 297.446 3.134 20 30 CGEDLP C[C@]12C[NH+](CCCC#N)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC000705687967 799952763 /nfs/dbraw/zinc/95/27/63/799952763.db2.gz SKKHBHZOLUQQKQ-KDURUIRLSA-N 2 2 297.446 3.134 20 30 CGEDLP C[C@]12C[NH+](CCCC#N)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC000705687967 799952769 /nfs/dbraw/zinc/95/27/69/799952769.db2.gz SKKHBHZOLUQQKQ-KDURUIRLSA-N 2 2 297.446 3.134 20 30 CGEDLP C=CCC[C@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716279400 800167136 /nfs/dbraw/zinc/16/71/36/800167136.db2.gz LCTCZPAYLUBTHW-HNNXBMFYSA-N 2 2 258.409 3.063 20 30 CGEDLP C=CC[NH+]1CCC(Nc2cc(C)[nH+]c(C3CCC3)n2)CC1 ZINC001120021889 802726368 /nfs/dbraw/zinc/72/63/68/802726368.db2.gz TXZPNRIZOFKNQB-UHFFFAOYSA-N 2 2 286.423 3.115 20 30 CGEDLP CCCCCCC[C@H](CC)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246337563 804291756 /nfs/dbraw/zinc/29/17/56/804291756.db2.gz UCOAZVOJYJRNCL-LSDHHAIUSA-N 2 2 272.502 3.420 20 30 CGEDLP C#C[C@@H]1CCC[N@@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140026655 804354682 /nfs/dbraw/zinc/35/46/82/804354682.db2.gz OUUXJNTUGWKQAQ-MRXNPFEDSA-N 2 2 279.387 3.026 20 30 CGEDLP C#C[C@@H]1CCC[N@H+](Cc2ccccc2-n2cc[nH+]c2C)C1 ZINC001140026655 804354688 /nfs/dbraw/zinc/35/46/88/804354688.db2.gz OUUXJNTUGWKQAQ-MRXNPFEDSA-N 2 2 279.387 3.026 20 30 CGEDLP CCc1cc(C#N)ccc1C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001248752560 804984167 /nfs/dbraw/zinc/98/41/67/804984167.db2.gz QMZYVMPQRAIDFG-UHFFFAOYSA-N 2 2 297.446 3.179 20 30 CGEDLP CCc1cc(C#N)ccc1C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001248752560 804984171 /nfs/dbraw/zinc/98/41/71/804984171.db2.gz QMZYVMPQRAIDFG-UHFFFAOYSA-N 2 2 297.446 3.179 20 30 CGEDLP N#Cc1ccc(C2CCC([NH2+]CCn3cc[nH+]c3)CC2)cc1 ZINC001257008810 807024995 /nfs/dbraw/zinc/02/49/95/807024995.db2.gz PUYVXGZFEVJZBM-UHFFFAOYSA-N 2 2 294.402 3.071 20 30 CGEDLP C=CCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001258717675 807567644 /nfs/dbraw/zinc/56/76/44/807567644.db2.gz SDOSEGBHTAUEKP-MRXNPFEDSA-N 2 2 297.446 3.467 20 30 CGEDLP C[NH+]1C(C)(C)CC([NH2+]Cc2ccccc2C#N)CC1(C)C ZINC001171621587 808106908 /nfs/dbraw/zinc/10/69/08/808106908.db2.gz NYVFCYQPKDBAHP-UHFFFAOYSA-N 2 2 285.435 3.299 20 30 CGEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001172300989 808220615 /nfs/dbraw/zinc/22/06/15/808220615.db2.gz JEDKRCGYQWIKII-IRXDYDNUSA-N 2 2 299.462 3.199 20 30 CGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173597309 808650953 /nfs/dbraw/zinc/65/09/53/808650953.db2.gz OVCJADTYHZRDFD-PQUAAJSLSA-N 2 2 299.418 3.316 20 30 CGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173597309 808650954 /nfs/dbraw/zinc/65/09/54/808650954.db2.gz OVCJADTYHZRDFD-PQUAAJSLSA-N 2 2 299.418 3.316 20 30 CGEDLP C=CCCC[NH+]1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001274962582 808895415 /nfs/dbraw/zinc/89/54/15/808895415.db2.gz PBLMZVXHURDPIA-UHFFFAOYSA-N 2 2 290.373 3.303 20 30 CGEDLP C=CCCC[NH+]1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001274962582 808895421 /nfs/dbraw/zinc/89/54/21/808895421.db2.gz PBLMZVXHURDPIA-UHFFFAOYSA-N 2 2 290.373 3.303 20 30 CGEDLP C=CCCCCCCCCC[N@@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001205376226 812974515 /nfs/dbraw/zinc/97/45/15/812974515.db2.gz DKCJJQFVPOSIQO-QGZVFWFLSA-N 2 2 282.472 3.213 20 30 CGEDLP C=CCCCCCCCCC[N@H+](C)C[C@H]1C[NH2+]CCO1 ZINC001205376226 812974517 /nfs/dbraw/zinc/97/45/17/812974517.db2.gz DKCJJQFVPOSIQO-QGZVFWFLSA-N 2 2 282.472 3.213 20 30 CGEDLP C=CCCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001209208369 813968939 /nfs/dbraw/zinc/96/89/39/813968939.db2.gz SMCPXENKOYWRET-OAHLLOKOSA-N 2 2 260.381 3.199 20 30 CGEDLP C=CCCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001209208369 813968943 /nfs/dbraw/zinc/96/89/43/813968943.db2.gz SMCPXENKOYWRET-OAHLLOKOSA-N 2 2 260.381 3.199 20 30 CGEDLP C#CCCC[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001209268331 813989349 /nfs/dbraw/zinc/98/93/49/813989349.db2.gz YUICRYPPZVFKDS-UHFFFAOYSA-N 2 2 288.410 3.135 20 30 CGEDLP C#CCCC[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001209268331 813989356 /nfs/dbraw/zinc/98/93/56/813989356.db2.gz YUICRYPPZVFKDS-UHFFFAOYSA-N 2 2 288.410 3.135 20 30 CGEDLP N#Cc1ccc2c(c1)CC[N@@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001209845369 814161860 /nfs/dbraw/zinc/16/18/60/814161860.db2.gz IYWZGMUUAXYFOA-UHFFFAOYSA-N 2 2 297.446 3.229 20 30 CGEDLP N#Cc1ccc2c(c1)CC[N@H+](CCC[NH2+]C1CCCCC1)C2 ZINC001209845369 814161864 /nfs/dbraw/zinc/16/18/64/814161864.db2.gz IYWZGMUUAXYFOA-UHFFFAOYSA-N 2 2 297.446 3.229 20 30 CGEDLP Cc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1C#N ZINC001242769448 823127809 /nfs/dbraw/zinc/12/78/09/823127809.db2.gz ULVLMGSIDMAWTQ-LJQANCHMSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1C#N ZINC001242769448 823127811 /nfs/dbraw/zinc/12/78/11/823127811.db2.gz ULVLMGSIDMAWTQ-LJQANCHMSA-N 2 2 291.398 3.067 20 30 CGEDLP CCCCCCC/C=C/C[N@@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235257448 819052810 /nfs/dbraw/zinc/05/28/10/819052810.db2.gz IFWSCHSVFHQQJL-OFTJQPPSSA-N 2 2 250.430 3.197 20 30 CGEDLP CCCCCCC/C=C/C[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235257448 819052815 /nfs/dbraw/zinc/05/28/15/819052815.db2.gz IFWSCHSVFHQQJL-OFTJQPPSSA-N 2 2 250.430 3.197 20 30 CGEDLP C#Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC001308466973 933115094 /nfs/dbraw/zinc/11/50/94/933115094.db2.gz SCWXIAYTFCHFFF-LJQANCHMSA-N 2 2 282.431 3.165 20 30 CGEDLP C#Cc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001308466973 933115098 /nfs/dbraw/zinc/11/50/98/933115098.db2.gz SCWXIAYTFCHFFF-LJQANCHMSA-N 2 2 282.431 3.165 20 30 CGEDLP C=C[C@@H](CC)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001333305937 935524026 /nfs/dbraw/zinc/52/40/26/935524026.db2.gz KPELUWXSOTUYTR-ZDUSSCGKSA-N 2 2 284.363 3.117 20 30 CGEDLP C(#Cc1ccccc1)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC001333699345 936056992 /nfs/dbraw/zinc/05/69/92/936056992.db2.gz SLUDYDPQMQWEHI-UHFFFAOYSA-N 2 2 282.431 3.035 20 30 CGEDLP CC#CC[N@H+](C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001559874123 938237720 /nfs/dbraw/zinc/23/77/20/938237720.db2.gz HJRSNISRRYEXSE-UHFFFAOYSA-N 2 2 298.474 3.286 20 30 CGEDLP CC#CC[N@@H+](C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001559874123 938237721 /nfs/dbraw/zinc/23/77/21/938237721.db2.gz HJRSNISRRYEXSE-UHFFFAOYSA-N 2 2 298.474 3.286 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000651676240 398267320 /nfs/dbraw/zinc/26/73/20/398267320.db2.gz TUJUKUTXVHHPGG-CABCVRRESA-N 2 2 273.424 3.096 20 30 CGEDLP C=CCC(C)(C)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000340423691 346502576 /nfs/dbraw/zinc/50/25/76/346502576.db2.gz MFKZVIRRFVQTMO-UHFFFAOYSA-N 2 2 287.451 3.238 20 30 CGEDLP CC[N@H+](CCC[NH2+]Cc1ccc(C#N)o1)C1CCCCC1 ZINC000593660142 347101022 /nfs/dbraw/zinc/10/10/22/347101022.db2.gz BEDUWIPGUNSXPA-UHFFFAOYSA-N 2 2 289.423 3.286 20 30 CGEDLP CC[N@@H+](CCC[NH2+]Cc1ccc(C#N)o1)C1CCCCC1 ZINC000593660142 347101024 /nfs/dbraw/zinc/10/10/24/347101024.db2.gz BEDUWIPGUNSXPA-UHFFFAOYSA-N 2 2 289.423 3.286 20 30 CGEDLP CC1(C#N)CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000594518650 347187201 /nfs/dbraw/zinc/18/72/01/347187201.db2.gz IRNBADZXSGNGBO-JCCCHCCOSA-N 2 2 275.440 3.065 20 30 CGEDLP CC1(C#N)CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000594518650 347187203 /nfs/dbraw/zinc/18/72/03/347187203.db2.gz IRNBADZXSGNGBO-JCCCHCCOSA-N 2 2 275.440 3.065 20 30 CGEDLP N#CC1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CCCCC1 ZINC000596652299 347498344 /nfs/dbraw/zinc/49/83/44/347498344.db2.gz PDZZPRPMBDZHGR-JKSUJKDBSA-N 2 2 269.392 3.195 20 30 CGEDLP CC[N@H+](Cc1c[nH+]c(C)n1C)[C@H](C)c1ccc(C#N)cc1 ZINC000596984951 347524795 /nfs/dbraw/zinc/52/47/95/347524795.db2.gz YPNOEDUBAMDPQP-CYBMUJFWSA-N 2 2 282.391 3.183 20 30 CGEDLP CC[N@@H+](Cc1c[nH+]c(C)n1C)[C@H](C)c1ccc(C#N)cc1 ZINC000596984951 347524797 /nfs/dbraw/zinc/52/47/97/347524797.db2.gz YPNOEDUBAMDPQP-CYBMUJFWSA-N 2 2 282.391 3.183 20 30 CGEDLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@](C)(C#N)C1 ZINC000597231700 347559589 /nfs/dbraw/zinc/55/95/89/347559589.db2.gz ZYWJLUMMPSEOCS-IBGZPJMESA-N 2 2 299.462 3.380 20 30 CGEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@](C)(C#N)C1 ZINC000597231700 347559592 /nfs/dbraw/zinc/55/95/92/347559592.db2.gz ZYWJLUMMPSEOCS-IBGZPJMESA-N 2 2 299.462 3.380 20 30 CGEDLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597231700 347559596 /nfs/dbraw/zinc/55/95/96/347559596.db2.gz ZYWJLUMMPSEOCS-IBGZPJMESA-N 2 2 299.462 3.380 20 30 CGEDLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597231700 347559598 /nfs/dbraw/zinc/55/95/98/347559598.db2.gz ZYWJLUMMPSEOCS-IBGZPJMESA-N 2 2 299.462 3.380 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602617848 347995608 /nfs/dbraw/zinc/99/56/08/347995608.db2.gz OQVBYKDYAVGPNZ-RYRKJORJSA-N 2 2 285.435 3.036 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602617848 347995610 /nfs/dbraw/zinc/99/56/10/347995610.db2.gz OQVBYKDYAVGPNZ-RYRKJORJSA-N 2 2 285.435 3.036 20 30 CGEDLP C[C@]1(C#N)CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000612405772 348516616 /nfs/dbraw/zinc/51/66/16/348516616.db2.gz CNTPFGRJYIPYIU-OAHLLOKOSA-N 2 2 286.404 3.059 20 30 CGEDLP C[C@]1(C#N)CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000612405772 348516619 /nfs/dbraw/zinc/51/66/19/348516619.db2.gz CNTPFGRJYIPYIU-OAHLLOKOSA-N 2 2 286.404 3.059 20 30 CGEDLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000619508169 349254684 /nfs/dbraw/zinc/25/46/84/349254684.db2.gz BOTWIQQWKLMDFJ-FUHWJXTLSA-N 2 2 283.419 3.010 20 30 CGEDLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000619508169 349254687 /nfs/dbraw/zinc/25/46/87/349254687.db2.gz BOTWIQQWKLMDFJ-FUHWJXTLSA-N 2 2 283.419 3.010 20 30 CGEDLP C=CCOc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000122561890 187038419 /nfs/dbraw/zinc/03/84/19/187038419.db2.gz FPGOGGATKLLSCG-UHFFFAOYSA-N 2 2 297.402 3.285 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000177909468 189078681 /nfs/dbraw/zinc/07/86/81/189078681.db2.gz YEWRHBPFNSINIQ-GFCCVEGCSA-N 2 2 280.362 3.266 20 30 CGEDLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000181557203 189300201 /nfs/dbraw/zinc/30/02/01/189300201.db2.gz WWXOQZNTCDTRAL-MRXNPFEDSA-N 2 2 293.414 3.341 20 30 CGEDLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1cccc(C#N)c1 ZINC000181557203 189300202 /nfs/dbraw/zinc/30/02/02/189300202.db2.gz WWXOQZNTCDTRAL-MRXNPFEDSA-N 2 2 293.414 3.341 20 30 CGEDLP CCc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[NH+](C)C)cc1 ZINC000442653371 373061111 /nfs/dbraw/zinc/06/11/11/373061111.db2.gz SBJJBPJQHWVSFY-NXHRZFHOSA-N 2 2 285.435 3.134 20 30 CGEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1C(C)(C)C#N ZINC000181108157 374080450 /nfs/dbraw/zinc/08/04/50/374080450.db2.gz JXYOLMJMYRQUJM-UHFFFAOYSA-N 2 2 296.418 3.206 20 30 CGEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1C(C)(C)C#N ZINC000181108157 374080459 /nfs/dbraw/zinc/08/04/59/374080459.db2.gz JXYOLMJMYRQUJM-UHFFFAOYSA-N 2 2 296.418 3.206 20 30 CGEDLP C=C(C)[C@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccc(F)c(F)c1 ZINC000521463137 375875845 /nfs/dbraw/zinc/87/58/45/375875845.db2.gz ZSWSPSMSFWJLML-INIZCTEOSA-N 2 2 291.345 3.414 20 30 CGEDLP C=CC[N@@H+](CCC[NH+](CC)CC)Cc1cccs1 ZINC000338262349 376300358 /nfs/dbraw/zinc/30/03/58/376300358.db2.gz JNMCYPQHMPZLQV-UHFFFAOYSA-N 2 2 266.454 3.468 20 30 CGEDLP C=CC[N@H+](CCC[NH+](CC)CC)Cc1cccs1 ZINC000338262349 376300366 /nfs/dbraw/zinc/30/03/66/376300366.db2.gz JNMCYPQHMPZLQV-UHFFFAOYSA-N 2 2 266.454 3.468 20 30 CGEDLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)[N@H+](C)Cc1ccccc1 ZINC000248736672 377390769 /nfs/dbraw/zinc/39/07/69/377390769.db2.gz DQMCTKJMFKHNFA-NXHRZFHOSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)[N@@H+](C)Cc1ccccc1 ZINC000248736672 377390778 /nfs/dbraw/zinc/39/07/78/377390778.db2.gz DQMCTKJMFKHNFA-NXHRZFHOSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248772256 377400988 /nfs/dbraw/zinc/40/09/88/377400988.db2.gz HJKJDSHHKGYEGV-OWYHZJEWSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248772256 377400994 /nfs/dbraw/zinc/40/09/94/377400994.db2.gz HJKJDSHHKGYEGV-OWYHZJEWSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000342756728 377775953 /nfs/dbraw/zinc/77/59/53/377775953.db2.gz VHQOTHIHPGTEQO-YJBOKZPZSA-N 2 2 294.402 3.032 20 30 CGEDLP C[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000342756728 377775958 /nfs/dbraw/zinc/77/59/58/377775958.db2.gz VHQOTHIHPGTEQO-YJBOKZPZSA-N 2 2 294.402 3.032 20 30 CGEDLP C[C@H](C[NH2+]CC(C)(C)CCC#N)[N@@H+]1CCCC[C@H]1C ZINC000343282458 377946365 /nfs/dbraw/zinc/94/63/65/377946365.db2.gz JUEZXKYCSSIICO-HUUCEWRRSA-N 2 2 265.445 3.169 20 30 CGEDLP C[C@H](C[NH2+]CC(C)(C)CCC#N)[N@H+]1CCCC[C@H]1C ZINC000343282458 377946368 /nfs/dbraw/zinc/94/63/68/377946368.db2.gz JUEZXKYCSSIICO-HUUCEWRRSA-N 2 2 265.445 3.169 20 30 CGEDLP C[C@@H](C[NH2+]CC(C)(C)CCC#N)[N@@H+]1CCCC[C@@H]1C ZINC000343282457 377946578 /nfs/dbraw/zinc/94/65/78/377946578.db2.gz JUEZXKYCSSIICO-GJZGRUSLSA-N 2 2 265.445 3.169 20 30 CGEDLP C[C@@H](C[NH2+]CC(C)(C)CCC#N)[N@H+]1CCCC[C@@H]1C ZINC000343282457 377946584 /nfs/dbraw/zinc/94/65/84/377946584.db2.gz JUEZXKYCSSIICO-GJZGRUSLSA-N 2 2 265.445 3.169 20 30 CGEDLP C#CCCC[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280330554 379678878 /nfs/dbraw/zinc/67/88/78/379678878.db2.gz ZMMBTSMFBJZZDE-UHFFFAOYSA-N 2 2 281.403 3.395 20 30 CGEDLP C=C(C)CC[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000351872586 379747939 /nfs/dbraw/zinc/74/79/39/379747939.db2.gz DUBXXSOYDYPZRJ-OAGGEKHMSA-N 2 2 250.430 3.290 20 30 CGEDLP C=C(C)CC[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000351872586 379747942 /nfs/dbraw/zinc/74/79/42/379747942.db2.gz DUBXXSOYDYPZRJ-OAGGEKHMSA-N 2 2 250.430 3.290 20 30 CGEDLP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353582555 380213600 /nfs/dbraw/zinc/21/36/00/380213600.db2.gz SKGHKJXULHLJDJ-AEFFLSMTSA-N 2 2 283.419 3.010 20 30 CGEDLP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353582555 380213605 /nfs/dbraw/zinc/21/36/05/380213605.db2.gz SKGHKJXULHLJDJ-AEFFLSMTSA-N 2 2 283.419 3.010 20 30 CGEDLP C=CC[N@H+](CCCn1cc[nH+]c1)CCc1ccccc1 ZINC000183168410 392754120 /nfs/dbraw/zinc/75/41/20/392754120.db2.gz ZMKLUDATNKIZDF-UHFFFAOYSA-N 2 2 269.392 3.004 20 30 CGEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)CCc1ccccc1 ZINC000183168410 392754127 /nfs/dbraw/zinc/75/41/27/392754127.db2.gz ZMKLUDATNKIZDF-UHFFFAOYSA-N 2 2 269.392 3.004 20 30 CGEDLP C=CCCCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000648450072 393023892 /nfs/dbraw/zinc/02/38/92/393023892.db2.gz QHJBXWKSHBNDOX-GDBMZVCRSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCCCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000648450072 393023898 /nfs/dbraw/zinc/02/38/98/393023898.db2.gz QHJBXWKSHBNDOX-GDBMZVCRSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000676489868 543399568 /nfs/dbraw/zinc/39/95/68/543399568.db2.gz VCRJXACWYAFCPA-SJORKVTESA-N 2 2 258.409 3.378 20 30 CGEDLP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000676489868 543399569 /nfs/dbraw/zinc/39/95/69/543399569.db2.gz VCRJXACWYAFCPA-SJORKVTESA-N 2 2 258.409 3.378 20 30 CGEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657530724 419299237 /nfs/dbraw/zinc/29/92/37/419299237.db2.gz RXJYFNARERAHHI-ZFWWWQNUSA-N 2 2 259.397 3.054 20 30 CGEDLP C=CCOCCC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000657658284 419320862 /nfs/dbraw/zinc/32/08/62/419320862.db2.gz RCDLQZHJXXGLAM-WMZOPIPTSA-N 2 2 288.435 3.004 20 30 CGEDLP C=CCOCCC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000657658284 419320865 /nfs/dbraw/zinc/32/08/65/419320865.db2.gz RCDLQZHJXXGLAM-WMZOPIPTSA-N 2 2 288.435 3.004 20 30 CGEDLP C=CCOCCC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000657658283 419320872 /nfs/dbraw/zinc/32/08/72/419320872.db2.gz RCDLQZHJXXGLAM-SJLPKXTDSA-N 2 2 288.435 3.004 20 30 CGEDLP C=CCOCCC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000657658283 419320875 /nfs/dbraw/zinc/32/08/75/419320875.db2.gz RCDLQZHJXXGLAM-SJLPKXTDSA-N 2 2 288.435 3.004 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000657901860 419428183 /nfs/dbraw/zinc/42/81/83/419428183.db2.gz HAOFHNKLPLGBIQ-HWMZRRJGSA-N 2 2 262.441 3.336 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000657901860 419428190 /nfs/dbraw/zinc/42/81/90/419428190.db2.gz HAOFHNKLPLGBIQ-HWMZRRJGSA-N 2 2 262.441 3.336 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)CC1 ZINC000180489636 260103832 /nfs/dbraw/zinc/10/38/32/260103832.db2.gz UNGFEQQBNIVGHE-HNAYVOBHSA-N 2 2 284.447 3.468 20 30 CGEDLP C[C@@H](C[NH2+]CC(C)(C)CCC#N)[N@H+](C)Cc1ccccc1 ZINC000174375843 261184568 /nfs/dbraw/zinc/18/45/68/261184568.db2.gz FNCIJFQMMVQWMD-INIZCTEOSA-N 2 2 287.451 3.426 20 30 CGEDLP C[C@@H](C[NH2+]CC(C)(C)CCC#N)[N@@H+](C)Cc1ccccc1 ZINC000174375843 261184569 /nfs/dbraw/zinc/18/45/69/261184569.db2.gz FNCIJFQMMVQWMD-INIZCTEOSA-N 2 2 287.451 3.426 20 30 CGEDLP C=CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000364191766 262182928 /nfs/dbraw/zinc/18/29/28/262182928.db2.gz VMUBPBAQOXXRLJ-SJLPKXTDSA-N 2 2 287.451 3.238 20 30 CGEDLP C=CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000364191766 262182929 /nfs/dbraw/zinc/18/29/29/262182929.db2.gz VMUBPBAQOXXRLJ-SJLPKXTDSA-N 2 2 287.451 3.238 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453102091 263187736 /nfs/dbraw/zinc/18/77/36/263187736.db2.gz OSQKYTNKKICROJ-QGZVFWFLSA-N 2 2 262.441 3.195 20 30 CGEDLP C=CC[C@@H](CC)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000341501878 263340243 /nfs/dbraw/zinc/34/02/43/263340243.db2.gz YJLAFWBWCQVXDI-GFCCVEGCSA-N 2 2 261.394 3.378 20 30 CGEDLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccc(C#N)cc1 ZINC000423446302 274249468 /nfs/dbraw/zinc/24/94/68/274249468.db2.gz ZANBYGHACYENRG-KUHUBIRLSA-N 2 2 291.398 3.096 20 30 CGEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)CCC2 ZINC000336212712 281550286 /nfs/dbraw/zinc/55/02/86/281550286.db2.gz GXOGSXUWDWKQIK-UQPPLGOBSA-N 2 2 286.423 3.131 20 30 CGEDLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000271809756 328197341 /nfs/dbraw/zinc/19/73/41/328197341.db2.gz ANGFLCSCZNBBGO-HNNXBMFYSA-N 2 2 295.386 3.186 20 30 CGEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423445762 330202215 /nfs/dbraw/zinc/20/22/15/330202215.db2.gz YPJAAGFJRZEWCW-RDJZCZTQSA-N 2 2 258.409 3.208 20 30 CGEDLP C=CC(C)(C)CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000527929862 330297311 /nfs/dbraw/zinc/29/73/11/330297311.db2.gz XMGKEECCEQNKPD-UHFFFAOYSA-N 2 2 287.451 3.238 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@@H](CC(C)C)[NH+](C)C)C1CC1 ZINC000439090168 330733712 /nfs/dbraw/zinc/73/37/12/330733712.db2.gz XWQQCMDCDSHPOU-HZPDHXFCSA-N 2 2 252.446 3.297 20 30 CGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459735469 331296892 /nfs/dbraw/zinc/29/68/92/331296892.db2.gz SYLMASJVZZJCIK-WBVHZDCISA-N 2 2 285.435 3.036 20 30 CGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459735469 331296893 /nfs/dbraw/zinc/29/68/93/331296893.db2.gz SYLMASJVZZJCIK-WBVHZDCISA-N 2 2 285.435 3.036 20 30 CGEDLP C[C@@H](C[NH2+]CC(C)(C)CCC#N)[N@@H+]1CCC[C@H](C)C1 ZINC000174270152 335151652 /nfs/dbraw/zinc/15/16/52/335151652.db2.gz MJKZQIQAEOAQLB-GJZGRUSLSA-N 2 2 265.445 3.026 20 30 CGEDLP C[C@@H](C[NH2+]CC(C)(C)CCC#N)[N@H+]1CCC[C@H](C)C1 ZINC000174270152 335151653 /nfs/dbraw/zinc/15/16/53/335151653.db2.gz MJKZQIQAEOAQLB-GJZGRUSLSA-N 2 2 265.445 3.026 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+]CC1(C)CC1)C(C)C ZINC000555525712 334480575 /nfs/dbraw/zinc/48/05/75/334480575.db2.gz CSGKCTHQHXJAFN-OAHLLOKOSA-N 2 2 250.430 3.075 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000577584708 335373426 /nfs/dbraw/zinc/37/34/26/335373426.db2.gz WAEOXGZBPPBHQT-VSZNYVQBSA-N 2 2 294.483 3.231 20 30 CGEDLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(C#N)cc1F ZINC000423390923 533888134 /nfs/dbraw/zinc/88/81/34/533888134.db2.gz OVJOBSANLAQIIK-LRDDRELGSA-N 2 2 289.398 3.126 20 30 CGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1Cl ZINC000347056563 526871135 /nfs/dbraw/zinc/87/11/35/526871135.db2.gz VLLJMVCDRSYKQP-IUODEOHRSA-N 2 2 294.826 3.074 20 30 CGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1Cl ZINC000347056563 526871141 /nfs/dbraw/zinc/87/11/41/526871141.db2.gz VLLJMVCDRSYKQP-IUODEOHRSA-N 2 2 294.826 3.074 20 30 CGEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000903025687 621542855 /nfs/dbraw/zinc/54/28/55/621542855.db2.gz HAJPYEQNTBASPQ-HFTRVMKXSA-N 2 2 297.402 3.114 20 30 CGEDLP C=C(C)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000783329541 628703580 /nfs/dbraw/zinc/70/35/80/628703580.db2.gz JILJBYRBHHKJLQ-MRXNPFEDSA-N 2 2 258.409 3.205 20 30 CGEDLP C=C(C)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000783329541 628703582 /nfs/dbraw/zinc/70/35/82/628703582.db2.gz JILJBYRBHHKJLQ-MRXNPFEDSA-N 2 2 258.409 3.205 20 30 CGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH2+]CC)cc1 ZINC000817972523 632266685 /nfs/dbraw/zinc/26/66/85/632266685.db2.gz MKPOSJDKJWMKFP-KGLIPLIRSA-N 2 2 296.842 3.467 20 30 CGEDLP C=CCC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000826915595 633444029 /nfs/dbraw/zinc/44/40/29/633444029.db2.gz PPDVRBMTCNSDBF-DOTOQJQBSA-N 2 2 258.409 3.063 20 30 CGEDLP C=CCC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000826915595 633444031 /nfs/dbraw/zinc/44/40/31/633444031.db2.gz PPDVRBMTCNSDBF-DOTOQJQBSA-N 2 2 258.409 3.063 20 30 CGEDLP CCOc1cccc(/C=[NH+]\CCCC[N@H+](C)C2CC2)c1O ZINC000840708388 635037960 /nfs/dbraw/zinc/03/79/60/635037960.db2.gz ANHBLNVYVKXYMY-AQTBWJFISA-N 2 2 290.407 3.084 20 30 CGEDLP CCOc1cccc(/C=[NH+]\CCCC[N@@H+](C)C2CC2)c1O ZINC000840708388 635037962 /nfs/dbraw/zinc/03/79/62/635037962.db2.gz ANHBLNVYVKXYMY-AQTBWJFISA-N 2 2 290.407 3.084 20 30 CGEDLP CCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC001252120494 806008268 /nfs/dbraw/zinc/00/82/68/806008268.db2.gz XJPHOQNIHUZWAD-DLBZAZTESA-N 2 2 284.488 3.172 20 30 CGEDLP CCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC001252120494 806008275 /nfs/dbraw/zinc/00/82/75/806008275.db2.gz XJPHOQNIHUZWAD-DLBZAZTESA-N 2 2 284.488 3.172 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001253239560 806189783 /nfs/dbraw/zinc/18/97/83/806189783.db2.gz NQRGBLNNGDBMFA-SFHVURJKSA-N 2 2 296.499 3.290 20 30 CGEDLP C=CCCCCCC[C@H](O)C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001253239560 806189787 /nfs/dbraw/zinc/18/97/87/806189787.db2.gz NQRGBLNNGDBMFA-SFHVURJKSA-N 2 2 296.499 3.290 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000390714575 799472782 /nfs/dbraw/zinc/47/27/82/799472782.db2.gz BTLNTBLQTYEVEH-ZWKOTPCHSA-N 2 2 285.435 3.180 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390714575 799472786 /nfs/dbraw/zinc/47/27/86/799472786.db2.gz BTLNTBLQTYEVEH-ZWKOTPCHSA-N 2 2 285.435 3.180 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716624557 800177202 /nfs/dbraw/zinc/17/72/02/800177202.db2.gz IHLVLWWNHDNZAM-RDGPPVDQSA-N 2 2 297.446 3.321 20 30 CGEDLP CC[C@H](CC#N)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624557 800177206 /nfs/dbraw/zinc/17/72/06/800177206.db2.gz IHLVLWWNHDNZAM-RDGPPVDQSA-N 2 2 297.446 3.321 20 30 CGEDLP C=CC[N@H+](C1CCCCC1)C1CC[NH+](C2CC2)CC1 ZINC001256081958 806816045 /nfs/dbraw/zinc/81/60/45/806816045.db2.gz OXHFPYRTCWEEDW-UHFFFAOYSA-N 2 2 262.441 3.434 20 30 CGEDLP C=CC[N@@H+](C1CCCCC1)C1CC[NH+](C2CC2)CC1 ZINC001256081958 806816052 /nfs/dbraw/zinc/81/60/52/806816052.db2.gz OXHFPYRTCWEEDW-UHFFFAOYSA-N 2 2 262.441 3.434 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001246000474 804097598 /nfs/dbraw/zinc/09/75/98/804097598.db2.gz OSJHPUWJVXWFAR-BSDSXHPESA-N 2 2 296.499 3.361 20 30 CGEDLP C=C1C[C@@H]2CC([NH2+][C@H](C[NH3+])c3ccccc3)C[C@H](C1)C2 ZINC001246077589 804116073 /nfs/dbraw/zinc/11/60/73/804116073.db2.gz SVJLHHJCCFTQOQ-HLVPYZJISA-N 2 2 270.420 3.411 20 30 CGEDLP CCCCCCC[C@H](CCC)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC001246088108 804120159 /nfs/dbraw/zinc/12/01/59/804120159.db2.gz JOEUBMWMZHPADE-JKSUJKDBSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246088916 804120455 /nfs/dbraw/zinc/12/04/55/804120455.db2.gz MGKIDWQENHKJPM-IRXDYDNUSA-N 2 2 284.488 3.340 20 30 CGEDLP CCCCCCC[C@H](CC)[NH2+]C1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246133872 804158810 /nfs/dbraw/zinc/15/88/10/804158810.db2.gz KIRFYJVZNDTXJI-XYTVBORESA-N 2 2 282.472 3.235 20 30 CGEDLP CCCCCCC[C@H](C)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246335812 804290950 /nfs/dbraw/zinc/29/09/50/804290950.db2.gz ILHNCCXSOSHZPU-UONOGXRCSA-N 2 2 258.475 3.030 20 30 CGEDLP CCCC[C@@H]1C[C@H]([N@H+](CCC#N)C2CCCC2)CC[NH2+]1 ZINC001246771315 804504380 /nfs/dbraw/zinc/50/43/80/804504380.db2.gz YJUZIUQUSXJUPR-NVXWUHKLSA-N 2 2 277.456 3.455 20 30 CGEDLP CCCC[C@@H]1C[C@H]([N@@H+](CCC#N)C2CCCC2)CC[NH2+]1 ZINC001246771315 804504385 /nfs/dbraw/zinc/50/43/85/804504385.db2.gz YJUZIUQUSXJUPR-NVXWUHKLSA-N 2 2 277.456 3.455 20 30 CGEDLP CCCCCCC[C@@H](CC)[N@@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001246991044 804631980 /nfs/dbraw/zinc/63/19/80/804631980.db2.gz YDUVKOKAJXEBSE-SJORKVTESA-N 2 2 282.472 3.190 20 30 CGEDLP CCCCCCC[C@@H](CC)[N@H+]1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001246991044 804631981 /nfs/dbraw/zinc/63/19/81/804631981.db2.gz YDUVKOKAJXEBSE-SJORKVTESA-N 2 2 282.472 3.190 20 30 CGEDLP C=CCC[C@@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001258721687 807569984 /nfs/dbraw/zinc/56/99/84/807569984.db2.gz CPFRMYDKFDFPEV-OAHLLOKOSA-N 2 2 273.424 3.242 20 30 CGEDLP CC[NH+](CC)CCC[C@@H](C)[NH2+]C1(C#N)CCCCC1 ZINC001258899057 807668771 /nfs/dbraw/zinc/66/87/71/807668771.db2.gz CYZOMICFQHMMDY-OAHLLOKOSA-N 2 2 265.445 3.313 20 30 CGEDLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173591608 808648669 /nfs/dbraw/zinc/64/86/69/808648669.db2.gz NGTBKFQNDSLBAB-CKDBGZEDSA-N 2 2 277.456 3.169 20 30 CGEDLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173591608 808648673 /nfs/dbraw/zinc/64/86/73/808648673.db2.gz NGTBKFQNDSLBAB-CKDBGZEDSA-N 2 2 277.456 3.169 20 30 CGEDLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CC(C)(C)CCC#N ZINC001177476015 809799940 /nfs/dbraw/zinc/79/99/40/809799940.db2.gz VIXCWRYEASXXML-CABCVRRESA-N 2 2 265.445 3.026 20 30 CGEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CC(C)(C)CCC#N ZINC001177476015 809799942 /nfs/dbraw/zinc/79/99/42/809799942.db2.gz VIXCWRYEASXXML-CABCVRRESA-N 2 2 265.445 3.026 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC001177548991 809808876 /nfs/dbraw/zinc/80/88/76/809808876.db2.gz ZTIQGDWHEXEEMZ-ZACQAIPSSA-N 2 2 264.457 3.441 20 30 CGEDLP C=C(C)C[N@@H+](CC)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234074944 818772740 /nfs/dbraw/zinc/77/27/40/818772740.db2.gz DKZADDGZKIIANT-UHFFFAOYSA-N 2 2 285.391 3.279 20 30 CGEDLP C=C(C)C[N@H+](CC)Cc1ccc(-n2cc[nH+]c2)c(OC)c1 ZINC001234074944 818772747 /nfs/dbraw/zinc/77/27/47/818772747.db2.gz DKZADDGZKIIANT-UHFFFAOYSA-N 2 2 285.391 3.279 20 30 CGEDLP CCc1cc(C#N)ccc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237160894 819684834 /nfs/dbraw/zinc/68/48/34/819684834.db2.gz LTSJIZUSDLYGBD-LJQANCHMSA-N 2 2 297.446 3.227 20 30 CGEDLP CCc1cc(C#N)ccc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237160894 819684837 /nfs/dbraw/zinc/68/48/37/819684837.db2.gz LTSJIZUSDLYGBD-LJQANCHMSA-N 2 2 297.446 3.227 20 30 CGEDLP CC(C)C1=[NH+]CCc2ccc(C[N@@H+]3CC[C@@](C)(C#N)C3)cc21 ZINC001237890115 819872897 /nfs/dbraw/zinc/87/28/97/819872897.db2.gz RFBICYKLPIISQP-IBGZPJMESA-N 2 2 295.430 3.423 20 30 CGEDLP CC(C)C1=[NH+]CCc2ccc(C[N@H+]3CC[C@@](C)(C#N)C3)cc21 ZINC001237890115 819872908 /nfs/dbraw/zinc/87/29/08/819872908.db2.gz RFBICYKLPIISQP-IBGZPJMESA-N 2 2 295.430 3.423 20 30 CGEDLP Cc1cc(C#N)ccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242473749 823004748 /nfs/dbraw/zinc/00/47/48/823004748.db2.gz DYMJMWJVSHWKDF-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1cc(C#N)ccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242473749 823004752 /nfs/dbraw/zinc/00/47/52/823004752.db2.gz DYMJMWJVSHWKDF-GOSISDBHSA-N 2 2 291.398 3.067 20 30 CGEDLP N#Cc1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cs1 ZINC001461107880 937563909 /nfs/dbraw/zinc/56/39/09/937563909.db2.gz XLQPWVVHADMJNM-UHFFFAOYSA-N 2 2 294.383 3.095 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc(C(C)C)s2)CC1 ZINC001461161578 937566827 /nfs/dbraw/zinc/56/68/27/937566827.db2.gz TUKRKSROMGNYJA-UHFFFAOYSA-N 2 2 279.453 3.007 20 30 CGEDLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001323561671 934406624 /nfs/dbraw/zinc/40/66/24/934406624.db2.gz QDURUPPIICGEJA-XBMUEBEBSA-N 2 2 297.446 3.074 20 30 CGEDLP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001323561671 934406628 /nfs/dbraw/zinc/40/66/28/934406628.db2.gz QDURUPPIICGEJA-XBMUEBEBSA-N 2 2 297.446 3.074 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000651750594 398282133 /nfs/dbraw/zinc/28/21/33/398282133.db2.gz OUOUNRDMXPYVBC-CABCVRRESA-N 2 2 269.392 3.211 20 30 CGEDLP C=CC[C@H]1CC[C@H]([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000651752441 398282510 /nfs/dbraw/zinc/28/25/10/398282510.db2.gz GGWAXTXVOWRPMS-GJZGRUSLSA-N 2 2 259.397 3.218 20 30 CGEDLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CC(C)(C)CCC#N ZINC000174386471 346241269 /nfs/dbraw/zinc/24/12/69/346241269.db2.gz VAKXWDVWEGVBTN-HNNXBMFYSA-N 2 2 265.445 3.170 20 30 CGEDLP CC[C@H]1CCCC[N@H+]1CC[NH2+]CC(C)(C)CCC#N ZINC000174386471 346241271 /nfs/dbraw/zinc/24/12/71/346241271.db2.gz VAKXWDVWEGVBTN-HNNXBMFYSA-N 2 2 265.445 3.170 20 30 CGEDLP C=CCC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000358333342 346543844 /nfs/dbraw/zinc/54/38/44/346543844.db2.gz WRQHNXXLWWLKNP-BHYGNILZSA-N 2 2 258.409 3.234 20 30 CGEDLP C=CCC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000358333342 346543847 /nfs/dbraw/zinc/54/38/47/346543847.db2.gz WRQHNXXLWWLKNP-BHYGNILZSA-N 2 2 258.409 3.234 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623558 347329749 /nfs/dbraw/zinc/32/97/49/347329749.db2.gz TZWSIBSTHFOKAI-MRXNPFEDSA-N 2 2 294.402 3.306 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000598894861 347698179 /nfs/dbraw/zinc/69/81/79/347698179.db2.gz FKOJTEQXWGEIJK-INMHGKMJSA-N 2 2 273.424 3.207 20 30 CGEDLP CC(C)(CCC#N)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000598992019 347704396 /nfs/dbraw/zinc/70/43/96/347704396.db2.gz JFCGWORZTDVJHX-MRXNPFEDSA-N 2 2 277.456 3.313 20 30 CGEDLP CC(C)(CCC#N)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000598992019 347704397 /nfs/dbraw/zinc/70/43/97/347704397.db2.gz JFCGWORZTDVJHX-MRXNPFEDSA-N 2 2 277.456 3.313 20 30 CGEDLP CCC1([NH+]2CCCC2)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000602734332 348021044 /nfs/dbraw/zinc/02/10/44/348021044.db2.gz QCHRAGDAWBCUPX-UHFFFAOYSA-N 2 2 297.446 3.399 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000177910419 189078171 /nfs/dbraw/zinc/07/81/71/189078171.db2.gz WTVUJCVFFYBDOH-HNNXBMFYSA-N 2 2 258.409 3.296 20 30 CGEDLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1cccc(C#N)c1 ZINC000181867234 189308903 /nfs/dbraw/zinc/30/89/03/189308903.db2.gz IDBZYFLMQJEBLP-CQSZACIVSA-N 2 2 280.375 3.106 20 30 CGEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cccc(C#N)c1 ZINC000182683224 189331588 /nfs/dbraw/zinc/33/15/88/189331588.db2.gz KQCMKRXRGOBKQS-MRXNPFEDSA-N 2 2 293.414 3.168 20 30 CGEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cccc(C#N)c1 ZINC000182683224 189331589 /nfs/dbraw/zinc/33/15/89/189331589.db2.gz KQCMKRXRGOBKQS-MRXNPFEDSA-N 2 2 293.414 3.168 20 30 CGEDLP N#Cc1ccc2[nH+]cc(C[NH+]3CCC4(CCCC4)CC3)n2c1 ZINC000093085337 370107045 /nfs/dbraw/zinc/10/70/45/370107045.db2.gz GCHROSUGWBVCHI-UHFFFAOYSA-N 2 2 294.402 3.362 20 30 CGEDLP CC(C)[NH2+]C1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135185562 371398843 /nfs/dbraw/zinc/39/88/43/371398843.db2.gz UIGOVXDPRRYJLL-UHFFFAOYSA-N 2 2 299.462 3.450 20 30 CGEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449243909 373674952 /nfs/dbraw/zinc/67/49/52/373674952.db2.gz OERAXZGJYJSGOA-FUHWJXTLSA-N 2 2 299.462 3.364 20 30 CGEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449444463 373719097 /nfs/dbraw/zinc/71/90/97/373719097.db2.gz AOYAASVLBYRZIP-PBWTXFEYSA-N 2 2 297.446 3.494 20 30 CGEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000449444463 373719102 /nfs/dbraw/zinc/71/91/02/373719102.db2.gz AOYAASVLBYRZIP-PBWTXFEYSA-N 2 2 297.446 3.494 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CCC)c2cccnc2)CC1 ZINC000185383548 374652882 /nfs/dbraw/zinc/65/28/82/374652882.db2.gz NOJGWKUIVMLZIN-QGZVFWFLSA-N 2 2 273.424 3.163 20 30 CGEDLP Cn1c2ccccc2[nH+]c1CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185886138 374761663 /nfs/dbraw/zinc/76/16/63/374761663.db2.gz ZXLADAXQYCEQRO-GJZGRUSLSA-N 2 2 296.418 3.178 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189325673 375367328 /nfs/dbraw/zinc/36/73/28/375367328.db2.gz FQEPFZCQJLMUHF-UHFFFAOYSA-N 2 2 282.790 3.219 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000249085603 377459334 /nfs/dbraw/zinc/45/93/34/377459334.db2.gz BQEDSNOAPAZISC-RKVPGOIHSA-N 2 2 294.402 3.399 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000249085603 377459338 /nfs/dbraw/zinc/45/93/38/377459338.db2.gz BQEDSNOAPAZISC-RKVPGOIHSA-N 2 2 294.402 3.399 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177909517 542193584 /nfs/dbraw/zinc/19/35/84/542193584.db2.gz HJVMXBQEAFAVSP-QGZVFWFLSA-N 2 2 274.383 3.053 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000177909530 542193797 /nfs/dbraw/zinc/19/37/97/542193797.db2.gz HJVMXBQEAFAVSP-KRWDZBQOSA-N 2 2 274.383 3.053 20 30 CGEDLP C=C(C)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389846130 379902940 /nfs/dbraw/zinc/90/29/40/379902940.db2.gz QJZSENBOJSTAKE-DOTOQJQBSA-N 2 2 258.409 3.063 20 30 CGEDLP C=C(C)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389846130 379902951 /nfs/dbraw/zinc/90/29/51/379902951.db2.gz QJZSENBOJSTAKE-DOTOQJQBSA-N 2 2 258.409 3.063 20 30 CGEDLP N#Cc1ccc2[nH+]cc(CNc3cc(C4CC4)cc[nH+]3)n2c1 ZINC000353077660 380105477 /nfs/dbraw/zinc/10/54/77/380105477.db2.gz FPSZCQORIGJZMJ-UHFFFAOYSA-N 2 2 289.342 3.090 20 30 CGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000110034908 392377433 /nfs/dbraw/zinc/37/74/33/392377433.db2.gz PKBFFGKHHRMJME-UHFFFAOYSA-N 2 2 283.419 3.055 20 30 CGEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360818169 393594501 /nfs/dbraw/zinc/59/45/01/393594501.db2.gz FIKZJQMPCPHTRI-IEBWSBKVSA-N 2 2 297.446 3.400 20 30 CGEDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360818169 393594502 /nfs/dbraw/zinc/59/45/02/393594502.db2.gz FIKZJQMPCPHTRI-IEBWSBKVSA-N 2 2 297.446 3.400 20 30 CGEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131927790 287393170 /nfs/dbraw/zinc/39/31/70/287393170.db2.gz KYZWSUPMBZLZIZ-KSSFIOAISA-N 2 2 293.370 3.168 20 30 CGEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131927790 287393172 /nfs/dbraw/zinc/39/31/72/287393172.db2.gz KYZWSUPMBZLZIZ-KSSFIOAISA-N 2 2 293.370 3.168 20 30 CGEDLP C=CC[C@@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657496955 419294214 /nfs/dbraw/zinc/29/42/14/419294214.db2.gz SUQRQTXURMKAHT-INIZCTEOSA-N 2 2 281.403 3.106 20 30 CGEDLP C=C(CC)C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000313499095 260299789 /nfs/dbraw/zinc/29/97/89/260299789.db2.gz OBUNKKJRBZTKLJ-UHFFFAOYSA-N 2 2 255.365 3.237 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@H+](Cc2ccccc2)C1 ZINC000425346651 264018455 /nfs/dbraw/zinc/01/84/55/264018455.db2.gz BYNIRODQXHVVQD-LULLPPNCSA-N 2 2 297.446 3.179 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000425346651 264018456 /nfs/dbraw/zinc/01/84/56/264018456.db2.gz BYNIRODQXHVVQD-LULLPPNCSA-N 2 2 297.446 3.179 20 30 CGEDLP N#CC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC1 ZINC000418137193 267370794 /nfs/dbraw/zinc/37/07/94/267370794.db2.gz DIRYQVIKYWNIPS-UHFFFAOYSA-N 2 2 275.440 3.067 20 30 CGEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365677037 278306269 /nfs/dbraw/zinc/30/62/69/278306269.db2.gz KYZWSUPMBZLZIZ-RDTXWAMCSA-N 2 2 293.370 3.168 20 30 CGEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365677037 278306272 /nfs/dbraw/zinc/30/62/72/278306272.db2.gz KYZWSUPMBZLZIZ-RDTXWAMCSA-N 2 2 293.370 3.168 20 30 CGEDLP C=CCCC[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000340732681 328399535 /nfs/dbraw/zinc/39/95/35/328399535.db2.gz AXYCOLISWTZFSD-JKSUJKDBSA-N 2 2 250.430 3.291 20 30 CGEDLP C=CCCC[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000340732681 328399536 /nfs/dbraw/zinc/39/95/36/328399536.db2.gz AXYCOLISWTZFSD-JKSUJKDBSA-N 2 2 250.430 3.291 20 30 CGEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000184084492 329255782 /nfs/dbraw/zinc/25/57/82/329255782.db2.gz JWDUFEZQCKTCAH-ZOBUZTSGSA-N 2 2 277.456 3.311 20 30 CGEDLP C=C(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)c(F)c1 ZINC000423046355 330166953 /nfs/dbraw/zinc/16/69/53/330166953.db2.gz DJNANADFCZSTBZ-CKQIIDDLSA-N 2 2 292.373 3.455 20 30 CGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423415302 330197631 /nfs/dbraw/zinc/19/76/31/330197631.db2.gz DKTDVTGSPDNFSJ-JJRVBVJISA-N 2 2 258.409 3.064 20 30 CGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424192641 330323812 /nfs/dbraw/zinc/32/38/12/330323812.db2.gz JKZJCILCUIJNQO-CYGHRXIMSA-N 2 2 283.419 3.104 20 30 CGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424192641 330323813 /nfs/dbraw/zinc/32/38/13/330323813.db2.gz JKZJCILCUIJNQO-CYGHRXIMSA-N 2 2 283.419 3.104 20 30 CGEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000424285352 330334110 /nfs/dbraw/zinc/33/41/10/330334110.db2.gz DPQGNINBSYDDMS-HFTRVMKXSA-N 2 2 297.402 3.114 20 30 CGEDLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449085107 330898064 /nfs/dbraw/zinc/89/80/64/330898064.db2.gz KIYICRRZJCZYDB-XBMUEBEBSA-N 2 2 299.462 3.221 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)C[N@@H+]1Cc1ccccc1 ZINC000459730189 331296356 /nfs/dbraw/zinc/29/63/56/331296356.db2.gz LNYAVXIXFIXFEE-DOTOQJQBSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)C[N@H+]1Cc1ccccc1 ZINC000459730189 331296357 /nfs/dbraw/zinc/29/63/57/331296357.db2.gz LNYAVXIXFIXFEE-DOTOQJQBSA-N 2 2 285.435 3.179 20 30 CGEDLP CCCCCCCC[C@@H]([NH3+])c1nc(C2([NH3+])CCC2)no1 ZINC000900008901 620745225 /nfs/dbraw/zinc/74/52/25/620745225.db2.gz QPPUKDFAXYLWEW-GFCCVEGCSA-N 2 2 280.416 3.158 20 30 CGEDLP C[C@@H](CCC#N)CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111206 619734917 /nfs/dbraw/zinc/73/49/17/619734917.db2.gz BSPAOTNXGDUMHL-JYJNAYRXSA-N 2 2 286.423 3.098 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000903220903 621633591 /nfs/dbraw/zinc/63/35/91/621633591.db2.gz RCIJESXPRIZPLP-HIFRSBDPSA-N 2 2 293.480 3.429 20 30 CGEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nc(C[NH+](C)C)cs1 ZINC000903220901 621634496 /nfs/dbraw/zinc/63/44/96/621634496.db2.gz RCIJESXPRIZPLP-DZGCQCFKSA-N 2 2 293.480 3.429 20 30 CGEDLP C#CCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000761312526 627031851 /nfs/dbraw/zinc/03/18/51/627031851.db2.gz YWWYTENKHXRYTP-QGZVFWFLSA-N 2 2 270.420 3.043 20 30 CGEDLP C#CCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000761312526 627031852 /nfs/dbraw/zinc/03/18/52/627031852.db2.gz YWWYTENKHXRYTP-QGZVFWFLSA-N 2 2 270.420 3.043 20 30 CGEDLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000774207051 627963192 /nfs/dbraw/zinc/96/31/92/627963192.db2.gz FQMNHLUADMHLSI-WMLDXEAASA-N 2 2 271.408 3.083 20 30 CGEDLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000774207051 627963200 /nfs/dbraw/zinc/96/32/00/627963200.db2.gz FQMNHLUADMHLSI-WMLDXEAASA-N 2 2 271.408 3.083 20 30 CGEDLP C[NH+](C)C1(C)CCC(/[NH+]=C\c2ccccc2O)CC1 ZINC000864346780 629815090 /nfs/dbraw/zinc/81/50/90/629815090.db2.gz DQMFVVROJQJKHV-ATVHPVEESA-N 2 2 260.381 3.074 20 30 CGEDLP CC1([NH+]2CCCCC2)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000877795873 635207144 /nfs/dbraw/zinc/20/71/44/635207144.db2.gz YTVOFBOPNMUHIT-UHFFFAOYSA-N 2 2 297.446 3.399 20 30 CGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000925139908 638458956 /nfs/dbraw/zinc/45/89/56/638458956.db2.gz DWBKUCHTNIKHHV-HNNXBMFYSA-N 2 2 299.462 3.004 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000925139910 638459235 /nfs/dbraw/zinc/45/92/35/638459235.db2.gz DWBKUCHTNIKHHV-OAHLLOKOSA-N 2 2 299.462 3.004 20 30 CGEDLP C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927105942 638842678 /nfs/dbraw/zinc/84/26/78/638842678.db2.gz MOIDFVRYEQHGFH-WMZOPIPTSA-N 2 2 294.483 3.354 20 30 CGEDLP C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927105942 638842679 /nfs/dbraw/zinc/84/26/79/638842679.db2.gz MOIDFVRYEQHGFH-WMZOPIPTSA-N 2 2 294.483 3.354 20 30 CGEDLP C[C@H]1CCCC[N@@H+]1CCCNc1[nH+]ccc2[nH]cc(C#N)c21 ZINC001156927429 805754644 /nfs/dbraw/zinc/75/46/44/805754644.db2.gz CYBFMUGGXFSGML-ZDUSSCGKSA-N 2 2 297.406 3.111 20 30 CGEDLP C[C@H]1CCCC[N@H+]1CCCNc1[nH+]ccc2[nH]cc(C#N)c21 ZINC001156927429 805754649 /nfs/dbraw/zinc/75/46/49/805754649.db2.gz CYBFMUGGXFSGML-ZDUSSCGKSA-N 2 2 297.406 3.111 20 30 CGEDLP CC[C@@H](CC#N)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001255163131 806561377 /nfs/dbraw/zinc/56/13/77/806561377.db2.gz CFIUBCXYLWBALL-NEWSRXKRSA-N 2 2 299.462 3.426 20 30 CGEDLP CC[C@@H](CC#N)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001255163131 806561382 /nfs/dbraw/zinc/56/13/82/806561382.db2.gz CFIUBCXYLWBALL-NEWSRXKRSA-N 2 2 299.462 3.426 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000380929509 799369808 /nfs/dbraw/zinc/36/98/08/799369808.db2.gz NUFXVRPJUGMZPM-LBPRGKRZSA-N 2 2 282.790 3.085 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000380929509 799369813 /nfs/dbraw/zinc/36/98/13/799369813.db2.gz NUFXVRPJUGMZPM-LBPRGKRZSA-N 2 2 282.790 3.085 20 30 CGEDLP C=CCCCCCC[C@H](O)C[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001245971583 804091877 /nfs/dbraw/zinc/09/18/77/804091877.db2.gz BBFOXZQOHQPNER-ROUUACIJSA-N 2 2 290.451 3.164 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001245988844 804094675 /nfs/dbraw/zinc/09/46/75/804094675.db2.gz XIENJAFJLUGFSQ-DLBZAZTESA-N 2 2 296.499 3.220 20 30 CGEDLP CCCCCCC[C@@H](CC)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246104509 804137016 /nfs/dbraw/zinc/13/70/16/804137016.db2.gz BEAJVDVGUWMXIJ-ILXRZTDVSA-N 2 2 258.425 3.415 20 30 CGEDLP CCCCCCCCC[C@@H](C)[NH2+][C@H]1C[NH2+]CCOC1 ZINC001246093548 804125567 /nfs/dbraw/zinc/12/55/67/804125567.db2.gz OKUYBLFEWBJDNT-CVEARBPZSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCC[C@H](CCC)[NH2+][C@H](C)[C@H]1C[NH2+]CCO1 ZINC001246297577 804264121 /nfs/dbraw/zinc/26/41/21/804264121.db2.gz WDBJFPXSAMSCDT-IXDOHACOSA-N 2 2 284.488 3.482 20 30 CGEDLP CCCCCCCCC[C@H](C)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246562189 804411357 /nfs/dbraw/zinc/41/13/57/804411357.db2.gz YYHVRJCHUSWLFA-IRXDYDNUSA-N 2 2 284.488 3.436 20 30 CGEDLP CCCCCCCCC[C@H](C)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246562189 804411359 /nfs/dbraw/zinc/41/13/59/804411359.db2.gz YYHVRJCHUSWLFA-IRXDYDNUSA-N 2 2 284.488 3.436 20 30 CGEDLP CCCCCCC[C@H](C)[N@@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246649846 804477169 /nfs/dbraw/zinc/47/71/69/804477169.db2.gz QEDAYQBATMUZAV-IRXDYDNUSA-N 2 2 282.472 3.190 20 30 CGEDLP CCCCCCC[C@H](C)[N@H+]1CCC[C@]2(C[NH2+]CCO2)C1 ZINC001246649846 804477171 /nfs/dbraw/zinc/47/71/71/804477171.db2.gz QEDAYQBATMUZAV-IRXDYDNUSA-N 2 2 282.472 3.190 20 30 CGEDLP CCCC[C@@H]1C[C@@H]([N@H+](CCC#N)C2CCCC2)CC[NH2+]1 ZINC001246771317 804505034 /nfs/dbraw/zinc/50/50/34/804505034.db2.gz YJUZIUQUSXJUPR-WBVHZDCISA-N 2 2 277.456 3.455 20 30 CGEDLP CCCC[C@@H]1C[C@@H]([N@@H+](CCC#N)C2CCCC2)CC[NH2+]1 ZINC001246771317 804505037 /nfs/dbraw/zinc/50/50/37/804505037.db2.gz YJUZIUQUSXJUPR-WBVHZDCISA-N 2 2 277.456 3.455 20 30 CGEDLP C=CCC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001258716873 807566736 /nfs/dbraw/zinc/56/67/36/807566736.db2.gz DXOZBSZJOMMITP-AWEZNQCLSA-N 2 2 255.365 3.317 20 30 CGEDLP CC1(C)C[C@@H]([NH+]2CC(CC#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171976884 808163987 /nfs/dbraw/zinc/16/39/87/808163987.db2.gz OFVQOMUTQONIKC-SFHVURJKSA-N 2 2 297.446 3.275 20 30 CGEDLP CC1(C)C[C@@H]([NH+]2CC(CC#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976884 808163989 /nfs/dbraw/zinc/16/39/89/808163989.db2.gz OFVQOMUTQONIKC-SFHVURJKSA-N 2 2 297.446 3.275 20 30 CGEDLP C=C[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccccc1 ZINC001172248727 808209936 /nfs/dbraw/zinc/20/99/36/808209936.db2.gz FATWTOOPPBSIAC-GOSISDBHSA-N 2 2 288.435 3.004 20 30 CGEDLP CC[NH+](CC)C1CCC([N@@H+]2CCCC[C@@H]2C#N)CC1 ZINC001173114874 808514542 /nfs/dbraw/zinc/51/45/42/808514542.db2.gz UVFBPJOQUABCCX-UYSNPLJNSA-N 2 2 263.429 3.017 20 30 CGEDLP CC[NH+](CC)C1CCC([N@H+]2CCCC[C@@H]2C#N)CC1 ZINC001173114874 808514544 /nfs/dbraw/zinc/51/45/44/808514544.db2.gz UVFBPJOQUABCCX-UYSNPLJNSA-N 2 2 263.429 3.017 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Cl)c(C)c1Cl ZINC001178827248 809889937 /nfs/dbraw/zinc/88/99/37/809889937.db2.gz NMVHFMCLIIMIAQ-UHFFFAOYSA-N 2 2 299.245 3.347 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)c(C)c1Cl ZINC001178827248 809889940 /nfs/dbraw/zinc/88/99/40/809889940.db2.gz NMVHFMCLIIMIAQ-UHFFFAOYSA-N 2 2 299.245 3.347 20 30 CGEDLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001204772442 812732348 /nfs/dbraw/zinc/73/23/48/812732348.db2.gz VQHMVJTZSYMVQW-HXUWFJFHSA-N 2 2 290.410 3.010 20 30 CGEDLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001204772442 812732354 /nfs/dbraw/zinc/73/23/54/812732354.db2.gz VQHMVJTZSYMVQW-HXUWFJFHSA-N 2 2 290.410 3.010 20 30 CGEDLP C=CCOc1cccc(C[N@@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236467388 819488314 /nfs/dbraw/zinc/48/83/14/819488314.db2.gz CRMOEUIREUTNAR-QGZVFWFLSA-N 2 2 288.435 3.214 20 30 CGEDLP C=CCOc1cccc(C[N@H+](C(C)C)[C@@H]2CCC[NH2+]C2)c1 ZINC001236467388 819488319 /nfs/dbraw/zinc/48/83/19/819488319.db2.gz CRMOEUIREUTNAR-QGZVFWFLSA-N 2 2 288.435 3.214 20 30 CGEDLP C=CCC[C@@H](CC)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC001560929709 937238568 /nfs/dbraw/zinc/23/85/68/937238568.db2.gz GYXXURRYGSIPEX-JKSUJKDBSA-N 2 2 252.446 3.441 20 30 CGEDLP C=CCC[C@@H](CC)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC001560929708 938284659 /nfs/dbraw/zinc/28/46/59/938284659.db2.gz GYXXURRYGSIPEX-HZPDHXFCSA-N 2 2 252.446 3.441 20 30 CGEDLP C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H]([NH3+])CC(F)F ZINC001574836438 962321700 /nfs/dbraw/zinc/32/17/00/962321700.db2.gz NCVLFFBUNFUOEW-AWEZNQCLSA-N 2 2 268.351 3.047 20 30 CGEDLP C=C(C)C[N@H+](Cc1ccccc1)C[C@@H]([NH3+])CC(F)F ZINC001574836438 962321718 /nfs/dbraw/zinc/32/17/18/962321718.db2.gz NCVLFFBUNFUOEW-AWEZNQCLSA-N 2 2 268.351 3.047 20 30 CGEDLP CC1(C)C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@@H+]1Cc1ccccc1 ZINC000591639841 346931443 /nfs/dbraw/zinc/93/14/43/346931443.db2.gz RXFWBRPYZAZCJA-RCCFBDPRSA-N 2 2 297.446 3.321 20 30 CGEDLP CC1(C)C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[N@H+]1Cc1ccccc1 ZINC000591639841 346931446 /nfs/dbraw/zinc/93/14/46/346931446.db2.gz RXFWBRPYZAZCJA-RCCFBDPRSA-N 2 2 297.446 3.321 20 30 CGEDLP C=CCC[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593701015 347105459 /nfs/dbraw/zinc/10/54/59/347105459.db2.gz ASOWLQYCCNZZEG-INIZCTEOSA-N 2 2 297.446 3.467 20 30 CGEDLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494378 347177951 /nfs/dbraw/zinc/17/79/51/347177951.db2.gz YSAFRTRAKQXGLV-QGZVFWFLSA-N 2 2 285.435 3.062 20 30 CGEDLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494378 347177955 /nfs/dbraw/zinc/17/79/55/347177955.db2.gz YSAFRTRAKQXGLV-QGZVFWFLSA-N 2 2 285.435 3.062 20 30 CGEDLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1(C#N)CCCCC1 ZINC000594740615 347215934 /nfs/dbraw/zinc/21/59/34/347215934.db2.gz ZWHGANLOIOCBKN-JKSUJKDBSA-N 2 2 277.456 3.361 20 30 CGEDLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595057322 347272906 /nfs/dbraw/zinc/27/29/06/347272906.db2.gz XBAVYUVINYHXAM-IRXDYDNUSA-N 2 2 285.435 3.472 20 30 CGEDLP CC[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595057322 347272910 /nfs/dbraw/zinc/27/29/10/347272910.db2.gz XBAVYUVINYHXAM-IRXDYDNUSA-N 2 2 285.435 3.472 20 30 CGEDLP Cc1c[nH+]ccc1CC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595633240 347330195 /nfs/dbraw/zinc/33/01/95/347330195.db2.gz PUAYNTYTZMQIFD-UHFFFAOYSA-N 2 2 279.387 3.329 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000602665182 348004437 /nfs/dbraw/zinc/00/44/37/348004437.db2.gz SSACBXRUKGLSEF-JFIYKMOQSA-N 2 2 285.435 3.179 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000602665182 348004441 /nfs/dbraw/zinc/00/44/41/348004441.db2.gz SSACBXRUKGLSEF-JFIYKMOQSA-N 2 2 285.435 3.179 20 30 CGEDLP CC(C)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000610859472 348406311 /nfs/dbraw/zinc/40/63/11/348406311.db2.gz UZZLNULNBNPBDW-QGZVFWFLSA-N 2 2 299.462 3.450 20 30 CGEDLP CC(C)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000610859472 348406313 /nfs/dbraw/zinc/40/63/13/348406313.db2.gz UZZLNULNBNPBDW-QGZVFWFLSA-N 2 2 299.462 3.450 20 30 CGEDLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)c1cccc(C#N)c1 ZINC000611278561 348434946 /nfs/dbraw/zinc/43/49/46/348434946.db2.gz JSNWSVUQGFSKNS-ZDUSSCGKSA-N 2 2 276.343 3.057 20 30 CGEDLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(C#N)cc1F ZINC000358571163 233156571 /nfs/dbraw/zinc/15/65/71/233156571.db2.gz OLMDPUCHFNWHHU-ZDUSSCGKSA-N 2 2 298.365 3.245 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000618568468 349107453 /nfs/dbraw/zinc/10/74/53/349107453.db2.gz WFLNRPWLOVZDIV-MSOLQXFVSA-N 2 2 283.419 3.083 20 30 CGEDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000618568468 349107454 /nfs/dbraw/zinc/10/74/54/349107454.db2.gz WFLNRPWLOVZDIV-MSOLQXFVSA-N 2 2 283.419 3.083 20 30 CGEDLP C=CC[C@@H]1CC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000625701887 350199835 /nfs/dbraw/zinc/19/98/35/350199835.db2.gz LYCUTKSZKPQBTH-HZPDHXFCSA-N 2 2 250.430 3.147 20 30 CGEDLP C=CC[C@@H]1CC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000625701887 350199837 /nfs/dbraw/zinc/19/98/37/350199837.db2.gz LYCUTKSZKPQBTH-HZPDHXFCSA-N 2 2 250.430 3.147 20 30 CGEDLP C=CC[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000625701887 350199839 /nfs/dbraw/zinc/19/98/39/350199839.db2.gz LYCUTKSZKPQBTH-HZPDHXFCSA-N 2 2 250.430 3.147 20 30 CGEDLP C=CC[C@@H]1CC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000625701887 350199841 /nfs/dbraw/zinc/19/98/41/350199841.db2.gz LYCUTKSZKPQBTH-HZPDHXFCSA-N 2 2 250.430 3.147 20 30 CGEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271435568 191137594 /nfs/dbraw/zinc/13/75/94/191137594.db2.gz COXXMSDZRHYFDQ-XJKSGUPXSA-N 2 2 278.827 3.239 20 30 CGEDLP C=C(Cl)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000271435568 191137596 /nfs/dbraw/zinc/13/75/96/191137596.db2.gz COXXMSDZRHYFDQ-XJKSGUPXSA-N 2 2 278.827 3.239 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(OC)cc2)CC1 ZINC000177908094 189078379 /nfs/dbraw/zinc/07/83/79/189078379.db2.gz WLCOMJPHMKNFMF-SFHVURJKSA-N 2 2 288.435 3.386 20 30 CGEDLP C=CCOc1cccc(C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000179833427 189223075 /nfs/dbraw/zinc/22/30/75/189223075.db2.gz WDCOEIIKQWFPHD-UHFFFAOYSA-N 2 2 288.435 3.214 20 30 CGEDLP CCC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC000183160870 189348667 /nfs/dbraw/zinc/34/86/67/189348667.db2.gz GQWPVGNGKAFWCM-UHFFFAOYSA-N 2 2 282.391 3.057 20 30 CGEDLP CCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C#N)cc1 ZINC000183160870 189348668 /nfs/dbraw/zinc/34/86/68/189348668.db2.gz GQWPVGNGKAFWCM-UHFFFAOYSA-N 2 2 282.391 3.057 20 30 CGEDLP C=CCC[C@@H]([NH2+]C[C@H](C)[NH+]1CCC(C)CC1)C1CC1 ZINC000439083660 372973321 /nfs/dbraw/zinc/97/33/21/372973321.db2.gz CZSSJOFCHJYSTA-DOTOQJQBSA-N 2 2 264.457 3.441 20 30 CGEDLP C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@@H+]1CCCC[C@H]1C ZINC000449079767 373660663 /nfs/dbraw/zinc/66/06/63/373660663.db2.gz PVBWTITZOQARHJ-XNIRIUNOSA-N 2 2 277.456 3.311 20 30 CGEDLP C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@H+]1CCCC[C@H]1C ZINC000449079767 373660668 /nfs/dbraw/zinc/66/06/68/373660668.db2.gz PVBWTITZOQARHJ-XNIRIUNOSA-N 2 2 277.456 3.311 20 30 CGEDLP C=C(C)[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000186455192 374855693 /nfs/dbraw/zinc/85/56/93/374855693.db2.gz GHVIMEIEWSAEFC-MRXNPFEDSA-N 2 2 280.362 3.266 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000493708946 375478694 /nfs/dbraw/zinc/47/86/94/375478694.db2.gz RZQYVIRSWSAJJI-KKUMJFAQSA-N 2 2 250.430 3.336 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000493708946 375478700 /nfs/dbraw/zinc/47/87/00/375478700.db2.gz RZQYVIRSWSAJJI-KKUMJFAQSA-N 2 2 250.430 3.336 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(CC)s2)CC1 ZINC000518798092 375831663 /nfs/dbraw/zinc/83/16/63/375831663.db2.gz JWQVYPNMFNNDSH-UHFFFAOYSA-N 2 2 278.465 3.441 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000337993163 376251488 /nfs/dbraw/zinc/25/14/88/376251488.db2.gz RZBUDYGNQTVONC-ZBFHGGJFSA-N 2 2 268.420 3.145 20 30 CGEDLP C=CC[C@@H](C)[C@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000156307590 542127907 /nfs/dbraw/zinc/12/79/07/542127907.db2.gz QHAMDFAMDQWGFD-HIFRSBDPSA-N 2 2 271.408 3.376 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000562040529 377269205 /nfs/dbraw/zinc/26/92/05/377269205.db2.gz AAYXZZFVYMZHSA-LSDHHAIUSA-N 2 2 250.430 3.051 20 30 CGEDLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]CCC#N)C1 ZINC000577858883 378018183 /nfs/dbraw/zinc/01/81/83/378018183.db2.gz CGKHBNFQMCCCMP-HZPDHXFCSA-N 2 2 285.435 3.168 20 30 CGEDLP C=CCOc1ccccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000343625546 378045942 /nfs/dbraw/zinc/04/59/42/378045942.db2.gz SBFXQSCAIAVERO-UHFFFAOYSA-N 2 2 288.435 3.169 20 30 CGEDLP C=CCOc1ccccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000343625546 378045949 /nfs/dbraw/zinc/04/59/49/378045949.db2.gz SBFXQSCAIAVERO-UHFFFAOYSA-N 2 2 288.435 3.169 20 30 CGEDLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352484156 379832019 /nfs/dbraw/zinc/83/20/19/379832019.db2.gz MEFNZJNMPSRRFV-UHFFFAOYSA-N 2 2 298.365 3.008 20 30 CGEDLP C=C(CC)C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389813692 379902374 /nfs/dbraw/zinc/90/23/74/379902374.db2.gz HNIOKVWHVVWVQV-RDJZCZTQSA-N 2 2 258.409 3.063 20 30 CGEDLP C=C(CC)C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389813692 379902378 /nfs/dbraw/zinc/90/23/78/379902378.db2.gz HNIOKVWHVVWVQV-RDJZCZTQSA-N 2 2 258.409 3.063 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2C)CC1 ZINC000414082613 380190052 /nfs/dbraw/zinc/19/00/52/380190052.db2.gz FRGWAGXQXNNGJY-HNNXBMFYSA-N 2 2 288.435 3.305 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414110629 380191000 /nfs/dbraw/zinc/19/10/00/380191000.db2.gz IHAPKLSCDZHUHG-JKSUJKDBSA-N 2 2 294.483 3.209 20 30 CGEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000414310877 380213308 /nfs/dbraw/zinc/21/33/08/380213308.db2.gz XHXZGCMEJGLDKV-CGTJXYLNSA-N 2 2 284.447 3.389 20 30 CGEDLP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000414310877 380213314 /nfs/dbraw/zinc/21/33/14/380213314.db2.gz XHXZGCMEJGLDKV-CGTJXYLNSA-N 2 2 284.447 3.389 20 30 CGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000354221982 380366931 /nfs/dbraw/zinc/36/69/31/380366931.db2.gz IFAQURXDFWXAAM-CXAGYDPISA-N 2 2 289.398 3.002 20 30 CGEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000354221982 380366939 /nfs/dbraw/zinc/36/69/39/380366939.db2.gz IFAQURXDFWXAAM-CXAGYDPISA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000354221982 380366943 /nfs/dbraw/zinc/36/69/43/380366943.db2.gz IFAQURXDFWXAAM-CXAGYDPISA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C[C@H]1C ZINC000354221982 380366952 /nfs/dbraw/zinc/36/69/52/380366952.db2.gz IFAQURXDFWXAAM-CXAGYDPISA-N 2 2 289.398 3.002 20 30 CGEDLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(C#N)cc1F ZINC000423266470 533510595 /nfs/dbraw/zinc/51/05/95/533510595.db2.gz SCXRLDMAGYDMOQ-PXAZEXFGSA-N 2 2 289.398 3.256 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191273225 130212906 /nfs/dbraw/zinc/21/29/06/130212906.db2.gz RWVHFMMXVGYTSP-AWEZNQCLSA-N 2 2 290.455 3.073 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000283371980 392303592 /nfs/dbraw/zinc/30/35/92/392303592.db2.gz OBFQBKKISUEKAI-SNRMKQJTSA-N 2 2 284.447 3.419 20 30 CGEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000119991632 392398689 /nfs/dbraw/zinc/39/86/89/392398689.db2.gz INUQZDDNBUOXER-OAHLLOKOSA-N 2 2 288.439 3.005 20 30 CGEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000119991632 392398693 /nfs/dbraw/zinc/39/86/93/392398693.db2.gz INUQZDDNBUOXER-OAHLLOKOSA-N 2 2 288.439 3.005 20 30 CGEDLP C[C@@H]1[C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCC[N@@H+]1C ZINC000360882060 393605524 /nfs/dbraw/zinc/60/55/24/393605524.db2.gz CNOXXAAGPDJHEN-CCKFTAQKSA-N 2 2 297.446 3.398 20 30 CGEDLP C[C@@H]1[C@@H]([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CCC[N@H+]1C ZINC000360882060 393605528 /nfs/dbraw/zinc/60/55/28/393605528.db2.gz CNOXXAAGPDJHEN-CCKFTAQKSA-N 2 2 297.446 3.398 20 30 CGEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCC[N@@H+]1C ZINC000360882062 393605602 /nfs/dbraw/zinc/60/56/02/393605602.db2.gz CNOXXAAGPDJHEN-NIKGAXFTSA-N 2 2 297.446 3.398 20 30 CGEDLP C[C@@H]1[C@H]([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CCC[N@H+]1C ZINC000360882062 393605605 /nfs/dbraw/zinc/60/56/05/393605605.db2.gz CNOXXAAGPDJHEN-NIKGAXFTSA-N 2 2 297.446 3.398 20 30 CGEDLP Clc1ccccc1C#CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676714510 543412284 /nfs/dbraw/zinc/41/22/84/543412284.db2.gz LDJYXOZVDQHGOU-INIZCTEOSA-N 2 2 299.805 3.225 20 30 CGEDLP Clc1ccccc1C#CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676714510 543412286 /nfs/dbraw/zinc/41/22/86/543412286.db2.gz LDJYXOZVDQHGOU-INIZCTEOSA-N 2 2 299.805 3.225 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000657527651 419299024 /nfs/dbraw/zinc/29/90/24/419299024.db2.gz XCJALLUBFGVJSA-QLFBSQMISA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000657527651 419299027 /nfs/dbraw/zinc/29/90/27/419299027.db2.gz XCJALLUBFGVJSA-QLFBSQMISA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657876695 419399400 /nfs/dbraw/zinc/39/94/00/419399400.db2.gz ZLIGFRWYCJSHPI-PMPSAXMXSA-N 2 2 262.441 3.051 20 30 CGEDLP C=C(CC)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000313504723 260299519 /nfs/dbraw/zinc/29/95/19/260299519.db2.gz XCYBELJGTYPHAB-CQSZACIVSA-N 2 2 255.365 3.489 20 30 CGEDLP C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000449082801 261264673 /nfs/dbraw/zinc/26/46/73/261264673.db2.gz PXCDTZZZNPDDQT-XNIRIUNOSA-N 2 2 277.456 3.169 20 30 CGEDLP C[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000449082801 261264675 /nfs/dbraw/zinc/26/46/75/261264675.db2.gz PXCDTZZZNPDDQT-XNIRIUNOSA-N 2 2 277.456 3.169 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192605096 262206031 /nfs/dbraw/zinc/20/60/31/262206031.db2.gz XTNGEJRWJAABTI-JKSUJKDBSA-N 2 2 296.418 3.407 20 30 CGEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC(C)(C)CCC#N ZINC000289830986 263112295 /nfs/dbraw/zinc/11/22/95/263112295.db2.gz OTDIUJSMOBKNDN-UHFFFAOYSA-N 2 2 291.439 3.363 20 30 CGEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC(C)(C)CCC#N ZINC000289830986 263112296 /nfs/dbraw/zinc/11/22/96/263112296.db2.gz OTDIUJSMOBKNDN-UHFFFAOYSA-N 2 2 291.439 3.363 20 30 CGEDLP C[NH+](CCC[N@H+](C)CC(C)(C)CCC#N)Cc1ccco1 ZINC000289830986 263112297 /nfs/dbraw/zinc/11/22/97/263112297.db2.gz OTDIUJSMOBKNDN-UHFFFAOYSA-N 2 2 291.439 3.363 20 30 CGEDLP C[NH+](CCC[N@@H+](C)CC(C)(C)CCC#N)Cc1ccco1 ZINC000289830986 263112298 /nfs/dbraw/zinc/11/22/98/263112298.db2.gz OTDIUJSMOBKNDN-UHFFFAOYSA-N 2 2 291.439 3.363 20 30 CGEDLP CC[NH+](CC)CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000299325037 263239952 /nfs/dbraw/zinc/23/99/52/263239952.db2.gz GSRQHDICGCSBLY-UHFFFAOYSA-N 2 2 299.462 3.322 20 30 CGEDLP C=CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000161246489 264279382 /nfs/dbraw/zinc/27/93/82/264279382.db2.gz QKWNDYBQPDUZKV-UHFFFAOYSA-N 2 2 299.418 3.360 20 30 CGEDLP C=CC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000161246489 264279384 /nfs/dbraw/zinc/27/93/84/264279384.db2.gz QKWNDYBQPDUZKV-UHFFFAOYSA-N 2 2 299.418 3.360 20 30 CGEDLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000571733778 322306390 /nfs/dbraw/zinc/30/63/90/322306390.db2.gz CWVRLPFCMIJUKZ-HNAYVOBHSA-N 2 2 297.446 3.257 20 30 CGEDLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000571733778 322306392 /nfs/dbraw/zinc/30/63/92/322306392.db2.gz CWVRLPFCMIJUKZ-HNAYVOBHSA-N 2 2 297.446 3.257 20 30 CGEDLP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[NH+](C)C)cc1 ZINC000248836348 329900431 /nfs/dbraw/zinc/90/04/31/329900431.db2.gz NBMJVIVEHVIGLF-NXHRZFHOSA-N 2 2 285.435 3.270 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)ccc2OC)CC1 ZINC000106245789 330333842 /nfs/dbraw/zinc/33/38/42/330333842.db2.gz XJKPTURKXYWMPM-UHFFFAOYSA-N 2 2 288.435 3.134 20 30 CGEDLP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000442642487 330777927 /nfs/dbraw/zinc/77/79/27/330777927.db2.gz DRVOJTJLWLTIET-ILXRZTDVSA-N 2 2 289.448 3.167 20 30 CGEDLP CC(C)(CC#N)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000459733406 331296676 /nfs/dbraw/zinc/29/66/76/331296676.db2.gz PYNXPXSGNLROKN-QGZVFWFLSA-N 2 2 285.435 3.180 20 30 CGEDLP CC(C)(CC#N)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459733406 331296677 /nfs/dbraw/zinc/29/66/77/331296677.db2.gz PYNXPXSGNLROKN-QGZVFWFLSA-N 2 2 285.435 3.180 20 30 CGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000577584709 335373436 /nfs/dbraw/zinc/37/34/36/335373436.db2.gz WAEOXGZBPPBHQT-XMTFNYHQSA-N 2 2 294.483 3.231 20 30 CGEDLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1F ZINC000075860029 522935074 /nfs/dbraw/zinc/93/50/74/522935074.db2.gz UPFMPEUVSCUYSH-MRXNPFEDSA-N 2 2 289.398 3.004 20 30 CGEDLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(C#N)cc1F ZINC000075860029 522935083 /nfs/dbraw/zinc/93/50/83/522935083.db2.gz UPFMPEUVSCUYSH-MRXNPFEDSA-N 2 2 289.398 3.004 20 30 CGEDLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(C#N)cc1F ZINC000075860029 522935092 /nfs/dbraw/zinc/93/50/92/522935092.db2.gz UPFMPEUVSCUYSH-MRXNPFEDSA-N 2 2 289.398 3.004 20 30 CGEDLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1F ZINC000075860029 522935103 /nfs/dbraw/zinc/93/51/03/522935103.db2.gz UPFMPEUVSCUYSH-MRXNPFEDSA-N 2 2 289.398 3.004 20 30 CGEDLP CC1(C#N)CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000332395896 528832178 /nfs/dbraw/zinc/83/21/78/528832178.db2.gz OYQYJOKGXQXFFR-UHFFFAOYSA-N 2 2 298.434 3.112 20 30 CGEDLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423237334 529174673 /nfs/dbraw/zinc/17/46/73/529174673.db2.gz IHMAVFRVUOBFBR-QZTJIDSGSA-N 2 2 279.387 3.299 20 30 CGEDLP CCOc1ccc(O)c(/C=[NH+]\CCCC[N@H+](C)C2CC2)c1 ZINC000840711665 620139966 /nfs/dbraw/zinc/13/99/66/620139966.db2.gz YKOLEGNWYRQUBP-AQTBWJFISA-N 2 2 290.407 3.084 20 30 CGEDLP CCOc1ccc(O)c(/C=[NH+]\CCCC[N@@H+](C)C2CC2)c1 ZINC000840711665 620139972 /nfs/dbraw/zinc/13/99/72/620139972.db2.gz YKOLEGNWYRQUBP-AQTBWJFISA-N 2 2 290.407 3.084 20 30 CGEDLP N#CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCCCC1 ZINC000903199393 621623802 /nfs/dbraw/zinc/62/38/02/621623802.db2.gz CEASPWWOIYJVFY-ZXFUBFMLSA-N 2 2 287.451 3.208 20 30 CGEDLP N#CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCCC1 ZINC000903199393 621623804 /nfs/dbraw/zinc/62/38/04/621623804.db2.gz CEASPWWOIYJVFY-ZXFUBFMLSA-N 2 2 287.451 3.208 20 30 CGEDLP C=CCC[C@@H](CCC)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938417 632239690 /nfs/dbraw/zinc/23/96/90/632239690.db2.gz JZPHUUFRCKMDJT-AEFFLSMTSA-N 2 2 289.467 3.477 20 30 CGEDLP C=C(C)CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569431 636022983 /nfs/dbraw/zinc/02/29/83/636022983.db2.gz KTJAGMNPGHJWAL-MRXNPFEDSA-N 2 2 255.365 3.180 20 30 CGEDLP C=C(Cl)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000130915096 636528975 /nfs/dbraw/zinc/52/89/75/636528975.db2.gz IXHXGMGILDVLLG-LBPRGKRZSA-N 2 2 261.756 3.275 20 30 CGEDLP C=CCCCCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927105940 638842584 /nfs/dbraw/zinc/84/25/84/638842584.db2.gz MOIDFVRYEQHGFH-FUHWJXTLSA-N 2 2 294.483 3.354 20 30 CGEDLP C=CCCCCC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927105940 638842586 /nfs/dbraw/zinc/84/25/86/638842586.db2.gz MOIDFVRYEQHGFH-FUHWJXTLSA-N 2 2 294.483 3.354 20 30 CGEDLP CC[C@H](CC#N)[N@@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001255173411 806565964 /nfs/dbraw/zinc/56/59/64/806565964.db2.gz AANMFQASNZNLRS-PMPSAXMXSA-N 2 2 263.429 3.017 20 30 CGEDLP CC[C@H](CC#N)[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001255173411 806565967 /nfs/dbraw/zinc/56/59/67/806565967.db2.gz AANMFQASNZNLRS-PMPSAXMXSA-N 2 2 263.429 3.017 20 30 CGEDLP CC[C@H](CC#N)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001255173411 806565974 /nfs/dbraw/zinc/56/59/74/806565974.db2.gz AANMFQASNZNLRS-PMPSAXMXSA-N 2 2 263.429 3.017 20 30 CGEDLP CC[C@H](CC#N)[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001255173411 806565980 /nfs/dbraw/zinc/56/59/80/806565980.db2.gz AANMFQASNZNLRS-PMPSAXMXSA-N 2 2 263.429 3.017 20 30 CGEDLP CC[C@@H](CC#N)[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001255177535 806569753 /nfs/dbraw/zinc/56/97/53/806569753.db2.gz UKPSUVGKURXYRS-AWEZNQCLSA-N 2 2 263.429 3.017 20 30 CGEDLP CC[C@@H](CC#N)[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001255177535 806569755 /nfs/dbraw/zinc/56/97/55/806569755.db2.gz UKPSUVGKURXYRS-AWEZNQCLSA-N 2 2 263.429 3.017 20 30 CGEDLP Cc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1C#N ZINC001244494497 803403037 /nfs/dbraw/zinc/40/30/37/803403037.db2.gz XMEIOESKDOKAJO-LJQANCHMSA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1C#N ZINC001244494497 803403042 /nfs/dbraw/zinc/40/30/42/803403042.db2.gz XMEIOESKDOKAJO-LJQANCHMSA-N 2 2 291.398 3.067 20 30 CGEDLP CCCCCCCCCC[C@@H](O)C[NH2+][C@@]1(C)CC[NH2+]C1 ZINC001245989346 804094728 /nfs/dbraw/zinc/09/47/28/804094728.db2.gz GKCVYMSQIKWACL-SJORKVTESA-N 2 2 284.488 3.220 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246028163 804102275 /nfs/dbraw/zinc/10/22/75/804102275.db2.gz ZWXVHUMBGFNKJM-ZWKOTPCHSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001246028163 804102279 /nfs/dbraw/zinc/10/22/79/804102279.db2.gz ZWXVHUMBGFNKJM-ZWKOTPCHSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246036194 804102288 /nfs/dbraw/zinc/10/22/88/804102288.db2.gz SYARKPZXEMCYSS-OKZBNKHCSA-N 2 2 296.499 3.172 20 30 CGEDLP CCCCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001246036194 804102290 /nfs/dbraw/zinc/10/22/90/804102290.db2.gz SYARKPZXEMCYSS-OKZBNKHCSA-N 2 2 296.499 3.172 20 30 CGEDLP CCCCCCC[C@H](CC)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246086628 804120718 /nfs/dbraw/zinc/12/07/18/804120718.db2.gz BEAJVDVGUWMXIJ-SOUVJXGZSA-N 2 2 258.425 3.415 20 30 CGEDLP CCCCCCC[C@@H](CC)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246213419 804210199 /nfs/dbraw/zinc/21/01/99/804210199.db2.gz BEAJVDVGUWMXIJ-RBSFLKMASA-N 2 2 258.425 3.415 20 30 CGEDLP CCCCCCC[C@H](CC)[NH2+][C@H](C)[C@H]1C[NH2+]CCO1 ZINC001246292498 804262026 /nfs/dbraw/zinc/26/20/26/804262026.db2.gz JVGGAKAEUAUFCY-OWCLPIDISA-N 2 2 270.461 3.092 20 30 CGEDLP CCCCCCC[C@@H](CCC)[NH2+][C@@H]([NH3+])CCC[NH3+] ZINC001246300152 804266173 /nfs/dbraw/zinc/26/61/73/804266173.db2.gz LVPCQUQMORYFDJ-HUUCEWRRSA-N 3 2 257.466 3.129 20 30 CGEDLP CCCCCCC[C@@H](CCC)[N@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246551823 804402506 /nfs/dbraw/zinc/40/25/06/804402506.db2.gz RKWLIWAIVHJSQJ-SJORKVTESA-N 2 2 284.488 3.436 20 30 CGEDLP CCCCCCC[C@@H](CCC)[N@@H+](C)C[C@@H]1C[NH2+]CCO1 ZINC001246551823 804402511 /nfs/dbraw/zinc/40/25/11/804402511.db2.gz RKWLIWAIVHJSQJ-SJORKVTESA-N 2 2 284.488 3.436 20 30 CGEDLP CCCC[C@@H]1C[C@H]([N@@H+]2CCc3ccc(C#N)cc3C2)CC[NH2+]1 ZINC001246594810 804435538 /nfs/dbraw/zinc/43/55/38/804435538.db2.gz RUNUBWGHPWPSMK-RTBURBONSA-N 2 2 297.446 3.227 20 30 CGEDLP CCCC[C@@H]1C[C@H]([N@H+]2CCc3ccc(C#N)cc3C2)CC[NH2+]1 ZINC001246594810 804435542 /nfs/dbraw/zinc/43/55/42/804435542.db2.gz RUNUBWGHPWPSMK-RTBURBONSA-N 2 2 297.446 3.227 20 30 CGEDLP C=CCCCCCCC[N@@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236331730 819428317 /nfs/dbraw/zinc/42/83/17/819428317.db2.gz YMIPHVYZWCIILP-QGZVFWFLSA-N 2 2 282.472 3.213 20 30 CGEDLP C=CCCCCCCC[N@H+](CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236331730 819428319 /nfs/dbraw/zinc/42/83/19/819428319.db2.gz YMIPHVYZWCIILP-QGZVFWFLSA-N 2 2 282.472 3.213 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001461045482 937561824 /nfs/dbraw/zinc/56/18/24/937561824.db2.gz PXKSPROCIGCKKJ-OAGGEKHMSA-N 2 2 250.430 3.053 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001461045482 937561827 /nfs/dbraw/zinc/56/18/27/937561827.db2.gz PXKSPROCIGCKKJ-OAGGEKHMSA-N 2 2 250.430 3.053 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2nc(C)cs2)CC1 ZINC000623889790 349906553 /nfs/dbraw/zinc/90/65/53/349906553.db2.gz WCUNUAXIKZAUQB-ZDUSSCGKSA-N 2 2 279.453 3.143 20 30 CGEDLP C=CCC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000358333344 346543825 /nfs/dbraw/zinc/54/38/25/346543825.db2.gz WRQHNXXLWWLKNP-HYVNUMGLSA-N 2 2 258.409 3.234 20 30 CGEDLP C=CCC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000358333344 346543828 /nfs/dbraw/zinc/54/38/28/346543828.db2.gz WRQHNXXLWWLKNP-HYVNUMGLSA-N 2 2 258.409 3.234 20 30 CGEDLP C[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693183 347104936 /nfs/dbraw/zinc/10/49/36/347104936.db2.gz RQGDIZYOEBLVPM-HNAYVOBHSA-N 2 2 297.446 3.301 20 30 CGEDLP Cc1ccc(CCC[NH2+]CC(C)(C)CCC#N)c[nH+]1 ZINC000589206729 346789875 /nfs/dbraw/zinc/78/98/75/346789875.db2.gz CMBKOPGMOQRVAX-UHFFFAOYSA-N 2 2 259.397 3.242 20 30 CGEDLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1(C#N)CCCCC1 ZINC000596650112 347498359 /nfs/dbraw/zinc/49/83/59/347498359.db2.gz GRBKICFPINIUEF-RDJZCZTQSA-N 2 2 285.435 3.009 20 30 CGEDLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1(C#N)CCCCC1 ZINC000596650110 347498472 /nfs/dbraw/zinc/49/84/72/347498472.db2.gz GRBKICFPINIUEF-DOTOQJQBSA-N 2 2 285.435 3.009 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000602623663 347995924 /nfs/dbraw/zinc/99/59/24/347995924.db2.gz YLPCMBDLECQGNK-QFBILLFUSA-N 2 2 299.462 3.426 20 30 CGEDLP C[C@@H](CCC#N)C[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000602623663 347995925 /nfs/dbraw/zinc/99/59/25/347995925.db2.gz YLPCMBDLECQGNK-QFBILLFUSA-N 2 2 299.462 3.426 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000602543380 347979516 /nfs/dbraw/zinc/97/95/16/347979516.db2.gz CGMAYHKBBIIQPN-RYRKJORJSA-N 2 2 285.435 3.351 20 30 CGEDLP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000602543380 347979521 /nfs/dbraw/zinc/97/95/21/347979521.db2.gz CGMAYHKBBIIQPN-RYRKJORJSA-N 2 2 285.435 3.351 20 30 CGEDLP Cc1[nH+]c2ccccc2n1CCCCC[NH2+][C@@H](C)CC#N ZINC000602870531 348039332 /nfs/dbraw/zinc/03/93/32/348039332.db2.gz MRXKDMHNKRVNCF-AWEZNQCLSA-N 2 2 284.407 3.407 20 30 CGEDLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358556453 233154241 /nfs/dbraw/zinc/15/42/41/233154241.db2.gz BFRPASUKTMJSDB-ZDUSSCGKSA-N 2 2 283.350 3.294 20 30 CGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)CC2 ZINC000353599133 283198843 /nfs/dbraw/zinc/19/88/43/283198843.db2.gz VTGNEOXRZDJZAJ-IEBWSBKVSA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)CC2 ZINC000353599133 283198847 /nfs/dbraw/zinc/19/88/47/283198847.db2.gz VTGNEOXRZDJZAJ-IEBWSBKVSA-N 2 2 295.430 3.152 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000177907772 189078481 /nfs/dbraw/zinc/07/84/81/189078481.db2.gz HGLGUJDCAAKWCR-KSSFIOAISA-N 2 2 270.420 3.160 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC)cc2)CC1 ZINC000177913627 189079275 /nfs/dbraw/zinc/07/92/75/189079275.db2.gz GBKHVFCIJHYGEE-HNNXBMFYSA-N 2 2 288.435 3.386 20 30 CGEDLP C#Cc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000288975947 371748660 /nfs/dbraw/zinc/74/86/60/371748660.db2.gz BYOCDGJELMQIHY-UHFFFAOYSA-N 2 2 282.431 3.118 20 30 CGEDLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000442853295 373105597 /nfs/dbraw/zinc/10/55/97/373105597.db2.gz MKKRCRIDENGZRR-QXAKKESOSA-N 2 2 297.446 3.179 20 30 CGEDLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000442853295 373105602 /nfs/dbraw/zinc/10/56/02/373105602.db2.gz MKKRCRIDENGZRR-QXAKKESOSA-N 2 2 297.446 3.179 20 30 CGEDLP C[N@H+](CC1(C#N)CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000450569486 374161988 /nfs/dbraw/zinc/16/19/88/374161988.db2.gz WXQFUOMGZNVZCJ-UHFFFAOYSA-N 2 2 297.446 3.277 20 30 CGEDLP C[N@@H+](CC1(C#N)CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000450569486 374161990 /nfs/dbraw/zinc/16/19/90/374161990.db2.gz WXQFUOMGZNVZCJ-UHFFFAOYSA-N 2 2 297.446 3.277 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000334397093 374713275 /nfs/dbraw/zinc/71/32/75/374713275.db2.gz WMEQRTKYANIZBL-OAHLLOKOSA-N 2 2 283.419 3.179 20 30 CGEDLP C[C@H](c1cccc(C#N)c1)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000334397093 374713283 /nfs/dbraw/zinc/71/32/83/374713283.db2.gz WMEQRTKYANIZBL-OAHLLOKOSA-N 2 2 283.419 3.179 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000493708949 375478428 /nfs/dbraw/zinc/47/84/28/375478428.db2.gz RZQYVIRSWSAJJI-ZNMIVQPWSA-N 2 2 250.430 3.336 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000493708949 375478433 /nfs/dbraw/zinc/47/84/33/375478433.db2.gz RZQYVIRSWSAJJI-ZNMIVQPWSA-N 2 2 250.430 3.336 20 30 CGEDLP C=CC[NH+](CC=C)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000191935910 375680006 /nfs/dbraw/zinc/68/00/06/375680006.db2.gz ZZPWEARIAQVVEY-UHFFFAOYSA-N 2 2 267.376 3.355 20 30 CGEDLP C=C(C)[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccc(F)c(F)c1 ZINC000521463138 375876003 /nfs/dbraw/zinc/87/60/03/375876003.db2.gz ZSWSPSMSFWJLML-MRXNPFEDSA-N 2 2 291.345 3.414 20 30 CGEDLP N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000339158128 376715727 /nfs/dbraw/zinc/71/57/27/376715727.db2.gz ZTUNMNAXFYTKPU-PMPSAXMXSA-N 2 2 298.434 3.091 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269878373 378277073 /nfs/dbraw/zinc/27/70/73/378277073.db2.gz QQRZBLPQQCJKDM-INIZCTEOSA-N 2 2 292.373 3.192 20 30 CGEDLP C=CCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389837884 379903599 /nfs/dbraw/zinc/90/35/99/379903599.db2.gz LKGRFBAPEKZYQO-NVXWUHKLSA-N 2 2 258.409 3.063 20 30 CGEDLP C=CCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389837884 379903605 /nfs/dbraw/zinc/90/36/05/379903605.db2.gz LKGRFBAPEKZYQO-NVXWUHKLSA-N 2 2 258.409 3.063 20 30 CGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000358337018 381306373 /nfs/dbraw/zinc/30/63/73/381306373.db2.gz DWKPNLCRQDCVNC-JLSDUUJJSA-N 2 2 283.419 3.104 20 30 CGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000358337018 381306380 /nfs/dbraw/zinc/30/63/80/381306380.db2.gz DWKPNLCRQDCVNC-JLSDUUJJSA-N 2 2 283.419 3.104 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000179421038 260047584 /nfs/dbraw/zinc/04/75/84/260047584.db2.gz FZUKBJGQZXUSRC-ZDUSSCGKSA-N 2 2 292.398 3.135 20 30 CGEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364662 392707606 /nfs/dbraw/zinc/70/76/06/392707606.db2.gz HTZIRJFXCLRVQE-UKRRQHHQSA-N 2 2 271.408 3.376 20 30 CGEDLP C=CCCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000648450075 393024208 /nfs/dbraw/zinc/02/42/08/393024208.db2.gz QHJBXWKSHBNDOX-ZBFHGGJFSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000648450075 393024212 /nfs/dbraw/zinc/02/42/12/393024212.db2.gz QHJBXWKSHBNDOX-ZBFHGGJFSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCCC[NH+]1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344587154 393045937 /nfs/dbraw/zinc/04/59/37/393045937.db2.gz RZYQJXQCQARQIN-OWCLPIDISA-N 2 2 250.430 3.290 20 30 CGEDLP C=CCCC[NH+]1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344587154 393045942 /nfs/dbraw/zinc/04/59/42/393045942.db2.gz RZYQJXQCQARQIN-OWCLPIDISA-N 2 2 250.430 3.290 20 30 CGEDLP C=CCCC[N@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344587154 393045949 /nfs/dbraw/zinc/04/59/49/393045949.db2.gz RZYQJXQCQARQIN-OWCLPIDISA-N 2 2 250.430 3.290 20 30 CGEDLP C=CCCC[N@@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344587154 393045956 /nfs/dbraw/zinc/04/59/56/393045956.db2.gz RZYQJXQCQARQIN-OWCLPIDISA-N 2 2 250.430 3.290 20 30 CGEDLP C=CCC[C@@H](C)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000130526826 260397915 /nfs/dbraw/zinc/39/79/15/260397915.db2.gz BKVXQLYAIVQOGZ-CYBMUJFWSA-N 2 2 257.381 3.289 20 30 CGEDLP C=CCCC[NH+]1CC[N@@H+](CCCC=C)CC(C)C1 ZINC000451895985 263000434 /nfs/dbraw/zinc/00/04/34/263000434.db2.gz ZKJNLIBBFLRQDA-UHFFFAOYSA-N 2 2 250.430 3.173 20 30 CGEDLP C=CCCC[NH+]1CC[N@H+](CCCC=C)CC(C)C1 ZINC000451895985 263000435 /nfs/dbraw/zinc/00/04/35/263000435.db2.gz ZKJNLIBBFLRQDA-UHFFFAOYSA-N 2 2 250.430 3.173 20 30 CGEDLP C=CC[N@H+](Cc1cccs1)C[C@@H]([NH3+])CC(C)C ZINC000414682575 263031904 /nfs/dbraw/zinc/03/19/04/263031904.db2.gz RMPGGRAWNYFRCF-ZDUSSCGKSA-N 2 2 252.427 3.110 20 30 CGEDLP C=CC[N@@H+](Cc1cccs1)C[C@@H]([NH3+])CC(C)C ZINC000414682575 263031905 /nfs/dbraw/zinc/03/19/05/263031905.db2.gz RMPGGRAWNYFRCF-ZDUSSCGKSA-N 2 2 252.427 3.110 20 30 CGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)CC2 ZINC000527997680 270149406 /nfs/dbraw/zinc/14/94/06/270149406.db2.gz AGKFACBHNAFSQZ-HKUYNNGSSA-N 2 2 295.430 3.152 20 30 CGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)CC2 ZINC000527997680 270149407 /nfs/dbraw/zinc/14/94/07/270149407.db2.gz AGKFACBHNAFSQZ-HKUYNNGSSA-N 2 2 295.430 3.152 20 30 CGEDLP CC1(C)C[C@H]([NH2+]CC2(CC#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000368461629 267174936 /nfs/dbraw/zinc/17/49/36/267174936.db2.gz JQAJKYFNZVBUOG-KRWDZBQOSA-N 2 2 297.446 3.323 20 30 CGEDLP CC1(C)C[C@H]([NH2+]CC2(CC#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000368461629 267174939 /nfs/dbraw/zinc/17/49/39/267174939.db2.gz JQAJKYFNZVBUOG-KRWDZBQOSA-N 2 2 297.446 3.323 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2c3ccccc3C[C@H]2C)CC1 ZINC000177907759 275427633 /nfs/dbraw/zinc/42/76/33/275427633.db2.gz HGLGUJDCAAKWCR-KDOFPFPSSA-N 2 2 270.420 3.160 20 30 CGEDLP Cc1ccc([C@@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)[NH+](C)C)cc1 ZINC000185802983 327845395 /nfs/dbraw/zinc/84/53/95/327845395.db2.gz NBMJVIVEHVIGLF-RYQLBKOJSA-N 2 2 285.435 3.270 20 30 CGEDLP C=C(CC)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361058716 328914220 /nfs/dbraw/zinc/91/42/20/328914220.db2.gz DDJRGGKUWUWJIL-UHFFFAOYSA-N 2 2 261.413 3.342 20 30 CGEDLP C=CCC[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000422999889 330163845 /nfs/dbraw/zinc/16/38/45/330163845.db2.gz UBBOTZZDCHLZAY-SZMVWBNQSA-N 2 2 288.435 3.051 20 30 CGEDLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CCC(C)(C#N)CC1 ZINC000423503885 330208474 /nfs/dbraw/zinc/20/84/74/330208474.db2.gz NEJPQYPQRNTQML-IIIMJFFVSA-N 2 2 285.435 3.311 20 30 CGEDLP C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000430746416 330572612 /nfs/dbraw/zinc/57/26/12/330572612.db2.gz QMWGHIMVKMZELQ-CQSZACIVSA-N 2 2 280.375 3.217 20 30 CGEDLP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1)[NH+](C)C ZINC000442880902 330790236 /nfs/dbraw/zinc/79/02/36/330790236.db2.gz ZPLGOWDNNNRTNP-OVWQWFNUSA-N 2 2 285.435 3.268 20 30 CGEDLP C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163320550 331020335 /nfs/dbraw/zinc/02/03/35/331020335.db2.gz YRZKSVHZSZTJPE-KGLIPLIRSA-N 2 2 255.365 3.488 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(CCC)c2)CC1 ZINC000187220416 333168564 /nfs/dbraw/zinc/16/85/64/333168564.db2.gz CRDMACQQEKKXCV-UHFFFAOYSA-N 2 2 272.436 3.379 20 30 CGEDLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(C#N)cc1 ZINC000577180385 335317838 /nfs/dbraw/zinc/31/78/38/335317838.db2.gz MEVZUYJPBIXFHM-KRWDZBQOSA-N 2 2 282.391 3.276 20 30 CGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000577584706 335373388 /nfs/dbraw/zinc/37/33/88/335373388.db2.gz WAEOXGZBPPBHQT-MHORFTMASA-N 2 2 294.483 3.231 20 30 CGEDLP C=CCCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189889830 534734790 /nfs/dbraw/zinc/73/47/90/534734790.db2.gz SKYIERFGGAMAMM-AWEZNQCLSA-N 2 2 255.365 3.489 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2OCC)CC1 ZINC000106246105 526604301 /nfs/dbraw/zinc/60/43/01/526604301.db2.gz OCMHDAFVPZDJGJ-UHFFFAOYSA-N 2 2 288.435 3.215 20 30 CGEDLP C=CC[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccncc1 ZINC000925073369 619547198 /nfs/dbraw/zinc/54/71/98/619547198.db2.gz BOKXKUAZGYDYOB-KSZLIROESA-N 2 2 285.435 3.305 20 30 CGEDLP C=CC[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccncc1 ZINC000925073369 619547202 /nfs/dbraw/zinc/54/72/02/619547202.db2.gz BOKXKUAZGYDYOB-KSZLIROESA-N 2 2 285.435 3.305 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC(C)C)C2CCOCC2)CC1 ZINC000902796393 621451668 /nfs/dbraw/zinc/45/16/68/621451668.db2.gz PNYUGUMGHPTGEV-GOSISDBHSA-N 2 2 294.483 3.068 20 30 CGEDLP Cc1cc(C#N)cc(C)c1C[NH2+]CCCNc1cccc[nH+]1 ZINC000921821986 625890528 /nfs/dbraw/zinc/89/05/28/625890528.db2.gz NFZWKBWSXGSNCH-UHFFFAOYSA-N 2 2 294.402 3.162 20 30 CGEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000817941876 632240806 /nfs/dbraw/zinc/24/08/06/632240806.db2.gz STCOWUGESNEQTG-HIFRSBDPSA-N 2 2 294.826 3.221 20 30 CGEDLP C=C(Cl)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000824098158 633195029 /nfs/dbraw/zinc/19/50/29/633195029.db2.gz JAKKNRWDTKNXQM-HNNXBMFYSA-N 2 2 292.854 3.424 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835037627 634328536 /nfs/dbraw/zinc/32/85/36/634328536.db2.gz QVMZDVOKSIKDFA-WAYWQWQTSA-N 2 2 299.462 3.006 20 30 CGEDLP C#CCCCCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000876620721 634870216 /nfs/dbraw/zinc/87/02/16/634870216.db2.gz RAKRVQPZOMHWAX-OAHLLOKOSA-N 2 2 259.397 3.173 20 30 CGEDLP C#CCCCCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000876620721 634870219 /nfs/dbraw/zinc/87/02/19/634870219.db2.gz RAKRVQPZOMHWAX-OAHLLOKOSA-N 2 2 259.397 3.173 20 30 CGEDLP C=C1CCC(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000926925449 638826349 /nfs/dbraw/zinc/82/63/49/638826349.db2.gz BNDYSKCGWCOYPD-UHFFFAOYSA-N 2 2 285.435 3.386 20 30 CGEDLP CCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001252139678 806025224 /nfs/dbraw/zinc/02/52/24/806025224.db2.gz LALBMCAUUZBOCF-ZWKOTPCHSA-N 2 2 298.515 3.418 20 30 CGEDLP CCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001252139678 806025231 /nfs/dbraw/zinc/02/52/31/806025231.db2.gz LALBMCAUUZBOCF-ZWKOTPCHSA-N 2 2 298.515 3.418 20 30 CGEDLP CC[C@@H](CC#N)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255388793 806630691 /nfs/dbraw/zinc/63/06/91/806630691.db2.gz HTFFGBCVSOYUCQ-ROUUACIJSA-N 2 2 285.435 3.323 20 30 CGEDLP CC[C@@H](CC#N)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388793 806630695 /nfs/dbraw/zinc/63/06/95/806630695.db2.gz HTFFGBCVSOYUCQ-ROUUACIJSA-N 2 2 285.435 3.323 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000327970421 799248443 /nfs/dbraw/zinc/24/84/43/799248443.db2.gz FZLIIKKZFKPMQU-AWEZNQCLSA-N 2 2 270.376 3.039 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000327970421 799248448 /nfs/dbraw/zinc/24/84/48/799248448.db2.gz FZLIIKKZFKPMQU-AWEZNQCLSA-N 2 2 270.376 3.039 20 30 CGEDLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001255957197 806798590 /nfs/dbraw/zinc/79/85/90/806798590.db2.gz PFAKSUSULPLQBT-HNNXBMFYSA-N 2 2 285.435 3.037 20 30 CGEDLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001255957197 806798594 /nfs/dbraw/zinc/79/85/94/806798594.db2.gz PFAKSUSULPLQBT-HNNXBMFYSA-N 2 2 285.435 3.037 20 30 CGEDLP CC1(C#N)CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256609236 806924537 /nfs/dbraw/zinc/92/45/37/806924537.db2.gz LCYBGBYHIRRUQQ-UHFFFAOYSA-N 2 2 297.446 3.277 20 30 CGEDLP Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1C#N ZINC001244494450 803402656 /nfs/dbraw/zinc/40/26/56/803402656.db2.gz WJTMWYQGOPEVLH-IBGZPJMESA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1C#N ZINC001244494450 803402661 /nfs/dbraw/zinc/40/26/61/803402661.db2.gz WJTMWYQGOPEVLH-IBGZPJMESA-N 2 2 291.398 3.067 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246032904 804102663 /nfs/dbraw/zinc/10/26/63/804102663.db2.gz MSUPLHFMERCSTK-MSOLQXFVSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCC[C@@H](O)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246032904 804102667 /nfs/dbraw/zinc/10/26/67/804102667.db2.gz MSUPLHFMERCSTK-MSOLQXFVSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246090002 804122064 /nfs/dbraw/zinc/12/20/64/804122064.db2.gz UOQFQDWCTDAHRF-HOTGVXAUSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCCCC[C@H](C)[NH2+][C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001246296487 804263946 /nfs/dbraw/zinc/26/39/46/804263946.db2.gz RTIMMKVMXHRVGQ-BBWFWOEESA-N 2 2 284.488 3.482 20 30 CGEDLP CCCC[C@H]1C[C@H]([N@@H+](CCC#N)CCCC)CC[NH2+]1 ZINC001246770259 804502733 /nfs/dbraw/zinc/50/27/33/804502733.db2.gz OWITWZFSUSOWNA-JKSUJKDBSA-N 2 2 265.445 3.313 20 30 CGEDLP CCCC[C@H]1C[C@H]([N@H+](CCC#N)CCCC)CC[NH2+]1 ZINC001246770259 804502736 /nfs/dbraw/zinc/50/27/36/804502736.db2.gz OWITWZFSUSOWNA-JKSUJKDBSA-N 2 2 265.445 3.313 20 30 CGEDLP CCCCCCC[C@@H](C)[N@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001246927963 804604986 /nfs/dbraw/zinc/60/49/86/804604986.db2.gz IWIRZUMWEDOSDH-HZPDHXFCSA-N 2 2 270.461 3.046 20 30 CGEDLP CCCCCCC[C@@H](C)[N@@H+](CCOC)[C@@H]1CC[NH2+]C1 ZINC001246927963 804604991 /nfs/dbraw/zinc/60/49/91/804604991.db2.gz IWIRZUMWEDOSDH-HZPDHXFCSA-N 2 2 270.461 3.046 20 30 CGEDLP CCc1cc(C#N)ccc1C[NH+]1CCC([N@@H+](C)CC)CC1 ZINC001248753082 804983664 /nfs/dbraw/zinc/98/36/64/804983664.db2.gz QKJHHRPMGMYAPC-UHFFFAOYSA-N 2 2 285.435 3.037 20 30 CGEDLP CCc1cc(C#N)ccc1C[NH+]1CCC([N@H+](C)CC)CC1 ZINC001248753082 804983669 /nfs/dbraw/zinc/98/36/69/804983669.db2.gz QKJHHRPMGMYAPC-UHFFFAOYSA-N 2 2 285.435 3.037 20 30 CGEDLP CC[NH+](CC)C1CCC([NH2+]C2(C#N)CCCC2)CC1 ZINC001173103713 808510980 /nfs/dbraw/zinc/51/09/80/808510980.db2.gz PWDXTQJQTMGNTP-UHFFFAOYSA-N 2 2 263.429 3.065 20 30 CGEDLP C=CCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001209423577 814026311 /nfs/dbraw/zinc/02/63/11/814026311.db2.gz XVTOQMDWUXPKEY-HDICACEKSA-N 2 2 299.462 3.192 20 30 CGEDLP C=CCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001209423577 814026315 /nfs/dbraw/zinc/02/63/15/814026315.db2.gz XVTOQMDWUXPKEY-HDICACEKSA-N 2 2 299.462 3.192 20 30 CGEDLP C=CCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001209423577 814026323 /nfs/dbraw/zinc/02/63/23/814026323.db2.gz XVTOQMDWUXPKEY-HDICACEKSA-N 2 2 299.462 3.192 20 30 CGEDLP C=CCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001209423577 814026329 /nfs/dbraw/zinc/02/63/29/814026329.db2.gz XVTOQMDWUXPKEY-HDICACEKSA-N 2 2 299.462 3.192 20 30 CGEDLP C=C(C)COc1ccccc1C[N@@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217377 819381839 /nfs/dbraw/zinc/38/18/39/819381839.db2.gz ORXMGSOSQUVAAX-DLBZAZTESA-N 2 2 288.435 3.343 20 30 CGEDLP C=C(C)COc1ccccc1C[N@H+](C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236217377 819381840 /nfs/dbraw/zinc/38/18/40/819381840.db2.gz ORXMGSOSQUVAAX-DLBZAZTESA-N 2 2 288.435 3.343 20 30 CGEDLP CC[N@H+](Cc1ccc(Cl)c(C#N)c1)C1CC[NH+](C)CC1 ZINC001238193651 819952658 /nfs/dbraw/zinc/95/26/58/819952658.db2.gz DZCJFDXOPTVABW-UHFFFAOYSA-N 2 2 291.826 3.128 20 30 CGEDLP CC[N@@H+](Cc1ccc(Cl)c(C#N)c1)C1CC[NH+](C)CC1 ZINC001238193651 819952664 /nfs/dbraw/zinc/95/26/64/819952664.db2.gz DZCJFDXOPTVABW-UHFFFAOYSA-N 2 2 291.826 3.128 20 30 CGEDLP Cc1cc(C#N)cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001242480074 823007165 /nfs/dbraw/zinc/00/71/65/823007165.db2.gz YMOKINWNUXRKTG-IBGZPJMESA-N 2 2 291.398 3.067 20 30 CGEDLP Cc1cc(C#N)cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001242480074 823007167 /nfs/dbraw/zinc/00/71/67/823007167.db2.gz YMOKINWNUXRKTG-IBGZPJMESA-N 2 2 291.398 3.067 20 30 CGEDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCC(CC#N)CC1 ZINC001173330897 928229026 /nfs/dbraw/zinc/22/90/26/928229026.db2.gz WRPQLAXDOWGPLW-KLAILNCOSA-N 2 2 277.456 3.169 20 30 CGEDLP C[C@]1(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCC[NH2+]C1 ZINC001576502805 962466189 /nfs/dbraw/zinc/46/61/89/962466189.db2.gz HPPIIOAGPMTOFD-QRVBRYPASA-N 2 2 297.446 3.148 20 30 CGEDLP C[C@]1(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCC[NH2+]C1 ZINC001576502805 962466197 /nfs/dbraw/zinc/46/61/97/962466197.db2.gz HPPIIOAGPMTOFD-QRVBRYPASA-N 2 2 297.446 3.148 20 30 CGEDLP C=CC(C)(C)CC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000623592856 349843628 /nfs/dbraw/zinc/84/36/28/349843628.db2.gz FIKMNIJETJPNGZ-UHFFFAOYSA-N 2 2 257.381 3.335 20 30 CGEDLP Cc1cccc2[nH+]c(CC[NH2+]CC(C)(C)CCC#N)cn21 ZINC000592378570 346980860 /nfs/dbraw/zinc/98/08/60/346980860.db2.gz COLOMJUMKXYVCE-UHFFFAOYSA-N 2 2 284.407 3.105 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000623729139 349872174 /nfs/dbraw/zinc/87/21/74/349872174.db2.gz QFQUNJWXEGUXSG-VYDXJSESSA-N 2 2 262.441 3.338 20 30 CGEDLP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000623729139 349872177 /nfs/dbraw/zinc/87/21/77/349872177.db2.gz QFQUNJWXEGUXSG-VYDXJSESSA-N 2 2 262.441 3.338 20 30 CGEDLP C#CCOc1ccc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)cc1 ZINC000090847381 345796240 /nfs/dbraw/zinc/79/62/40/345796240.db2.gz BABRZLYOQUWRHT-MRXNPFEDSA-N 2 2 294.398 3.295 20 30 CGEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C#N ZINC000599331080 347736142 /nfs/dbraw/zinc/73/61/42/347736142.db2.gz GHOPNCMFRGTQBH-CRAIPNDOSA-N 2 2 294.402 3.146 20 30 CGEDLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000600709228 347829342 /nfs/dbraw/zinc/82/93/42/347829342.db2.gz GPQMCCZEQDPIEY-OKZBNKHCSA-N 2 2 283.419 3.056 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000602571186 347984938 /nfs/dbraw/zinc/98/49/38/347984938.db2.gz YMJNVJPXZWBSSD-NHFHULPWSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC000602571186 347984941 /nfs/dbraw/zinc/98/49/41/347984941.db2.gz YMJNVJPXZWBSSD-NHFHULPWSA-N 2 2 297.446 3.321 20 30 CGEDLP C[C@@H](CCC#N)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000602662379 348003592 /nfs/dbraw/zinc/00/35/92/348003592.db2.gz MTOGCFXIOLSZIB-INIZCTEOSA-N 2 2 288.439 3.315 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000624188970 349996727 /nfs/dbraw/zinc/99/67/27/349996727.db2.gz PTQCZSCUSHKZOK-DZKIICNBSA-N 2 2 250.430 3.194 20 30 CGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624188970 349996731 /nfs/dbraw/zinc/99/67/31/349996731.db2.gz PTQCZSCUSHKZOK-DZKIICNBSA-N 2 2 250.430 3.194 20 30 CGEDLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358556452 233154082 /nfs/dbraw/zinc/15/40/82/233154082.db2.gz BFRPASUKTMJSDB-CYBMUJFWSA-N 2 2 283.350 3.294 20 30 CGEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000111389211 138364134 /nfs/dbraw/zinc/36/41/34/138364134.db2.gz PNTOZPFZCBHUSN-INIZCTEOSA-N 2 2 293.414 3.168 20 30 CGEDLP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000111389211 138364136 /nfs/dbraw/zinc/36/41/36/138364136.db2.gz PNTOZPFZCBHUSN-INIZCTEOSA-N 2 2 293.414 3.168 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC000177913588 189078743 /nfs/dbraw/zinc/07/87/43/189078743.db2.gz OJELQJKWRZHKSG-OAHLLOKOSA-N 2 2 258.409 3.296 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000177911958 189079242 /nfs/dbraw/zinc/07/92/42/189079242.db2.gz YMZZAFCYUXOZLZ-CYBMUJFWSA-N 2 2 262.372 3.127 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1csc(Cl)c1 ZINC000295004306 372686153 /nfs/dbraw/zinc/68/61/53/372686153.db2.gz MFXIRGWCWXLXOY-LLVKDONJSA-N 2 2 270.829 3.007 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1csc(Cl)c1 ZINC000295004306 372686163 /nfs/dbraw/zinc/68/61/63/372686163.db2.gz MFXIRGWCWXLXOY-LLVKDONJSA-N 2 2 270.829 3.007 20 30 CGEDLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC000299624404 373586296 /nfs/dbraw/zinc/58/62/96/373586296.db2.gz UWLDZGJVCPOJEE-UHFFFAOYSA-N 2 2 289.398 3.002 20 30 CGEDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC000299624404 373586302 /nfs/dbraw/zinc/58/63/02/373586302.db2.gz UWLDZGJVCPOJEE-UHFFFAOYSA-N 2 2 289.398 3.002 20 30 CGEDLP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCC1 ZINC000449471701 373755330 /nfs/dbraw/zinc/75/53/30/373755330.db2.gz DGLLRPJXKODYOK-ROUUACIJSA-N 2 2 297.446 3.323 20 30 CGEDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCC1 ZINC000449471701 373755336 /nfs/dbraw/zinc/75/53/36/373755336.db2.gz DGLLRPJXKODYOK-ROUUACIJSA-N 2 2 297.446 3.323 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CCC)c2ccccn2)CC1 ZINC000179470874 373876825 /nfs/dbraw/zinc/87/68/25/373876825.db2.gz PLNBRZOKBDTSQD-KRWDZBQOSA-N 2 2 273.424 3.163 20 30 CGEDLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]CCC#N ZINC000568618053 377522235 /nfs/dbraw/zinc/52/22/35/377522235.db2.gz HCSJENIYSYUKIR-HNNXBMFYSA-N 2 2 271.408 3.064 20 30 CGEDLP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]CCC#N ZINC000568618053 377522245 /nfs/dbraw/zinc/52/22/45/377522245.db2.gz HCSJENIYSYUKIR-HNNXBMFYSA-N 2 2 271.408 3.064 20 30 CGEDLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]CCC#N)C1 ZINC000577858884 378017520 /nfs/dbraw/zinc/01/75/20/378017520.db2.gz CGKHBNFQMCCCMP-IYBDPMFKSA-N 2 2 285.435 3.168 20 30 CGEDLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]CCC#N)C1 ZINC000577858884 378017527 /nfs/dbraw/zinc/01/75/27/378017527.db2.gz CGKHBNFQMCCCMP-IYBDPMFKSA-N 2 2 285.435 3.168 20 30 CGEDLP C[N@@H+]1CC[C@@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000375069882 379484420 /nfs/dbraw/zinc/48/44/20/379484420.db2.gz CUTOCNBXLGVVLH-SJORKVTESA-N 2 2 285.435 3.351 20 30 CGEDLP C[N@H+]1CC[C@@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000375069882 379484422 /nfs/dbraw/zinc/48/44/22/379484422.db2.gz CUTOCNBXLGVVLH-SJORKVTESA-N 2 2 285.435 3.351 20 30 CGEDLP CC[N@H+](CCC#N)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411307670 380139380 /nfs/dbraw/zinc/13/93/80/380139380.db2.gz NJFAPHLJJAUMAS-UHFFFAOYSA-N 2 2 285.435 3.408 20 30 CGEDLP CC[N@@H+](CCC#N)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411307670 380139385 /nfs/dbraw/zinc/13/93/85/380139385.db2.gz NJFAPHLJJAUMAS-UHFFFAOYSA-N 2 2 285.435 3.408 20 30 CGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000354221988 380366974 /nfs/dbraw/zinc/36/69/74/380366974.db2.gz IFAQURXDFWXAAM-SUMWQHHRSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000354221988 380366981 /nfs/dbraw/zinc/36/69/81/380366981.db2.gz IFAQURXDFWXAAM-SUMWQHHRSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000354221988 380366989 /nfs/dbraw/zinc/36/69/89/380366989.db2.gz IFAQURXDFWXAAM-SUMWQHHRSA-N 2 2 289.398 3.002 20 30 CGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000354221988 380366996 /nfs/dbraw/zinc/36/69/96/380366996.db2.gz IFAQURXDFWXAAM-SUMWQHHRSA-N 2 2 289.398 3.002 20 30 CGEDLP C=C(C)C[NH+]1CCC(Nc2[nH+]cnc3[nH]c(C)c(C)c32)CC1 ZINC000645164846 380600226 /nfs/dbraw/zinc/60/02/26/380600226.db2.gz RTNWHLDJAWALTF-UHFFFAOYSA-N 2 2 299.422 3.027 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000358145844 381293826 /nfs/dbraw/zinc/29/38/26/381293826.db2.gz CEBXUBBKTJPNOR-UHFFFAOYSA-N 2 2 268.788 3.063 20 30 CGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H](CCC#N)c1ccccc1 ZINC000358337019 381305605 /nfs/dbraw/zinc/30/56/05/381305605.db2.gz DWKPNLCRQDCVNC-OLMNPRSZSA-N 2 2 283.419 3.104 20 30 CGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H](CCC#N)c1ccccc1 ZINC000358337019 381305613 /nfs/dbraw/zinc/30/56/13/381305613.db2.gz DWKPNLCRQDCVNC-OLMNPRSZSA-N 2 2 283.419 3.104 20 30 CGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000237658355 131051743 /nfs/dbraw/zinc/05/17/43/131051743.db2.gz PLEGYQBQXGCIIB-XJKSGUPXSA-N 2 2 274.408 3.143 20 30 CGEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000338325020 392908233 /nfs/dbraw/zinc/90/82/33/392908233.db2.gz CWBUZQYKYSHRJG-KRWDZBQOSA-N 2 2 297.446 3.180 20 30 CGEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000338325020 392908240 /nfs/dbraw/zinc/90/82/40/392908240.db2.gz CWBUZQYKYSHRJG-KRWDZBQOSA-N 2 2 297.446 3.180 20 30 CGEDLP N#C[C@H]1CC[C@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000339082674 392945454 /nfs/dbraw/zinc/94/54/54/392945454.db2.gz WUXQZGSHPKBPNY-IRXDYDNUSA-N 2 2 286.423 3.068 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C[N@@H+]1C1CC1 ZINC000341710007 392991339 /nfs/dbraw/zinc/99/13/39/392991339.db2.gz TVIFCXCMAYDLBK-AZOIQLNYSA-N 2 2 295.430 3.150 20 30 CGEDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C[N@H+]1C1CC1 ZINC000341710007 392991350 /nfs/dbraw/zinc/99/13/50/392991350.db2.gz TVIFCXCMAYDLBK-AZOIQLNYSA-N 2 2 295.430 3.150 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000648450074 393023131 /nfs/dbraw/zinc/02/31/31/393023131.db2.gz QHJBXWKSHBNDOX-HOCLYGCPSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000648450074 393023139 /nfs/dbraw/zinc/02/31/39/393023139.db2.gz QHJBXWKSHBNDOX-HOCLYGCPSA-N 2 2 250.430 3.195 20 30 CGEDLP Clc1cccc(C#CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000360699222 393572534 /nfs/dbraw/zinc/57/25/34/393572534.db2.gz NVCDAXVWGLDMGL-UHFFFAOYSA-N 2 2 299.805 3.294 20 30 CGEDLP Clc1cccc(C#CC[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000360699222 393572538 /nfs/dbraw/zinc/57/25/38/393572538.db2.gz NVCDAXVWGLDMGL-UHFFFAOYSA-N 2 2 299.805 3.294 20 30 CGEDLP CC[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000442708768 393738888 /nfs/dbraw/zinc/73/88/88/393738888.db2.gz LHGVDVCJQSIKHQ-ZYSHUDEJSA-N 2 2 297.446 3.105 20 30 CGEDLP CC[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000442708768 393738889 /nfs/dbraw/zinc/73/88/89/393738889.db2.gz LHGVDVCJQSIKHQ-ZYSHUDEJSA-N 2 2 297.446 3.105 20 30 CGEDLP CCC#C[C@@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000677950863 543474636 /nfs/dbraw/zinc/47/46/36/543474636.db2.gz AKPCDXCAYJCYDY-QGZVFWFLSA-N 2 2 299.462 3.422 20 30 CGEDLP CCC#C[C@@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000677950863 543474638 /nfs/dbraw/zinc/47/46/38/543474638.db2.gz AKPCDXCAYJCYDY-QGZVFWFLSA-N 2 2 299.462 3.422 20 30 CGEDLP C=CCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000665254745 419093358 /nfs/dbraw/zinc/09/33/58/419093358.db2.gz YRFKIAOWEDRUHW-IAOVAPTHSA-N 2 2 276.399 3.216 20 30 CGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000657845048 419386398 /nfs/dbraw/zinc/38/63/98/419386398.db2.gz PGVQMRPRVAFCHH-CVEARBPZSA-N 2 2 261.413 3.388 20 30 CGEDLP N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000367762478 262283814 /nfs/dbraw/zinc/28/38/14/262283814.db2.gz CICUYDBRSBSHGK-ZWKOTPCHSA-N 2 2 294.402 3.045 20 30 CGEDLP N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000367762478 262283815 /nfs/dbraw/zinc/28/38/15/262283815.db2.gz CICUYDBRSBSHGK-ZWKOTPCHSA-N 2 2 294.402 3.045 20 30 CGEDLP C[C@H]1C[C@H]([NH2+]CCCCC#N)C[N@H+](Cc2ccccc2)C1 ZINC000274325159 263023184 /nfs/dbraw/zinc/02/31/84/263023184.db2.gz DOPRIMFVBLVJAE-WMZOPIPTSA-N 2 2 285.435 3.180 20 30 CGEDLP C[C@H]1C[C@H]([NH2+]CCCCC#N)C[N@@H+](Cc2ccccc2)C1 ZINC000274325159 263023185 /nfs/dbraw/zinc/02/31/85/263023185.db2.gz DOPRIMFVBLVJAE-WMZOPIPTSA-N 2 2 285.435 3.180 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344164164 273485407 /nfs/dbraw/zinc/48/54/07/273485407.db2.gz IGJURKQASAAMQI-SFHVURJKSA-N 2 2 288.410 3.443 20 30 CGEDLP CC(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000423234694 330180917 /nfs/dbraw/zinc/18/09/17/330180917.db2.gz FUBDKNHYYZUCHV-BMGDILEWSA-N 2 2 285.435 3.482 20 30 CGEDLP C=CCC[C@@H]([NH2+]CC([NH3+])(CC)CC)c1ccco1 ZINC000423287359 330186166 /nfs/dbraw/zinc/18/61/66/330186166.db2.gz LSBUIPIMBQKMRP-CYBMUJFWSA-N 2 2 250.386 3.394 20 30 CGEDLP C=CCC[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000120181059 330386037 /nfs/dbraw/zinc/38/60/37/330386037.db2.gz FLZXHDDOSXQBIQ-ZBFHGGJFSA-N 2 2 250.430 3.195 20 30 CGEDLP C=CCC[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000120181059 330386038 /nfs/dbraw/zinc/38/60/38/330386038.db2.gz FLZXHDDOSXQBIQ-ZBFHGGJFSA-N 2 2 250.430 3.195 20 30 CGEDLP C[C@H]1C[C@H]([NH+](C)CC#Cc2ccccc2Cl)CC[N@@H+]1C ZINC000135123038 334116635 /nfs/dbraw/zinc/11/66/35/334116635.db2.gz OSLLPYNUINOGRE-GOEBONIOSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@H]1C[C@H]([NH+](C)CC#Cc2ccccc2Cl)CC[N@H+]1C ZINC000135123038 334116637 /nfs/dbraw/zinc/11/66/37/334116637.db2.gz OSLLPYNUINOGRE-GOEBONIOSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@H]1C[C@H]([N@H+](C)CC#Cc2ccccc2Cl)CC[NH+]1C ZINC000135123038 334116638 /nfs/dbraw/zinc/11/66/38/334116638.db2.gz OSLLPYNUINOGRE-GOEBONIOSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@H]1C[C@H]([N@@H+](C)CC#Cc2ccccc2Cl)CC[NH+]1C ZINC000135123038 334116639 /nfs/dbraw/zinc/11/66/39/334116639.db2.gz OSLLPYNUINOGRE-GOEBONIOSA-N 2 2 290.838 3.106 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000924770151 620747352 /nfs/dbraw/zinc/74/73/52/620747352.db2.gz OSGWDWKKCPEROW-CQSZACIVSA-N 2 2 282.391 3.290 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CSC(C)(C)C)CC1 ZINC000177908678 618143899 /nfs/dbraw/zinc/14/38/99/618143899.db2.gz OYIHVSWQANUBFA-CYBMUJFWSA-N 2 2 270.486 3.147 20 30 CGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](CCC)c1ncccc1Cl ZINC000926490255 618710208 /nfs/dbraw/zinc/71/02/08/618710208.db2.gz MEBJRHTWOXDRGK-HNNXBMFYSA-N 2 2 293.842 3.121 20 30 CGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](CCC)c1ncccc1Cl ZINC000926490255 618710209 /nfs/dbraw/zinc/71/02/09/618710209.db2.gz MEBJRHTWOXDRGK-HNNXBMFYSA-N 2 2 293.842 3.121 20 30 CGEDLP C=CCC[C@H](CCC)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938418 632238746 /nfs/dbraw/zinc/23/87/46/632238746.db2.gz JZPHUUFRCKMDJT-FUHWJXTLSA-N 2 2 289.467 3.477 20 30 CGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)Cc2cccc(C)c2)CC1 ZINC000866260437 633049370 /nfs/dbraw/zinc/04/93/70/633049370.db2.gz GZUSPHVUVZYSCD-MRXNPFEDSA-N 2 2 272.436 3.166 20 30 CGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](c2ccccn2)C(C)C)CC1 ZINC000866261754 633050200 /nfs/dbraw/zinc/05/02/00/633050200.db2.gz ZDQNEPHLKFFKPA-SFHVURJKSA-N 2 2 287.451 3.409 20 30 CGEDLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC1(C#N)CCCCC1 ZINC000880142621 635924481 /nfs/dbraw/zinc/92/44/81/635924481.db2.gz RFLJBFKTPRKDKA-HZPDHXFCSA-N 2 2 275.440 3.019 20 30 CGEDLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC1(C#N)CCCCC1 ZINC000880142621 635924483 /nfs/dbraw/zinc/92/44/83/635924483.db2.gz RFLJBFKTPRKDKA-HZPDHXFCSA-N 2 2 275.440 3.019 20 30 CGEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1(C#N)CCCCC1 ZINC000880142621 635924485 /nfs/dbraw/zinc/92/44/85/635924485.db2.gz RFLJBFKTPRKDKA-HZPDHXFCSA-N 2 2 275.440 3.019 20 30 CGEDLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1(C#N)CCCCC1 ZINC000880142621 635924487 /nfs/dbraw/zinc/92/44/87/635924487.db2.gz RFLJBFKTPRKDKA-HZPDHXFCSA-N 2 2 275.440 3.019 20 30 CGEDLP C#CCCCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569774 636023188 /nfs/dbraw/zinc/02/31/88/636023188.db2.gz KPQHBCOPUPOVGA-SFHVURJKSA-N 2 2 281.403 3.408 20 30 CGEDLP C=C(CC)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569234 636023203 /nfs/dbraw/zinc/02/32/03/636023203.db2.gz IMQRMGLIEZRTKK-INIZCTEOSA-N 2 2 255.365 3.180 20 30 CGEDLP C[C@H](CC(C)(C)C#N)[NH2+]CCCCNc1cccc[nH+]1 ZINC000924924501 638424201 /nfs/dbraw/zinc/42/42/01/638424201.db2.gz ALCKVOAXTBUBAD-CQSZACIVSA-N 2 2 274.412 3.192 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001252132302 806018234 /nfs/dbraw/zinc/01/82/34/806018234.db2.gz FBWDZAQGBSEGCZ-OKZBNKHCSA-N 2 2 296.499 3.124 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001252132302 806018245 /nfs/dbraw/zinc/01/82/45/806018245.db2.gz FBWDZAQGBSEGCZ-OKZBNKHCSA-N 2 2 296.499 3.124 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001252132302 806018256 /nfs/dbraw/zinc/01/82/56/806018256.db2.gz FBWDZAQGBSEGCZ-OKZBNKHCSA-N 2 2 296.499 3.124 20 30 CGEDLP CCCCCCCC[C@H](O)C[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001252132302 806018261 /nfs/dbraw/zinc/01/82/61/806018261.db2.gz FBWDZAQGBSEGCZ-OKZBNKHCSA-N 2 2 296.499 3.124 20 30 CGEDLP CC(C)(C)[NH+]1CCC([N@H+](CCC#N)C2CCCC2)CC1 ZINC001256571806 806919308 /nfs/dbraw/zinc/91/93/08/806919308.db2.gz KXKDAOHRXATJEH-UHFFFAOYSA-N 2 2 277.456 3.408 20 30 CGEDLP CC(C)(C)[NH+]1CCC([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001256571806 806919311 /nfs/dbraw/zinc/91/93/11/806919311.db2.gz KXKDAOHRXATJEH-UHFFFAOYSA-N 2 2 277.456 3.408 20 30 CGEDLP C#C[C@](C)(CC)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256599853 806923482 /nfs/dbraw/zinc/92/34/82/806923482.db2.gz GEMDMGJPPASTDQ-GOSISDBHSA-N 2 2 270.420 3.043 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246032906 804102725 /nfs/dbraw/zinc/10/27/25/804102725.db2.gz MSUPLHFMERCSTK-ROUUACIJSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCCC[C@H](O)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246032906 804102734 /nfs/dbraw/zinc/10/27/34/804102734.db2.gz MSUPLHFMERCSTK-ROUUACIJSA-N 2 2 296.499 3.316 20 30 CGEDLP CCCCCCC[C@H](CCC)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC001246088106 804120305 /nfs/dbraw/zinc/12/03/05/804120305.db2.gz JOEUBMWMZHPADE-HOTGVXAUSA-N 2 2 270.461 3.094 20 30 CGEDLP CCCCCCC[C@H](CC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246092631 804125619 /nfs/dbraw/zinc/12/56/19/804125619.db2.gz SZLJOIBNHGJAIZ-KKUMJFAQSA-N 2 2 258.425 3.415 20 30 CGEDLP CCCCCCCCC[C@H](C)[NH2+][C@@H]1CCOC12C[NH2+]C2 ZINC001246123796 804153492 /nfs/dbraw/zinc/15/34/92/804153492.db2.gz FBPSGSOGJGDGQH-JKSUJKDBSA-N 2 2 282.472 3.236 20 30 CGEDLP CC1(C)C[C@H](Nc2[nH+]cccc2CC#N)C[C@@](C)(C[NH3+])C1 ZINC001169138273 807588118 /nfs/dbraw/zinc/58/81/18/807588118.db2.gz PFVBVFAIMOVVPH-WMLDXEAASA-N 2 2 286.423 3.103 20 30 CGEDLP CC(C)[N@H+]([C@@H](C)Cc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC001171231047 808015395 /nfs/dbraw/zinc/01/53/95/808015395.db2.gz HBJDETJXRAKHGE-INIZCTEOSA-N 2 2 299.462 3.294 20 30 CGEDLP CC(C)[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC001171231047 808015398 /nfs/dbraw/zinc/01/53/98/808015398.db2.gz HBJDETJXRAKHGE-INIZCTEOSA-N 2 2 299.462 3.294 20 30 CGEDLP CC1(C)C[C@@H]([NH2+]CC2(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171977494 808162925 /nfs/dbraw/zinc/16/29/25/808162925.db2.gz BLDCFFPZDNRHGH-KRWDZBQOSA-N 2 2 297.446 3.323 20 30 CGEDLP CC1(C)C[C@@H]([NH2+]CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977494 808162928 /nfs/dbraw/zinc/16/29/28/808162928.db2.gz BLDCFFPZDNRHGH-KRWDZBQOSA-N 2 2 297.446 3.323 20 30 CGEDLP CC1(C#N)CCC([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC1 ZINC001173584618 808646452 /nfs/dbraw/zinc/64/64/52/808646452.db2.gz DKTIUWQABDBIQB-UHFFFAOYSA-N 2 2 297.446 3.180 20 30 CGEDLP C=CCOc1ccc(C[NH+]2CCC([N@@H+](C)CC)CC2)cc1 ZINC001204302642 812605192 /nfs/dbraw/zinc/60/51/92/812605192.db2.gz PKWJCCJODOPDQH-UHFFFAOYSA-N 2 2 288.435 3.168 20 30 CGEDLP C=CCOc1ccc(C[NH+]2CCC([N@H+](C)CC)CC2)cc1 ZINC001204302642 812605196 /nfs/dbraw/zinc/60/51/96/812605196.db2.gz PKWJCCJODOPDQH-UHFFFAOYSA-N 2 2 288.435 3.168 20 30 CGEDLP [NH3+]C1CC[NH+](Cc2ccc(C#Cc3ccccc3)s2)CC1 ZINC001204646176 812700640 /nfs/dbraw/zinc/70/06/40/812700640.db2.gz LDMWLWYBIOXYPH-UHFFFAOYSA-N 2 2 296.439 3.071 20 30 CGEDLP C=CCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001209440799 814041364 /nfs/dbraw/zinc/04/13/64/814041364.db2.gz OOJXLQYNBCWRCG-CVEARBPZSA-N 2 2 250.430 3.291 20 30 CGEDLP C=CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001209440799 814041371 /nfs/dbraw/zinc/04/13/71/814041371.db2.gz OOJXLQYNBCWRCG-CVEARBPZSA-N 2 2 250.430 3.291 20 30 CGEDLP CCCCCCCOc1ccc(C[NH+]2CC(C[NH3+])C2)cc1 ZINC001210546198 814519030 /nfs/dbraw/zinc/51/90/30/814519030.db2.gz UQVGTHDXEPSLPQ-UHFFFAOYSA-N 2 2 290.451 3.426 20 30 CGEDLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1C#Cc1ccccc1 ZINC001235724211 819153730 /nfs/dbraw/zinc/15/37/30/819153730.db2.gz GFTMHFRDUZHSSO-FQEVSTJZSA-N 2 2 290.410 3.010 20 30 CGEDLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccccc1C#Cc1ccccc1 ZINC001235724211 819153732 /nfs/dbraw/zinc/15/37/32/819153732.db2.gz GFTMHFRDUZHSSO-FQEVSTJZSA-N 2 2 290.410 3.010 20 30 CGEDLP CCc1cc(C[N@@H+](CC)C2CC[NH+](C)CC2)ccc1C#N ZINC001238767747 820112779 /nfs/dbraw/zinc/11/27/79/820112779.db2.gz ACWWYJFMVGWTQN-UHFFFAOYSA-N 2 2 285.435 3.037 20 30 CGEDLP CCc1cc(C[N@H+](CC)C2CC[NH+](C)CC2)ccc1C#N ZINC001238767747 820112783 /nfs/dbraw/zinc/11/27/83/820112783.db2.gz ACWWYJFMVGWTQN-UHFFFAOYSA-N 2 2 285.435 3.037 20 30 CGEDLP