smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000048416053 540361807 /nfs/dbraw/zinc/36/18/07/540361807.db2.gz BQVMSFHCKAQNKL-CQSZACIVSA-N 1 2 369.387 2.077 10 30 FEEELO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN([C@@H](C)c2nc(CC)no2)CC1 ZINC000106137810 543207153 /nfs/dbraw/zinc/20/71/53/543207153.db2.gz XQMCYYZBQLCTPD-HOTGVXAUSA-N 1 2 363.506 2.124 10 30 FEEELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000115351394 543561159 /nfs/dbraw/zinc/56/11/59/543561159.db2.gz URVUPJYEHLDNMR-FQEVSTJZSA-N 1 2 365.433 2.198 10 30 FEEELO C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000115351394 543561162 /nfs/dbraw/zinc/56/11/62/543561162.db2.gz URVUPJYEHLDNMR-FQEVSTJZSA-N 1 2 365.433 2.198 10 30 FEEELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2cccc(C#N)c2C)nc[nH+]1 ZINC000178574643 546814484 /nfs/dbraw/zinc/81/44/84/546814484.db2.gz OQXHLVUYQLSBQM-OAHLLOKOSA-N 1 2 365.441 2.489 10 30 FEEELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2cccc(C#N)c2C)[nH+]cn1 ZINC000178574643 546814489 /nfs/dbraw/zinc/81/44/89/546814489.db2.gz OQXHLVUYQLSBQM-OAHLLOKOSA-N 1 2 365.441 2.489 10 30 FEEELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)NCCCCC#N ZINC000178658442 546827599 /nfs/dbraw/zinc/82/75/99/546827599.db2.gz OAQDMSVXRBDXSN-HNNXBMFYSA-N 1 2 350.488 2.457 10 30 FEEELO C[C@H]1CN(Cc2cc(C#N)ccc2Br)C[C@H]1[NH+]1CCOCC1 ZINC000249123140 549556464 /nfs/dbraw/zinc/55/64/64/549556464.db2.gz XCQGCYFIFDIORX-SUMWQHHRSA-N 1 2 364.287 2.473 10 30 FEEELO CCCC(=O)N[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000101565484 543034421 /nfs/dbraw/zinc/03/44/21/543034421.db2.gz NKUAFGCJPJHWCH-KRWDZBQOSA-N 1 2 356.470 2.314 10 30 FEEELO CCCC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000101565484 543034423 /nfs/dbraw/zinc/03/44/23/543034423.db2.gz NKUAFGCJPJHWCH-KRWDZBQOSA-N 1 2 356.470 2.314 10 30 FEEELO Cc1nn(C)c(C)c1C[NH+]1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000106142110 543207627 /nfs/dbraw/zinc/20/76/27/543207627.db2.gz JVVUCZNBMUCYAA-UHFFFAOYSA-N 1 2 353.470 2.105 10 30 FEEELO Cc1ncc(C[NH+]2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)s1 ZINC000110942688 543374703 /nfs/dbraw/zinc/37/47/03/543374703.db2.gz MCBWVZBNRJEHDB-CQSZACIVSA-N 1 2 370.478 2.435 10 30 FEEELO CCn1cnnc1C1CC[NH+](CC(=O)Nc2oc(C)c(C)c2C#N)CC1 ZINC000152153499 544619083 /nfs/dbraw/zinc/61/90/83/544619083.db2.gz RUAHJKJRVXBOOW-UHFFFAOYSA-N 1 2 356.430 2.198 10 30 FEEELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc(C#N)cc2)nc[nH+]1 ZINC000174311070 327318817 /nfs/dbraw/zinc/31/88/17/327318817.db2.gz QJIWEWXGOCBPRB-OAHLLOKOSA-N 1 2 351.414 2.180 10 30 FEEELO N#CCCN(CCC#N)C(=O)CN1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000275941175 526453548 /nfs/dbraw/zinc/45/35/48/526453548.db2.gz LHXRPPBIYVDROR-KRWDZBQOSA-N 1 2 354.458 2.081 10 30 FEEELO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(Cn3cccn3)CC2)C1=O ZINC000177057373 546534650 /nfs/dbraw/zinc/53/46/50/546534650.db2.gz OGXAAEQPCNSJJM-MRXNPFEDSA-N 1 2 355.467 2.334 10 30 FEEELO CCn1cnnc1C1CC[NH+]([C@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000177059621 546535689 /nfs/dbraw/zinc/53/56/89/546535689.db2.gz VBTVJENLUUENBT-KRWDZBQOSA-N 1 2 353.426 2.263 10 30 FEEELO C=CCC1(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CCC1 ZINC000191890275 548352719 /nfs/dbraw/zinc/35/27/19/548352719.db2.gz VOKWSUKRDRYXMY-GOSISDBHSA-N 1 2 358.482 2.317 10 30 FEEELO C[C@H]1C[N@@H+]([C@H](CNC(=O)c2cc(C#N)cn2C)c2cccs2)CCO1 ZINC000246616838 549175116 /nfs/dbraw/zinc/17/51/16/549175116.db2.gz YPADEPFZDRUENF-XJKSGUPXSA-N 1 2 358.467 2.150 10 30 FEEELO C[C@H]1C[N@H+]([C@H](CNC(=O)c2cc(C#N)cn2C)c2cccs2)CCO1 ZINC000246616838 549175120 /nfs/dbraw/zinc/17/51/20/549175120.db2.gz YPADEPFZDRUENF-XJKSGUPXSA-N 1 2 358.467 2.150 10 30 FEEELO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1C ZINC000051591536 205183649 /nfs/dbraw/zinc/18/36/49/205183649.db2.gz XWHMUYUJQHGDBO-GOSISDBHSA-N 1 2 356.470 2.103 10 30 FEEELO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1C ZINC000051591536 205183652 /nfs/dbraw/zinc/18/36/52/205183652.db2.gz XWHMUYUJQHGDBO-GOSISDBHSA-N 1 2 356.470 2.103 10 30 FEEELO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109121830 543314526 /nfs/dbraw/zinc/31/45/26/543314526.db2.gz TYEBIXALXHAHQU-HOTGVXAUSA-N 1 2 363.408 2.143 10 30 FEEELO C#CCOc1ccc(C(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)cc1 ZINC000119968336 543673949 /nfs/dbraw/zinc/67/39/49/543673949.db2.gz GXGFCTAKOKLKIU-UHFFFAOYSA-N 1 2 355.463 2.422 10 30 FEEELO C=C(C)COCCNC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000151535180 544553646 /nfs/dbraw/zinc/55/36/46/544553646.db2.gz NJQAULRXGVCYMY-MRXNPFEDSA-N 1 2 367.515 2.356 10 30 FEEELO Cc1ncc(C[NH+]2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)s1 ZINC000106091347 325579160 /nfs/dbraw/zinc/57/91/60/325579160.db2.gz QFOOJRDXSJBVQO-UHFFFAOYSA-N 1 2 355.467 2.080 10 30 FEEELO N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1Cl ZINC000173729798 327279717 /nfs/dbraw/zinc/27/97/17/327279717.db2.gz IWIGJKHYGMPJMS-CYBMUJFWSA-N 1 2 350.831 2.261 10 30 FEEELO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000177035467 546528702 /nfs/dbraw/zinc/52/87/02/546528702.db2.gz AFWVOPVXLDHLFN-SJORKVTESA-N 1 2 353.426 2.263 10 30 FEEELO CCn1cnnc1[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000177035467 546528705 /nfs/dbraw/zinc/52/87/05/546528705.db2.gz AFWVOPVXLDHLFN-SJORKVTESA-N 1 2 353.426 2.263 10 30 FEEELO Cn1cc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180117251 547054439 /nfs/dbraw/zinc/05/44/39/547054439.db2.gz FEATVDHJHGJHMX-IBGZPJMESA-N 1 2 362.437 2.056 10 30 FEEELO Cn1cc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180117251 547054443 /nfs/dbraw/zinc/05/44/43/547054443.db2.gz FEATVDHJHGJHMX-IBGZPJMESA-N 1 2 362.437 2.056 10 30 FEEELO C=CCN(CCOC)C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000189444323 548303742 /nfs/dbraw/zinc/30/37/42/548303742.db2.gz QISDCILXFKXUNW-MRXNPFEDSA-N 1 2 367.515 2.274 10 30 FEEELO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000106144742 543207877 /nfs/dbraw/zinc/20/78/77/543207877.db2.gz XQPTYTLYAZTXQQ-SFHVURJKSA-N 1 2 373.545 2.345 10 30 FEEELO C[NH+](C)C[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)c1ccccc1 ZINC000124101209 543800619 /nfs/dbraw/zinc/80/06/19/543800619.db2.gz LLDDVTYDJYKEML-INIZCTEOSA-N 1 2 365.405 2.418 10 30 FEEELO Cc1cnn([C@H]2CCC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)c1 ZINC000128644680 544064285 /nfs/dbraw/zinc/06/42/85/544064285.db2.gz KYPKIXZTNJLZIH-KRWDZBQOSA-N 1 2 358.467 2.174 10 30 FEEELO Cc1cnn([C@H]2CCC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)c1 ZINC000128644680 544064287 /nfs/dbraw/zinc/06/42/87/544064287.db2.gz KYPKIXZTNJLZIH-KRWDZBQOSA-N 1 2 358.467 2.174 10 30 FEEELO C=C(C)COCCNC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000151535099 544553346 /nfs/dbraw/zinc/55/33/46/544553346.db2.gz NJQAULRXGVCYMY-INIZCTEOSA-N 1 2 367.515 2.356 10 30 FEEELO C#CCSCCNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000154796892 544950438 /nfs/dbraw/zinc/95/04/38/544950438.db2.gz AZRKJKONSBEYOS-UHFFFAOYSA-N 1 2 352.529 2.035 10 30 FEEELO C#CCSCCNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000154796892 544950445 /nfs/dbraw/zinc/95/04/45/544950445.db2.gz AZRKJKONSBEYOS-UHFFFAOYSA-N 1 2 352.529 2.035 10 30 FEEELO Cc1nc(C[C@H]2CCC[N@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)no1 ZINC000171405315 327137205 /nfs/dbraw/zinc/13/72/05/327137205.db2.gz LKANPMMMNNGUOQ-CQSZACIVSA-N 1 2 357.414 2.353 10 30 FEEELO Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)Nc3oc(C)c(C)c3C#N)C2)no1 ZINC000171405315 327137206 /nfs/dbraw/zinc/13/72/06/327137206.db2.gz LKANPMMMNNGUOQ-CQSZACIVSA-N 1 2 357.414 2.353 10 30 FEEELO N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(Nc3cccnn3)CC2)C1=O ZINC000177052215 327493531 /nfs/dbraw/zinc/49/35/31/327493531.db2.gz HYYIUJGJPFHUBA-OAHLLOKOSA-N 1 2 368.466 2.092 10 30 FEEELO C[C@H](NC(=O)[C@H](C)[NH+]1CCN(c2ncccc2C#N)CC1)c1ccccc1 ZINC000253375574 328797958 /nfs/dbraw/zinc/79/79/58/328797958.db2.gz QGCUAXQXQXWWEF-IRXDYDNUSA-N 1 2 363.465 2.341 10 30 FEEELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2cc(C#N)ccc2C)nc[nH+]1 ZINC000175749295 546342964 /nfs/dbraw/zinc/34/29/64/546342964.db2.gz KHFVUHOSUAURNF-OAHLLOKOSA-N 1 2 365.441 2.489 10 30 FEEELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2cc(C#N)ccc2C)[nH+]cn1 ZINC000175749295 546342965 /nfs/dbraw/zinc/34/29/65/546342965.db2.gz KHFVUHOSUAURNF-OAHLLOKOSA-N 1 2 365.441 2.489 10 30 FEEELO C[C@H]1CN(Cc2ccc(C#N)cc2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000181141702 547256215 /nfs/dbraw/zinc/25/62/15/547256215.db2.gz CRSSXGAJPKVETC-GUYCJALGSA-N 1 2 364.287 2.473 10 30 FEEELO Cc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)nn1 ZINC000247812571 549384668 /nfs/dbraw/zinc/38/46/68/549384668.db2.gz VHBWLJDABUKVKE-MRXNPFEDSA-N 1 2 364.453 2.196 10 30 FEEELO Cc1ccc(N2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)CC2)nn1 ZINC000247812571 549384670 /nfs/dbraw/zinc/38/46/70/549384670.db2.gz VHBWLJDABUKVKE-MRXNPFEDSA-N 1 2 364.453 2.196 10 30 FEEELO N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000301571762 553662232 /nfs/dbraw/zinc/66/22/32/553662232.db2.gz YGDSVELVQFHLBJ-UHFFFAOYSA-N 1 2 367.434 2.063 10 30 FEEELO Cc1ccc(S(=O)(=O)N2CCN(c3cc(C)[nH+]c(C)c3C#N)CC2)cc1 ZINC000301785992 553678964 /nfs/dbraw/zinc/67/89/64/553678964.db2.gz OZWFRQPJHUHOST-UHFFFAOYSA-N 1 2 370.478 2.389 10 30 FEEELO CCc1noc([C@@H](C)N2CC[NH+](CCOc3cccc(C#N)c3)CC2)n1 ZINC000106137031 543207348 /nfs/dbraw/zinc/20/73/48/543207348.db2.gz PTRMXOLODCNRLG-OAHLLOKOSA-N 1 2 355.442 2.261 10 30 FEEELO C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000120864081 543685793 /nfs/dbraw/zinc/68/57/93/543685793.db2.gz URGYIEKTIXXXJF-OKILXGFUSA-N 1 2 354.372 2.282 10 30 FEEELO C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000120864081 543685795 /nfs/dbraw/zinc/68/57/95/543685795.db2.gz URGYIEKTIXXXJF-OKILXGFUSA-N 1 2 354.372 2.282 10 30 FEEELO CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000123070677 543740554 /nfs/dbraw/zinc/74/05/54/543740554.db2.gz LDYVVAKOKNTIPD-MRXNPFEDSA-N 1 2 362.861 2.139 10 30 FEEELO CN(C)C(=O)[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000123070677 543740557 /nfs/dbraw/zinc/74/05/57/543740557.db2.gz LDYVVAKOKNTIPD-MRXNPFEDSA-N 1 2 362.861 2.139 10 30 FEEELO N#Cc1cc(C(=O)N2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)c[nH]1 ZINC000181368480 547303014 /nfs/dbraw/zinc/30/30/14/547303014.db2.gz UXMJYDVORZKHOF-UHFFFAOYSA-N 1 2 360.421 2.030 10 30 FEEELO C=CCN(CCOC)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000189444693 548303358 /nfs/dbraw/zinc/30/33/58/548303358.db2.gz PSOFSQXHXAOKNA-HOTGVXAUSA-N 1 2 367.515 2.354 10 30 FEEELO C=CCN(CCOC)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000189444693 548303361 /nfs/dbraw/zinc/30/33/61/548303361.db2.gz PSOFSQXHXAOKNA-HOTGVXAUSA-N 1 2 367.515 2.354 10 30 FEEELO CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000249680463 549615303 /nfs/dbraw/zinc/61/53/03/549615303.db2.gz AYZWVYKTKABXLK-RHSMWYFYSA-N 1 2 360.433 2.061 10 30 FEEELO CC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000249680463 549615306 /nfs/dbraw/zinc/61/53/06/549615306.db2.gz AYZWVYKTKABXLK-RHSMWYFYSA-N 1 2 360.433 2.061 10 30 FEEELO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCN(c3cccnn3)CC2)c1C ZINC000106070478 543189164 /nfs/dbraw/zinc/18/91/64/543189164.db2.gz OIEKJZORJZSZRD-UHFFFAOYSA-N 1 2 353.470 2.476 10 30 FEEELO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCN(c3cccnn3)CC2)c1C ZINC000106070478 543189167 /nfs/dbraw/zinc/18/91/67/543189167.db2.gz OIEKJZORJZSZRD-UHFFFAOYSA-N 1 2 353.470 2.476 10 30 FEEELO Cc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)nn1 ZINC000106072712 543189474 /nfs/dbraw/zinc/18/94/74/543189474.db2.gz VHBWLJDABUKVKE-INIZCTEOSA-N 1 2 364.453 2.196 10 30 FEEELO Cc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)nn1 ZINC000106072712 543189477 /nfs/dbraw/zinc/18/94/77/543189477.db2.gz VHBWLJDABUKVKE-INIZCTEOSA-N 1 2 364.453 2.196 10 30 FEEELO C[C@H]1CN(Cc2cc(C#N)ccc2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000191806300 328282961 /nfs/dbraw/zinc/28/29/61/328282961.db2.gz XCQGCYFIFDIORX-GUYCJALGSA-N 1 2 364.287 2.473 10 30 FEEELO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1nnc2n1CCCC2 ZINC000176800366 546489503 /nfs/dbraw/zinc/48/95/03/546489503.db2.gz OTLQFMJNCROBRV-DGCLKSJQSA-N 1 2 356.455 2.004 10 30 FEEELO C=CCC1(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)CCC1 ZINC000191890266 548352546 /nfs/dbraw/zinc/35/25/46/548352546.db2.gz VOKWSUKRDRYXMY-SFHVURJKSA-N 1 2 358.482 2.317 10 30 FEEELO CN(C)c1ccc(N[C@H]2CCCN(C([O-])=[NH+]CCn3cccn3)CC2)c[nH+]1 ZINC000328630509 553799680 /nfs/dbraw/zinc/79/96/80/553799680.db2.gz JKKIRMXVMFFEIM-INIZCTEOSA-N 1 2 371.489 2.225 10 30 FEEELO CN(C)c1ccc(N[C@H]2CCCN(C(=O)NCCn3cccn3)CC2)c[nH+]1 ZINC000328630509 553799683 /nfs/dbraw/zinc/79/96/83/553799683.db2.gz JKKIRMXVMFFEIM-INIZCTEOSA-N 1 2 371.489 2.225 10 30 FEEELO N#Cc1ccc(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)nc1 ZINC000328645356 553801272 /nfs/dbraw/zinc/80/12/72/553801272.db2.gz ZPGUUXICGBGFKG-MRXNPFEDSA-N 1 2 363.421 2.242 10 30 FEEELO C=CCCOCCNC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000121158615 543690346 /nfs/dbraw/zinc/69/03/46/543690346.db2.gz JDDFJLPCKMLLJW-INIZCTEOSA-N 1 2 367.515 2.322 10 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COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000177034922 546528220 /nfs/dbraw/zinc/52/82/20/546528220.db2.gz OSSGNDRJFJOBBL-YJBOKZPZSA-N 1 2 354.410 2.419 10 30 FEEELO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000177034922 546528222 /nfs/dbraw/zinc/52/82/22/546528222.db2.gz OSSGNDRJFJOBBL-YJBOKZPZSA-N 1 2 354.410 2.419 10 30 FEEELO C=CCN(CCOC)C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000189444344 548303965 /nfs/dbraw/zinc/30/39/65/548303965.db2.gz QISDCILXFKXUNW-INIZCTEOSA-N 1 2 367.515 2.274 10 30 FEEELO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000246511740 549149876 /nfs/dbraw/zinc/14/98/76/549149876.db2.gz BRVHOBXRNIZKSE-HACGYAERSA-N 1 2 351.397 2.081 10 30 FEEELO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000246511740 549149881 /nfs/dbraw/zinc/14/98/81/549149881.db2.gz BRVHOBXRNIZKSE-HACGYAERSA-N 1 2 351.397 2.081 10 30 FEEELO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000329253337 673074522 /nfs/dbraw/zinc/07/45/22/673074522.db2.gz ZCBHKYPGOMCTEP-UKRRQHHQSA-N 1 2 354.495 2.134 10 30 FEEELO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000329253337 673074526 /nfs/dbraw/zinc/07/45/26/673074526.db2.gz ZCBHKYPGOMCTEP-UKRRQHHQSA-N 1 2 354.495 2.134 10 30 FEEELO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000106144745 543207647 /nfs/dbraw/zinc/20/76/47/543207647.db2.gz XQPTYTLYAZTXQQ-GOSISDBHSA-N 1 2 373.545 2.345 10 30 FEEELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000115751701 543583741 /nfs/dbraw/zinc/58/37/41/543583741.db2.gz IQYIYOUNZHRCIS-UHFFFAOYSA-N 1 2 366.469 2.453 10 30 FEEELO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1nnc2n1CCCC2 ZINC000176800384 546489783 /nfs/dbraw/zinc/48/97/83/546489783.db2.gz OTLQFMJNCROBRV-AAEUAGOBSA-N 1 2 356.455 2.004 10 30 FEEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000246419287 549129725 /nfs/dbraw/zinc/12/97/25/549129725.db2.gz KMSOLUAZIJZZED-PKOBYXMFSA-N 1 2 367.453 2.393 10 30 FEEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000246419287 549129730 /nfs/dbraw/zinc/12/97/30/549129730.db2.gz KMSOLUAZIJZZED-PKOBYXMFSA-N 1 2 367.453 2.393 10 30 FEEELO C[C@H]1C[N@@H+]([C@H](CNC(=O)N2CCC(C#N)CC2)c2cccs2)CCO1 ZINC000248371858 549424053 /nfs/dbraw/zinc/42/40/53/549424053.db2.gz ZEPKHJSQRMSNSG-GOEBONIOSA-N 1 2 362.499 2.455 10 30 FEEELO C[C@H]1C[N@H+]([C@H](CNC(=O)N2CCC(C#N)CC2)c2cccs2)CCO1 ZINC000248371858 549424055 /nfs/dbraw/zinc/42/40/55/549424055.db2.gz ZEPKHJSQRMSNSG-GOEBONIOSA-N 1 2 362.499 2.455 10 30 FEEELO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000108357448 543287535 /nfs/dbraw/zinc/28/75/35/543287535.db2.gz AFHLDQMKXNEWOL-GDBMZVCRSA-N 1 2 374.510 2.429 10 30 FEEELO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000108357448 543287538 /nfs/dbraw/zinc/28/75/38/543287538.db2.gz AFHLDQMKXNEWOL-GDBMZVCRSA-N 1 2 374.510 2.429 10 30 FEEELO CCn1cc([C@@H]2C[N@H+](CCOc3ccc(C#N)cc3OC)CCO2)cn1 ZINC000190827362 328234551 /nfs/dbraw/zinc/23/45/51/328234551.db2.gz PDAKQNSPTHMXSI-IBGZPJMESA-N 1 2 356.426 2.236 10 30 FEEELO CCn1cc([C@@H]2C[N@@H+](CCOc3ccc(C#N)cc3OC)CCO2)cn1 ZINC000190827362 328234552 /nfs/dbraw/zinc/23/45/52/328234552.db2.gz PDAKQNSPTHMXSI-IBGZPJMESA-N 1 2 356.426 2.236 10 30 FEEELO Cc1ncc(C[NH+]2CCN(Cc3cnc4ccc(C#N)cn34)CC2)s1 ZINC000120435935 326258770 /nfs/dbraw/zinc/25/87/70/326258770.db2.gz GFXLUXYILWDFPA-UHFFFAOYSA-N 1 2 352.467 2.289 10 30 FEEELO Cc1cnn([C@@H]2CCC[N@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)c1 ZINC000176234605 546422282 /nfs/dbraw/zinc/42/22/82/546422282.db2.gz KCDSWXYEZDHVJA-QGZVFWFLSA-N 1 2 358.467 2.174 10 30 FEEELO Cc1cnn([C@@H]2CCC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)c1 ZINC000176234605 546422287 /nfs/dbraw/zinc/42/22/87/546422287.db2.gz KCDSWXYEZDHVJA-QGZVFWFLSA-N 1 2 358.467 2.174 10 30 FEEELO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000106090273 543194583 /nfs/dbraw/zinc/19/45/83/543194583.db2.gz CASCZXXSFAGPBR-OAHLLOKOSA-N 1 2 350.532 2.382 10 30 FEEELO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(Cc2cnc(C)s2)CC1 ZINC000106090273 543194585 /nfs/dbraw/zinc/19/45/85/543194585.db2.gz CASCZXXSFAGPBR-OAHLLOKOSA-N 1 2 350.532 2.382 10 30 FEEELO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000106137815 543207267 /nfs/dbraw/zinc/20/72/67/543207267.db2.gz XQMCYYZBQLCTPD-HZPDHXFCSA-N 1 2 363.506 2.124 10 30 FEEELO N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109121836 543314561 /nfs/dbraw/zinc/31/45/61/543314561.db2.gz TYEBIXALXHAHQU-JKSUJKDBSA-N 1 2 363.408 2.143 10 30 FEEELO CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1ccc(C#N)c(O)c1 ZINC000188612237 328098704 /nfs/dbraw/zinc/09/87/04/328098704.db2.gz JVBZYBFAOYULOO-INIZCTEOSA-N 1 2 371.462 2.471 10 30 FEEELO CNc1cc(N2CCC[C@H]2CNC(=O)c2c(F)cc(C#N)cc2F)nc[nH+]1 ZINC000121382882 326334762 /nfs/dbraw/zinc/33/47/62/326334762.db2.gz SNCSIBHTTOOOOZ-LBPRGKRZSA-N 1 2 372.379 2.067 10 30 FEEELO CNc1cc(N2CCC[C@H]2CNC(=O)c2c(F)cc(C#N)cc2F)[nH+]cn1 ZINC000121382882 326334764 /nfs/dbraw/zinc/33/47/64/326334764.db2.gz SNCSIBHTTOOOOZ-LBPRGKRZSA-N 1 2 372.379 2.067 10 30 FEEELO COCCN1CC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000180100103 547051415 /nfs/dbraw/zinc/05/14/15/547051415.db2.gz QDQIQTJAXMTEIP-MRXNPFEDSA-N 1 2 353.470 2.111 10 30 FEEELO COCCN1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000180100103 547051418 /nfs/dbraw/zinc/05/14/18/547051418.db2.gz QDQIQTJAXMTEIP-MRXNPFEDSA-N 1 2 353.470 2.111 10 30 FEEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000246596857 549170663 /nfs/dbraw/zinc/17/06/63/549170663.db2.gz XEJLNXQRHGIATD-IEBWSBKVSA-N 1 2 365.437 2.163 10 30 FEEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000246596857 549170668 /nfs/dbraw/zinc/17/06/68/549170668.db2.gz XEJLNXQRHGIATD-IEBWSBKVSA-N 1 2 365.437 2.163 10 30 FEEELO CN(C)c1ccc(N[C@@H]2CCCN(C([O-])=[NH+]CCn3cccn3)CC2)c[nH+]1 ZINC000328630510 553799819 /nfs/dbraw/zinc/79/98/19/553799819.db2.gz JKKIRMXVMFFEIM-MRXNPFEDSA-N 1 2 371.489 2.225 10 30 FEEELO CN(C)c1ccc(N[C@@H]2CCCN(C(=O)NCCn3cccn3)CC2)c[nH+]1 ZINC000328630510 553799820 /nfs/dbraw/zinc/79/98/20/553799820.db2.gz JKKIRMXVMFFEIM-MRXNPFEDSA-N 1 2 371.489 2.225 10 30 FEEELO C=CCOc1ccc(/C=C/C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1OC ZINC000046269285 540250415 /nfs/dbraw/zinc/25/04/15/540250415.db2.gz DGEPEHIMGVDJJS-IQIBNGDESA-N 1 2 360.454 2.110 10 30 FEEELO Cc1ncc(C[NH+]2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)s1 ZINC000127186717 543977358 /nfs/dbraw/zinc/97/73/58/543977358.db2.gz NTYTYCRTLVVBEH-UHFFFAOYSA-N 1 2 370.478 2.241 10 30 FEEELO C=CCCOCCNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000127220746 543979055 /nfs/dbraw/zinc/97/90/55/543979055.db2.gz QXSGTYTVZURSJD-UHFFFAOYSA-N 1 2 352.504 2.262 10 30 FEEELO C=CCCOCCNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000127220746 543979058 /nfs/dbraw/zinc/97/90/58/543979058.db2.gz QXSGTYTVZURSJD-UHFFFAOYSA-N 1 2 352.504 2.262 10 30 FEEELO C=CCc1cc(C[N@@H+]2CCO[C@@H](c3nnc(CC)[nH]3)C2)cc(OC)c1O ZINC000129085503 544090170 /nfs/dbraw/zinc/09/01/70/544090170.db2.gz XUGBNOGIWIWAQG-MRXNPFEDSA-N 1 2 358.442 2.383 10 30 FEEELO C=CCc1cc(C[N@H+]2CCO[C@@H](c3nnc(CC)[nH]3)C2)cc(OC)c1O ZINC000129085503 544090173 /nfs/dbraw/zinc/09/01/73/544090173.db2.gz XUGBNOGIWIWAQG-MRXNPFEDSA-N 1 2 358.442 2.383 10 30 FEEELO CCc1noc([C@@H](C)N2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)n1 ZINC000120869925 326294790 /nfs/dbraw/zinc/29/47/90/326294790.db2.gz POHKEMPWGNVWFY-CQSZACIVSA-N 1 2 355.442 2.391 10 30 FEEELO C#Cc1cccc(NC(=O)NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)c1 ZINC000174786093 546303763 /nfs/dbraw/zinc/30/37/63/546303763.db2.gz YEHDKKFEWMJJKE-INIZCTEOSA-N 1 2 350.426 2.290 10 30 FEEELO C#Cc1cccc(NC(=O)NC[C@@H]2CCCN2c2cc(NC)nc[nH+]2)c1 ZINC000174786093 546303764 /nfs/dbraw/zinc/30/37/64/546303764.db2.gz YEHDKKFEWMJJKE-INIZCTEOSA-N 1 2 350.426 2.290 10 30 FEEELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc(F)cc2C#N)nc[nH+]1 ZINC000177900635 546705662 /nfs/dbraw/zinc/70/56/62/546705662.db2.gz YLLKGATUOLHAKK-CQSZACIVSA-N 1 2 369.404 2.320 10 30 FEEELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc(F)cc2C#N)[nH+]cn1 ZINC000177900635 546705666 /nfs/dbraw/zinc/70/56/66/546705666.db2.gz YLLKGATUOLHAKK-CQSZACIVSA-N 1 2 369.404 2.320 10 30 FEEELO C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000194602835 548503542 /nfs/dbraw/zinc/50/35/42/548503542.db2.gz UOHYERJQPVGREK-HXUWFJFHSA-N 1 2 365.433 2.198 10 30 FEEELO C[N@H+]1CCO[C@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000194602835 548503547 /nfs/dbraw/zinc/50/35/47/548503547.db2.gz UOHYERJQPVGREK-HXUWFJFHSA-N 1 2 365.433 2.198 10 30 FEEELO C[C@@H]1CN(Cc2ccc(C#N)cc2Br)C[C@H]1[NH+]1CCOCC1 ZINC000245531648 548940665 /nfs/dbraw/zinc/94/06/65/548940665.db2.gz CRSSXGAJPKVETC-CXAGYDPISA-N 1 2 364.287 2.473 10 30 FEEELO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246511753 549150003 /nfs/dbraw/zinc/15/00/03/549150003.db2.gz BRVHOBXRNIZKSE-IFIJOSMWSA-N 1 2 351.397 2.081 10 30 FEEELO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246511753 549150005 /nfs/dbraw/zinc/15/00/05/549150005.db2.gz BRVHOBXRNIZKSE-IFIJOSMWSA-N 1 2 351.397 2.081 10 30 FEEELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)c2ccc(C#N)cn2)c2cccs2)CCO1 ZINC000246644383 549181560 /nfs/dbraw/zinc/18/15/60/549181560.db2.gz BNUQWQUSCIUCQF-CZUORRHYSA-N 1 2 356.451 2.207 10 30 FEEELO C[C@@H]1C[N@H+]([C@H](CNC(=O)c2ccc(C#N)cn2)c2cccs2)CCO1 ZINC000246644383 549181562 /nfs/dbraw/zinc/18/15/62/549181562.db2.gz BNUQWQUSCIUCQF-CZUORRHYSA-N 1 2 356.451 2.207 10 30 FEEELO CS(=O)(=O)N(C1CCC1)[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000328621640 553797080 /nfs/dbraw/zinc/79/70/80/553797080.db2.gz AODXYELTUSVAGE-NVXWUHKLSA-N 1 2 352.504 2.099 10 30 FEEELO CS(=O)(=O)N(C1CCC1)[C@@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000328621640 553797082 /nfs/dbraw/zinc/79/70/82/553797082.db2.gz AODXYELTUSVAGE-NVXWUHKLSA-N 1 2 352.504 2.099 10 30 FEEELO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000053815877 540556522 /nfs/dbraw/zinc/55/65/22/540556522.db2.gz PXBZIUCBYIIAOM-GOSISDBHSA-N 1 2 356.470 2.103 10 30 FEEELO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000053815877 540556526 /nfs/dbraw/zinc/55/65/26/540556526.db2.gz PXBZIUCBYIIAOM-GOSISDBHSA-N 1 2 356.470 2.103 10 30 FEEELO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000066896500 541388934 /nfs/dbraw/zinc/38/89/34/541388934.db2.gz KPKJLRWOZHBGAK-SFHVURJKSA-N 1 2 354.454 2.494 10 30 FEEELO CC1(C)CO[C@H](c2ccccc2)C[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000066896500 541388935 /nfs/dbraw/zinc/38/89/35/541388935.db2.gz KPKJLRWOZHBGAK-SFHVURJKSA-N 1 2 354.454 2.494 10 30 FEEELO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000106190523 543215446 /nfs/dbraw/zinc/21/54/46/543215446.db2.gz ICKGXPWCASGGBV-SJORKVTESA-N 1 2 374.510 2.249 10 30 FEEELO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000106190523 543215447 /nfs/dbraw/zinc/21/54/47/543215447.db2.gz 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C=CCOc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1OC ZINC000173852774 546287471 /nfs/dbraw/zinc/28/74/71/546287471.db2.gz MORMYJHPPGLINY-RDJZCZTQSA-N 1 2 360.454 2.053 10 30 FEEELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc(F)c(C#N)c2)nc[nH+]1 ZINC000176091835 546405079 /nfs/dbraw/zinc/40/50/79/546405079.db2.gz KFZYCWHKRRKZPW-CQSZACIVSA-N 1 2 369.404 2.320 10 30 FEEELO CNc1cc(N2CCC[C@@H]2CNC(=O)Nc2ccc(F)c(C#N)c2)[nH+]cn1 ZINC000176091835 546405081 /nfs/dbraw/zinc/40/50/81/546405081.db2.gz KFZYCWHKRRKZPW-CQSZACIVSA-N 1 2 369.404 2.320 10 30 FEEELO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247102961 549283846 /nfs/dbraw/zinc/28/38/46/549283846.db2.gz OKMUAFYRKXECEO-AWEZNQCLSA-N 1 2 373.400 2.436 10 30 FEEELO N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000247102961 549283848 /nfs/dbraw/zinc/28/38/48/549283848.db2.gz OKMUAFYRKXECEO-AWEZNQCLSA-N 1 2 373.400 2.436 10 30 FEEELO Cc1cc(N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c(C#N)c(C)[nH+]1 ZINC000301791035 553679520 /nfs/dbraw/zinc/67/95/20/553679520.db2.gz QRPQSLNPRBJJOY-UHFFFAOYSA-N 1 2 374.441 2.220 10 30 FEEELO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c(C#N)n3)CC2)cc1F ZINC000302756636 553731227 /nfs/dbraw/zinc/73/12/27/553731227.db2.gz WVYBUZUFGDBDBX-UHFFFAOYSA-N 1 2 371.372 2.331 10 30 FEEELO N#Cc1ccc(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)nc1 ZINC000328645350 553801488 /nfs/dbraw/zinc/80/14/88/553801488.db2.gz ZPGUUXICGBGFKG-INIZCTEOSA-N 1 2 363.421 2.242 10 30 FEEELO Cc1ncc(C[NH+]2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)s1 ZINC000106091712 543194691 /nfs/dbraw/zinc/19/46/91/543194691.db2.gz IGIKUAYDMDTPOO-UHFFFAOYSA-N 1 2 369.494 2.470 10 30 FEEELO CCOc1cc(C)nc(N2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)n1 ZINC000135053077 544332449 /nfs/dbraw/zinc/33/24/49/544332449.db2.gz SHWNTKMQXYKHTE-UHFFFAOYSA-N 1 2 367.453 2.386 10 30 FEEELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1ccc(C#N)c(O)c1 ZINC000188612257 328098810 /nfs/dbraw/zinc/09/88/10/328098810.db2.gz JVBZYBFAOYULOO-MRXNPFEDSA-N 1 2 371.462 2.471 10 30 FEEELO 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Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 ZINC000115388864 543563980 /nfs/dbraw/zinc/56/39/80/543563980.db2.gz QUYSQUAWLBSOQR-UHFFFAOYSA-N 1 2 365.481 2.186 10 30 FEEELO COc1cc(C#N)ccc1OCCS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000132895736 544247799 /nfs/dbraw/zinc/24/77/99/544247799.db2.gz XMRRYJCLHRENKP-UHFFFAOYSA-N 1 2 363.439 2.338 10 30 FEEELO C=CCc1cc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc(OC)c1OC ZINC000173825026 546287303 /nfs/dbraw/zinc/28/73/03/546287303.db2.gz CKGDTUGVPICQPY-CRAIPNDOSA-N 1 2 374.481 2.225 10 30 FEEELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccc(F)c(C#N)c2)nc[nH+]1 ZINC000176091857 546405369 /nfs/dbraw/zinc/40/53/69/546405369.db2.gz KFZYCWHKRRKZPW-AWEZNQCLSA-N 1 2 369.404 2.320 10 30 FEEELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccc(F)c(C#N)c2)[nH+]cn1 ZINC000176091857 546405376 /nfs/dbraw/zinc/40/53/76/546405376.db2.gz KFZYCWHKRRKZPW-AWEZNQCLSA-N 1 2 369.404 2.320 10 30 FEEELO C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000176347647 546434630 /nfs/dbraw/zinc/43/46/30/546434630.db2.gz ZGGOCGKMEIDLMH-QGZVFWFLSA-N 1 2 353.426 2.495 10 30 FEEELO C=CCCOCCNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000245709223 548980184 /nfs/dbraw/zinc/98/01/84/548980184.db2.gz ZDMCMDUWANFEFT-HZPDHXFCSA-N 1 2 367.515 2.402 10 30 FEEELO C=CCCOCCNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000245709223 548980187 /nfs/dbraw/zinc/98/01/87/548980187.db2.gz ZDMCMDUWANFEFT-HZPDHXFCSA-N 1 2 367.515 2.402 10 30 FEEELO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246279337 549096100 /nfs/dbraw/zinc/09/61/00/549096100.db2.gz AFWVOPVXLDHLFN-IAGOWNOFSA-N 1 2 353.426 2.263 10 30 FEEELO CCn1cnnc1[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000246279337 549096104 /nfs/dbraw/zinc/09/61/04/549096104.db2.gz AFWVOPVXLDHLFN-IAGOWNOFSA-N 1 2 353.426 2.263 10 30 FEEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000246596865 549170532 /nfs/dbraw/zinc/17/05/32/549170532.db2.gz XEJLNXQRHGIATD-PKOBYXMFSA-N 1 2 365.437 2.163 10 30 FEEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000246596865 549170540 /nfs/dbraw/zinc/17/05/40/549170540.db2.gz XEJLNXQRHGIATD-PKOBYXMFSA-N 1 2 365.437 2.163 10 30 FEEELO C[C@H]1COC[C@H](C)[NH+]1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000120864261 543685577 /nfs/dbraw/zinc/68/55/77/543685577.db2.gz URGYIEKTIXXXJF-KBPBESRZSA-N 1 2 354.372 2.282 10 30 FEEELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 ZINC000172224962 327188308 /nfs/dbraw/zinc/18/83/08/327188308.db2.gz JKFWSZKCVNYRPR-CMDGGOBGSA-N 1 2 363.465 2.266 10 30 FEEELO Cc1csc([C@@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)CCO2)n1 ZINC000195388643 548633200 /nfs/dbraw/zinc/63/32/00/548633200.db2.gz AMOCRSLYWWKYQI-RDJZCZTQSA-N 1 2 359.451 2.136 10 30 FEEELO Cc1csc([C@@H]2C[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)CCO2)n1 ZINC000195388643 548633205 /nfs/dbraw/zinc/63/32/05/548633205.db2.gz AMOCRSLYWWKYQI-RDJZCZTQSA-N 1 2 359.451 2.136 10 30 FEEELO C[C@@H]1C[NH+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H](C)O1 ZINC000025411985 539758876 /nfs/dbraw/zinc/75/88/76/539758876.db2.gz OPZCWFYYRTZFFU-ZIAGYGMSSA-N 1 2 354.372 2.282 10 30 FEEELO C[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)[NH+]1CCOCC1 ZINC000076544551 542291203 /nfs/dbraw/zinc/29/12/03/542291203.db2.gz PMRMYPOFEAPUGD-LLVKDONJSA-N 1 2 354.357 2.002 10 30 FEEELO COc1ccc(CN(Cc2cn3c([nH+]2)CCCC3)S(C)(=O)=O)cc1C#N ZINC000328630194 533549192 /nfs/dbraw/zinc/54/91/92/533549192.db2.gz POFHXRHQYSXPNV-UHFFFAOYSA-N 1 2 374.466 2.061 10 30 FEEELO C=CCNC(=O)[C@@H](C)[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000152898505 544708861 /nfs/dbraw/zinc/70/88/61/544708861.db2.gz GZVAADOXLJOJJW-MRXNPFEDSA-N 1 2 354.454 2.150 10 30 FEEELO Cc1oc(NC(=O)C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c(C#N)c1C ZINC000188091672 328065326 /nfs/dbraw/zinc/06/53/26/328065326.db2.gz ZYYXCIIAUFZGNS-HOCLYGCPSA-N 1 2 359.451 2.476 10 30 FEEELO Cc1oc(NC(=O)C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c(C#N)c1C ZINC000188091672 328065328 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548123526 /nfs/dbraw/zinc/12/35/26/548123526.db2.gz NDRXIUHNFCCSCW-INIZCTEOSA-N 1 2 361.243 2.220 10 30 FEEELO CN(C)c1ccc(N[C@H]2CCCN(C(=O)c3cc(C#N)cn3C)CC2)c[nH+]1 ZINC000328638505 553800652 /nfs/dbraw/zinc/80/06/52/553800652.db2.gz PBUVWSBYXDAGLQ-INIZCTEOSA-N 1 2 366.469 2.465 10 30 FEEELO N#Cc1ccccc1OCC[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106095910 543194655 /nfs/dbraw/zinc/19/46/55/543194655.db2.gz RUORFIGDQQHOKT-FQEVSTJZSA-N 1 2 351.450 2.288 10 30 FEEELO CC(C)c1[nH+]c2c(n1C)CCN(CCS(=O)(=O)c1cccc(C#N)c1)C2 ZINC000128654284 326527685 /nfs/dbraw/zinc/52/76/85/326527685.db2.gz GDXONFXGXGUKJQ-UHFFFAOYSA-N 1 2 372.494 2.247 10 30 FEEELO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1nnc2n1CCCC2 ZINC000176800401 327476611 /nfs/dbraw/zinc/47/66/11/327476611.db2.gz OTLQFMJNCROBRV-YPMHNXCESA-N 1 2 356.455 2.004 10 30 FEEELO CCc1noc([C@@H](C)N2CC[NH+](Cc3cc(C#N)ccc3OC)CC2)n1 ZINC000159948446 545994736 /nfs/dbraw/zinc/99/47/36/545994736.db2.gz DLNHGSSKHDQMJU-CQSZACIVSA-N 1 2 355.442 2.391 10 30 FEEELO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1nnc2n1CCCC2 ZINC000176800354 546490087 /nfs/dbraw/zinc/49/00/87/546490087.db2.gz OTLQFMJNCROBRV-WCQYABFASA-N 1 2 356.455 2.004 10 30 FEEELO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000182790817 547552860 /nfs/dbraw/zinc/55/28/60/547552860.db2.gz LCWGXWBTOFRCJA-UHFFFAOYSA-N 1 2 365.437 2.247 10 30 FEEELO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000191925172 548352662 /nfs/dbraw/zinc/35/26/62/548352662.db2.gz DZBDFSCCRLSHOG-MRXNPFEDSA-N 1 2 373.497 2.314 10 30 FEEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000246419273 549129965 /nfs/dbraw/zinc/12/99/65/549129965.db2.gz KMSOLUAZIJZZED-IEBWSBKVSA-N 1 2 367.453 2.393 10 30 FEEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000246419273 549129966 /nfs/dbraw/zinc/12/99/66/549129966.db2.gz KMSOLUAZIJZZED-IEBWSBKVSA-N 1 2 367.453 2.393 10 30 FEEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000246481314 549143057 /nfs/dbraw/zinc/14/30/57/549143057.db2.gz OSSGNDRJFJOBBL-CRAIPNDOSA-N 1 2 354.410 2.419 10 30 FEEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000246481314 549143060 /nfs/dbraw/zinc/14/30/60/549143060.db2.gz OSSGNDRJFJOBBL-CRAIPNDOSA-N 1 2 354.410 2.419 10 30 FEEELO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000247111250 549285129 /nfs/dbraw/zinc/28/51/29/549285129.db2.gz KRASMCRLQWBQAH-GDBMZVCRSA-N 1 2 374.510 2.477 10 30 FEEELO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000247111250 549285131 /nfs/dbraw/zinc/28/51/31/549285131.db2.gz KRASMCRLQWBQAH-GDBMZVCRSA-N 1 2 374.510 2.477 10 30 FEEELO C=CCN(CCOC)C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000250739904 549644529 /nfs/dbraw/zinc/64/45/29/549644529.db2.gz PSOFSQXHXAOKNA-HZPDHXFCSA-N 1 2 367.515 2.354 10 30 FEEELO C=CCN(CCOC)C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000250739904 549644533 /nfs/dbraw/zinc/64/45/33/549644533.db2.gz 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FEEELO N#Cc1ccc(NC(=O)C[N@@H+]2CCCN(c3cccnn3)CC2)cc1Cl ZINC000106071425 543189112 /nfs/dbraw/zinc/18/91/12/543189112.db2.gz LMTDCMKRRBRVFH-UHFFFAOYSA-N 1 2 370.844 2.152 10 30 FEEELO N#Cc1ccc(NC(=O)C[N@H+]2CCCN(c3cccnn3)CC2)cc1Cl ZINC000106071425 543189114 /nfs/dbraw/zinc/18/91/14/543189114.db2.gz LMTDCMKRRBRVFH-UHFFFAOYSA-N 1 2 370.844 2.152 10 30 FEEELO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN([C@H](C)c2nc(CC)no2)CC1 ZINC000106137805 543207342 /nfs/dbraw/zinc/20/73/42/543207342.db2.gz XQMCYYZBQLCTPD-CVEARBPZSA-N 1 2 363.506 2.124 10 30 FEEELO Cc1ccc([C@@H](CNC(=O)c2ccc(C#N)c(O)c2)[NH+]2CCOCC2)s1 ZINC000188612352 328098581 /nfs/dbraw/zinc/09/85/81/328098581.db2.gz QOQNVEBWGGHTMW-MRXNPFEDSA-N 1 2 371.462 2.437 10 30 FEEELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000189334486 328141467 /nfs/dbraw/zinc/14/14/67/328141467.db2.gz SQATVBSHLVXYAI-JKSUJKDBSA-N 1 2 355.398 2.040 10 30 FEEELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000189334486 328141469 /nfs/dbraw/zinc/14/14/69/328141469.db2.gz SQATVBSHLVXYAI-JKSUJKDBSA-N 1 2 355.398 2.040 10 30 FEEELO Cc1ncc(C[NH+]2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)s1 ZINC000170941768 327109078 /nfs/dbraw/zinc/10/90/78/327109078.db2.gz GJAQSCITTWJSKJ-UHFFFAOYSA-N 1 2 369.494 2.470 10 30 FEEELO Cc1nn(C)c(C)c1C[NH+]1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000156188692 545605616 /nfs/dbraw/zinc/60/56/16/545605616.db2.gz KPQGFTSEIMRISZ-UHFFFAOYSA-N 1 2 367.497 2.495 10 30 FEEELO C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000179637732 546989909 /nfs/dbraw/zinc/98/99/09/546989909.db2.gz LBQHQRXSEKNHKR-IBGZPJMESA-N 1 2 364.449 2.355 10 30 FEEELO C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000179637732 546989915 /nfs/dbraw/zinc/98/99/15/546989915.db2.gz LBQHQRXSEKNHKR-IBGZPJMESA-N 1 2 364.449 2.355 10 30 FEEELO COc1cc(C#N)ccc1S(=O)(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000185637192 548012046 /nfs/dbraw/zinc/01/20/46/548012046.db2.gz JWKQWYMJNNDETK-UHFFFAOYSA-N 1 2 374.466 2.171 10 30 FEEELO Cc1csc([C@@H]2C[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)CCO2)n1 ZINC000249802447 549630328 /nfs/dbraw/zinc/63/03/28/549630328.db2.gz AMOCRSLYWWKYQI-WBVHZDCISA-N 1 2 359.451 2.136 10 30 FEEELO Cc1csc([C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)CCO2)n1 ZINC000249802447 549630330 /nfs/dbraw/zinc/63/03/30/549630330.db2.gz AMOCRSLYWWKYQI-WBVHZDCISA-N 1 2 359.451 2.136 10 30 FEEELO CC(=O)N[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000076709621 542315469 /nfs/dbraw/zinc/31/54/69/542315469.db2.gz ZRNRELBVJZJYGX-SFHVURJKSA-N 1 2 356.470 2.151 10 30 FEEELO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC000076709621 542315474 /nfs/dbraw/zinc/31/54/74/542315474.db2.gz ZRNRELBVJZJYGX-SFHVURJKSA-N 1 2 356.470 2.151 10 30 FEEELO Cc1cc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c(C#N)c(C)[nH+]1 ZINC000092946506 542897897 /nfs/dbraw/zinc/89/78/97/542897897.db2.gz VXTHZLJOMRNFTM-UHFFFAOYSA-N 1 2 351.410 2.112 10 30 FEEELO CCc1noc([C@@H](C)N2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)n1 ZINC000135052121 544332684 /nfs/dbraw/zinc/33/26/84/544332684.db2.gz BGYPSVWUZQBBJU-CQSZACIVSA-N 1 2 355.442 2.391 10 30 FEEELO CCn1cc([C@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)CCO2)cn1 ZINC000190787609 328232469 /nfs/dbraw/zinc/23/24/69/328232469.db2.gz DVQKCBDUUXWUDC-OAHLLOKOSA-N 1 2 359.455 2.238 10 30 FEEELO CCn1cc([C@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)CCO2)cn1 ZINC000190787609 328232470 /nfs/dbraw/zinc/23/24/70/328232470.db2.gz DVQKCBDUUXWUDC-OAHLLOKOSA-N 1 2 359.455 2.238 10 30 FEEELO Cc1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c(C)n1-c1ccc(C#N)cc1 ZINC000170853793 546179269 /nfs/dbraw/zinc/17/92/69/546179269.db2.gz IBDNHIDEVINWES-SFHVURJKSA-N 1 2 352.438 2.026 10 30 FEEELO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c(C)n1-c1ccc(C#N)cc1 ZINC000170853793 546179274 /nfs/dbraw/zinc/17/92/74/546179274.db2.gz IBDNHIDEVINWES-SFHVURJKSA-N 1 2 352.438 2.026 10 30 FEEELO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000177051726 546533972 /nfs/dbraw/zinc/53/39/72/546533972.db2.gz QIPHEVMYNNIRMU-IBGZPJMESA-N 1 2 365.437 2.083 10 30 FEEELO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000177051726 546533978 /nfs/dbraw/zinc/53/39/78/546533978.db2.gz QIPHEVMYNNIRMU-IBGZPJMESA-N 1 2 365.437 2.083 10 30 FEEELO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000177057068 546534781 /nfs/dbraw/zinc/53/47/81/546534781.db2.gz KMSOLUAZIJZZED-MJGOQNOKSA-N 1 2 367.453 2.393 10 30 FEEELO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000177057068 546534785 /nfs/dbraw/zinc/53/47/85/546534785.db2.gz KMSOLUAZIJZZED-MJGOQNOKSA-N 1 2 367.453 2.393 10 30 FEEELO C=CC[NH+](CC=C)Cc1nc2ccccc2c(N2CCN(C(C)=O)CC2)n1 ZINC000299766598 553612262 /nfs/dbraw/zinc/61/22/62/553612262.db2.gz QWZJQNPDWNOAAL-UHFFFAOYSA-N 1 2 365.481 2.472 10 30 FEEELO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000247518541 672851510 /nfs/dbraw/zinc/85/15/10/672851510.db2.gz NDNGPYZYRYDMOM-KBXCAEBGSA-N 1 2 352.479 2.030 10 30 FEEELO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000247518541 672851514 /nfs/dbraw/zinc/85/15/14/672851514.db2.gz NDNGPYZYRYDMOM-KBXCAEBGSA-N 1 2 352.479 2.030 10 30 FEEELO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(Nc3cccnn3)CC2)c(C#N)c1C ZINC000106081034 543192164 /nfs/dbraw/zinc/19/21/64/543192164.db2.gz MFJLHCZSXTZBES-ZDUSSCGKSA-N 1 2 368.441 2.462 10 30 FEEELO CCOCCN1CC[N@H+](CCC(=O)Nc2sccc2C#N)C[C@H]1CC ZINC000106119500 543203482 /nfs/dbraw/zinc/20/34/82/543203482.db2.gz SJMCPWOMRSTMTH-MRXNPFEDSA-N 1 2 364.515 2.381 10 30 FEEELO CCOCCN1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@H]1CC ZINC000106119500 543203485 /nfs/dbraw/zinc/20/34/85/543203485.db2.gz SJMCPWOMRSTMTH-MRXNPFEDSA-N 1 2 364.515 2.381 10 30 FEEELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@H](O)COc1ccc(C#N)cc1)C2 ZINC000106371735 543226445 /nfs/dbraw/zinc/22/64/45/543226445.db2.gz PCZLPNFLWIXFON-INIZCTEOSA-N 1 2 354.454 2.213 10 30 FEEELO CC(C)c1nc2c(n1C)CC[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C2 ZINC000106371735 543226446 /nfs/dbraw/zinc/22/64/46/543226446.db2.gz PCZLPNFLWIXFON-INIZCTEOSA-N 1 2 354.454 2.213 10 30 FEEELO CC(C)c1nc2c(n1C)CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C2 ZINC000106371735 543226447 /nfs/dbraw/zinc/22/64/47/543226447.db2.gz PCZLPNFLWIXFON-INIZCTEOSA-N 1 2 354.454 2.213 10 30 FEEELO N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000122991515 543735846 /nfs/dbraw/zinc/73/58/46/543735846.db2.gz NBDREQPPKATWKY-LBPRGKRZSA-N 1 2 350.831 2.261 10 30 FEEELO C=CCOc1cc(OC)ccc1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000128393418 544049501 /nfs/dbraw/zinc/04/95/01/544049501.db2.gz VUVTYWVQCRUSGP-MAUKXSAKSA-N 1 2 360.454 2.053 10 30 FEEELO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000080300014 325127624 /nfs/dbraw/zinc/12/76/24/325127624.db2.gz NGOWWQPRBQITOF-UHFFFAOYSA-N 1 2 350.831 2.498 10 30 FEEELO CCOc1ccnc(N2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)n1 ZINC000120874395 326295172 /nfs/dbraw/zinc/29/51/72/326295172.db2.gz JSBABFZJPCNIHW-UHFFFAOYSA-N 1 2 353.426 2.078 10 30 FEEELO CCOc1cc(C)nc(N2CC[NH+](Cc3cc(C#N)ccc3OC)CC2)n1 ZINC000159958170 326948535 /nfs/dbraw/zinc/94/85/35/326948535.db2.gz OAXMKXSGQBPLRD-UHFFFAOYSA-N 1 2 367.453 2.386 10 30 FEEELO C[C@H]1C[N@@H+]([C@@H](CNC(=O)c2cc(C#N)cn2C)c2cccs2)CCO1 ZINC000176225541 546421499 /nfs/dbraw/zinc/42/14/99/546421499.db2.gz YPADEPFZDRUENF-BBRMVZONSA-N 1 2 358.467 2.150 10 30 FEEELO C[C@H]1C[N@H+]([C@@H](CNC(=O)c2cc(C#N)cn2C)c2cccs2)CCO1 ZINC000176225541 546421501 /nfs/dbraw/zinc/42/15/01/546421501.db2.gz YPADEPFZDRUENF-BBRMVZONSA-N 1 2 358.467 2.150 10 30 FEEELO C#Cc1cccc(NC(=O)C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1 ZINC000182803706 547554975 /nfs/dbraw/zinc/55/49/75/547554975.db2.gz PLMWTRHSUYDIOM-UHFFFAOYSA-N 1 2 350.422 2.048 10 30 FEEELO COc1ccc(F)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000302689803 553725690 /nfs/dbraw/zinc/72/56/90/553725690.db2.gz CCAUKURXHXZAQU-UHFFFAOYSA-N 1 2 371.372 2.331 10 30 FEEELO N#Cc1nc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000302698781 553726525 /nfs/dbraw/zinc/72/65/25/553726525.db2.gz FEEIKVUZGVWYGO-INIZCTEOSA-N 1 2 353.382 2.347 10 30 FEEELO Cc1oc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3cccnn3)CC2)c(C#N)c1C ZINC000106069735 543188258 /nfs/dbraw/zinc/18/82/58/543188258.db2.gz WMSRNKKNUZNMTP-CQSZACIVSA-N 1 2 368.441 2.097 10 30 FEEELO Cc1oc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3cccnn3)CC2)c(C#N)c1C ZINC000106069735 543188260 /nfs/dbraw/zinc/18/82/60/543188260.db2.gz WMSRNKKNUZNMTP-CQSZACIVSA-N 1 2 368.441 2.097 10 30 FEEELO C=C(C)CN(CC)C(=O)C[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000106145208 543208598 /nfs/dbraw/zinc/20/85/98/543208598.db2.gz BSJUBUGMRVSPPF-UHFFFAOYSA-N 1 2 361.534 2.180 10 30 FEEELO CCOc1ccnc(N2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)n1 ZINC000135052973 544332716 /nfs/dbraw/zinc/33/27/16/544332716.db2.gz WJEIYUWPQQLCJA-UHFFFAOYSA-N 1 2 353.426 2.078 10 30 FEEELO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000106084254 325577974 /nfs/dbraw/zinc/57/79/74/325577974.db2.gz CZJSLMYGMGDHKR-OAHLLOKOSA-N 1 2 364.453 2.276 10 30 FEEELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2c(F)cc(C#N)cc2F)nc[nH+]1 ZINC000121382735 326334461 /nfs/dbraw/zinc/33/44/61/326334461.db2.gz SNCSIBHTTOOOOZ-GFCCVEGCSA-N 1 2 372.379 2.067 10 30 FEEELO CNc1cc(N2CCC[C@@H]2CNC(=O)c2c(F)cc(C#N)cc2F)[nH+]cn1 ZINC000121382735 326334463 /nfs/dbraw/zinc/33/44/63/326334463.db2.gz SNCSIBHTTOOOOZ-GFCCVEGCSA-N 1 2 372.379 2.067 10 30 FEEELO C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173966479 327298575 /nfs/dbraw/zinc/29/85/75/327298575.db2.gz MZKFQXIVTABHFB-ZDUSSCGKSA-N 1 2 353.407 2.178 10 30 FEEELO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1nnc2n1CCCC2 ZINC000155899106 545582015 /nfs/dbraw/zinc/58/20/15/545582015.db2.gz LPQLMULVPRLEFR-PBHICJAKSA-N 1 2 364.453 2.332 10 30 FEEELO Cc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c(C)n1-c1ccc(C#N)cc1 ZINC000170853791 546179146 /nfs/dbraw/zinc/17/91/46/546179146.db2.gz IBDNHIDEVINWES-GOSISDBHSA-N 1 2 352.438 2.026 10 30 FEEELO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(C)n1-c1ccc(C#N)cc1 ZINC000170853791 546179149 /nfs/dbraw/zinc/17/91/49/546179149.db2.gz IBDNHIDEVINWES-GOSISDBHSA-N 1 2 352.438 2.026 10 30 FEEELO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173986194 546289224 /nfs/dbraw/zinc/28/92/24/546289224.db2.gz JJPWIAKBEXTIJM-MRXNPFEDSA-N 1 2 361.511 2.310 10 30 FEEELO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000173986194 546289228 /nfs/dbraw/zinc/28/92/28/546289228.db2.gz JJPWIAKBEXTIJM-MRXNPFEDSA-N 1 2 361.511 2.310 10 30 FEEELO C=CCSc1ccccc1NC(=O)CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173986194 546289231 /nfs/dbraw/zinc/28/92/31/546289231.db2.gz JJPWIAKBEXTIJM-MRXNPFEDSA-N 1 2 361.511 2.310 10 30 FEEELO CCn1cnnc1C1CC[NH+]([C@@H](C(=O)OC)c2cccc(C#N)c2)CC1 ZINC000177059634 546534688 /nfs/dbraw/zinc/53/46/88/546534688.db2.gz VBTVJENLUUENBT-QGZVFWFLSA-N 1 2 353.426 2.263 10 30 FEEELO Cc1sc(NC(=O)C[N@@H+]2CCCN(c3cccnn3)CC2)c(C#N)c1C ZINC000177125889 546549546 /nfs/dbraw/zinc/54/95/46/546549546.db2.gz MQLRJDZOUITIFR-UHFFFAOYSA-N 1 2 370.482 2.177 10 30 FEEELO Cc1sc(NC(=O)C[N@H+]2CCCN(c3cccnn3)CC2)c(C#N)c1C ZINC000177125889 546549549 /nfs/dbraw/zinc/54/95/49/546549549.db2.gz MQLRJDZOUITIFR-UHFFFAOYSA-N 1 2 370.482 2.177 10 30 FEEELO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000108359692 543287885 /nfs/dbraw/zinc/28/78/85/543287885.db2.gz KRASMCRLQWBQAH-ZBFHGGJFSA-N 1 2 374.510 2.477 10 30 FEEELO CC(=O)N[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2SC[C@H](C)C#N)C1 ZINC000108359692 543287886 /nfs/dbraw/zinc/28/78/86/543287886.db2.gz KRASMCRLQWBQAH-ZBFHGGJFSA-N 1 2 374.510 2.477 10 30 FEEELO CCc1nnc(NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)c(C#N)c1CC ZINC000125394998 543879070 /nfs/dbraw/zinc/87/90/70/543879070.db2.gz DFHBRSYRMLVJCW-CYBMUJFWSA-N 1 2 366.473 2.386 10 30 FEEELO CCc1nnc(NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)c(C#N)c1CC ZINC000125394998 543879074 /nfs/dbraw/zinc/87/90/74/543879074.db2.gz DFHBRSYRMLVJCW-CYBMUJFWSA-N 1 2 366.473 2.386 10 30 FEEELO C=CCOc1cc(OC)ccc1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000128392765 544049653 /nfs/dbraw/zinc/04/96/53/544049653.db2.gz VUVTYWVQCRUSGP-QAPCUYQASA-N 1 2 360.454 2.053 10 30 FEEELO FC(F)(F)Oc1ccc(C#CCN2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000153563410 544792064 /nfs/dbraw/zinc/79/20/64/544792064.db2.gz MBXPYJWHNGATSS-MRXNPFEDSA-N 1 2 354.372 2.343 10 30 FEEELO CCc1noc([C@H](C)N2CC[NH+](Cc3ccc(OC)c(C#N)c3)CC2)n1 ZINC000135052143 326635494 /nfs/dbraw/zinc/63/54/94/326635494.db2.gz BGYPSVWUZQBBJU-AWEZNQCLSA-N 1 2 355.442 2.391 10 30 FEEELO S=C(NCC[NH+]1CCOCC1)N/N=C/c1cccc(Cl)c1Cl ZINC000020786258 526383949 /nfs/dbraw/zinc/38/39/49/526383949.db2.gz YTJYHTFTSFNNHJ-VCHYOVAHSA-N 1 2 361.298 2.124 10 30 FEEELO COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000157992016 545809072 /nfs/dbraw/zinc/80/90/72/545809072.db2.gz JIEWIPIJJIVCNY-SFHVURJKSA-N 1 2 370.453 2.160 10 30 FEEELO COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000157992016 545809075 /nfs/dbraw/zinc/80/90/75/545809075.db2.gz JIEWIPIJJIVCNY-SFHVURJKSA-N 1 2 370.453 2.160 10 30 FEEELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccc(F)cc2C#N)nc[nH+]1 ZINC000177900649 546705951 /nfs/dbraw/zinc/70/59/51/546705951.db2.gz YLLKGATUOLHAKK-AWEZNQCLSA-N 1 2 369.404 2.320 10 30 FEEELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2ccc(F)cc2C#N)[nH+]cn1 ZINC000177900649 546705954 /nfs/dbraw/zinc/70/59/54/546705954.db2.gz YLLKGATUOLHAKK-AWEZNQCLSA-N 1 2 369.404 2.320 10 30 FEEELO Cc1noc(CNC(=O)N2CCC[C@H](Nc3ccc(N(C)C)[nH+]c3)CC2)n1 ZINC000328648064 553801701 /nfs/dbraw/zinc/80/17/01/553801701.db2.gz UJERUWZAUXXJQN-AWEZNQCLSA-N 1 2 373.461 2.220 10 30 FEEELO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000328656702 210124270 /nfs/dbraw/zinc/12/42/70/210124270.db2.gz ZPADXYIDYURBTR-HNNXBMFYSA-N 1 2 367.409 2.049 10 30 FEEELO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000328656702 210124274 /nfs/dbraw/zinc/12/42/74/210124274.db2.gz ZPADXYIDYURBTR-HNNXBMFYSA-N 1 2 367.409 2.049 10 30 FEEELO N#Cc1cccc(C[NH+]2CCN(C[C@@H](O)COc3ccccc3)CC2)c1 ZINC000106205119 543218641 /nfs/dbraw/zinc/21/86/41/543218641.db2.gz LOWLUAFDJOCKCV-HXUWFJFHSA-N 1 2 351.450 2.116 10 30 FEEELO C#CCOc1ccc(C(=O)N2CC[NH+](Cc3c(C)nn(C)c3C)CC2)cc1 ZINC000121006007 543687820 /nfs/dbraw/zinc/68/78/20/543687820.db2.gz FMTKNNWDDABKDU-UHFFFAOYSA-N 1 2 366.465 2.007 10 30 FEEELO CNc1cc(N2CCC[C@@H]2CNC(=O)/C=C/c2ccccc2C#N)nc[nH+]1 ZINC000173420762 327255133 /nfs/dbraw/zinc/25/51/33/327255133.db2.gz GHUSNEKYPOPIDF-KBOKABMXSA-N 1 2 362.437 2.188 10 30 FEEELO CNc1cc(N2CCC[C@@H]2CNC(=O)/C=C/c2ccccc2C#N)[nH+]cn1 ZINC000173420762 327255134 /nfs/dbraw/zinc/25/51/34/327255134.db2.gz GHUSNEKYPOPIDF-KBOKABMXSA-N 1 2 362.437 2.188 10 30 FEEELO Cc1nnc([C@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)[nH]1 ZINC000173672360 327275389 /nfs/dbraw/zinc/27/53/89/327275389.db2.gz QYYUHZHQBYQQHI-OAHLLOKOSA-N 1 2 374.832 2.040 10 30 FEEELO Cc1nnc([C@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)[nH]1 ZINC000173672360 327275391 /nfs/dbraw/zinc/27/53/91/327275391.db2.gz QYYUHZHQBYQQHI-OAHLLOKOSA-N 1 2 374.832 2.040 10 30 FEEELO Cc1cccc(NC(=O)C(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)c1C#N ZINC000182795198 547552734 /nfs/dbraw/zinc/55/27/34/547552734.db2.gz GYPIVVKTPODRSU-UHFFFAOYSA-N 1 2 365.437 2.247 10 30 FEEELO C[C@@H]1C[N@@H+]([C@H](CNC(=O)c2cc(C#N)cn2C)c2cccs2)CCO1 ZINC000246616829 549175155 /nfs/dbraw/zinc/17/51/55/549175155.db2.gz YPADEPFZDRUENF-CZUORRHYSA-N 1 2 358.467 2.150 10 30 FEEELO C[C@@H]1C[N@H+]([C@H](CNC(=O)c2cc(C#N)cn2C)c2cccs2)CCO1 ZINC000246616829 549175157 /nfs/dbraw/zinc/17/51/57/549175157.db2.gz YPADEPFZDRUENF-CZUORRHYSA-N 1 2 358.467 2.150 10 30 FEEELO CC(=O)N[C@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000077169891 542350738 /nfs/dbraw/zinc/35/07/38/542350738.db2.gz TVUUFDYVHHZSFN-INIZCTEOSA-N 1 2 352.438 2.338 10 30 FEEELO CC(=O)N[C@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000077169891 542350741 /nfs/dbraw/zinc/35/07/41/542350741.db2.gz TVUUFDYVHHZSFN-INIZCTEOSA-N 1 2 352.438 2.338 10 30 FEEELO N#Cc1cnc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c(Cl)c1 ZINC000114709716 543530853 /nfs/dbraw/zinc/53/08/53/543530853.db2.gz RWAKGHSVRATWCW-MRXNPFEDSA-N 1 2 372.856 2.169 10 30 FEEELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)Nc1ccc(F)c(C#N)c1)C2 ZINC000182803121 327789410 /nfs/dbraw/zinc/78/94/10/327789410.db2.gz LVXCSOKGBUYXAM-UHFFFAOYSA-N 1 2 369.400 2.078 10 30 FEEELO C[C@@H]1C[N@@H+]([C@@H](CNC(=O)N2CCC(C#N)CC2)c2cccs2)CCO1 ZINC000175067768 546306421 /nfs/dbraw/zinc/30/64/21/546306421.db2.gz ZEPKHJSQRMSNSG-ZBFHGGJFSA-N 1 2 362.499 2.455 10 30 FEEELO C[C@@H]1C[N@H+]([C@@H](CNC(=O)N2CCC(C#N)CC2)c2cccs2)CCO1 ZINC000175067768 546306427 /nfs/dbraw/zinc/30/64/27/546306427.db2.gz ZEPKHJSQRMSNSG-ZBFHGGJFSA-N 1 2 362.499 2.455 10 30 FEEELO CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)c1cc(C#N)cn1C ZINC000176225021 546421132 /nfs/dbraw/zinc/42/11/32/546421132.db2.gz GNSPUTHZCGUEER-MRXNPFEDSA-N 1 2 358.467 2.104 10 30 FEEELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2cccc(C#N)c2C)nc[nH+]1 ZINC000178574633 546814323 /nfs/dbraw/zinc/81/43/23/546814323.db2.gz OQXHLVUYQLSBQM-HNNXBMFYSA-N 1 2 365.441 2.489 10 30 FEEELO CNc1cc(N2CCC[C@H]2CNC(=O)Nc2cccc(C#N)c2C)[nH+]cn1 ZINC000178574633 546814330 /nfs/dbraw/zinc/81/43/30/546814330.db2.gz OQXHLVUYQLSBQM-HNNXBMFYSA-N 1 2 365.441 2.489 10 30 FEEELO C=CCN(CCOC)C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000189444674 548303494 /nfs/dbraw/zinc/30/34/94/548303494.db2.gz PSOFSQXHXAOKNA-CVEARBPZSA-N 1 2 367.515 2.354 10 30 FEEELO C=CCN(CCOC)C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000189444674 548303497 /nfs/dbraw/zinc/30/34/97/548303497.db2.gz PSOFSQXHXAOKNA-CVEARBPZSA-N 1 2 367.515 2.354 10 30 FEEELO CCOC(=O)c1ccc(N2CCN(c3cc(C)[nH+]c(C)c3C#N)CC2)nc1 ZINC000301779169 553678425 /nfs/dbraw/zinc/67/84/25/553678425.db2.gz MLZLOILLNXRGDA-UHFFFAOYSA-N 1 2 365.437 2.468 10 30 FEEELO Cc1nc(CNC(=O)N2CCC[C@H](Nc3ccc(N(C)C)[nH+]c3)CC2)no1 ZINC000328647266 553801647 /nfs/dbraw/zinc/80/16/47/553801647.db2.gz TWLFIGBYONEEQB-AWEZNQCLSA-N 1 2 373.461 2.220 10 30 FEEELO CC(=O)N[C@@H]1CCC[N@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000077169890 542349608 /nfs/dbraw/zinc/34/96/08/542349608.db2.gz TVUUFDYVHHZSFN-MRXNPFEDSA-N 1 2 352.438 2.338 10 30 FEEELO CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000077169890 542349612 /nfs/dbraw/zinc/34/96/12/542349612.db2.gz TVUUFDYVHHZSFN-MRXNPFEDSA-N 1 2 352.438 2.338 10 30 FEEELO O=C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000054236901 221051424 /nfs/dbraw/zinc/05/14/24/221051424.db2.gz MNGYTYZTMMGAPM-LLVKDONJSA-N 1 2 372.206 2.141 10 30 FEEELO O=C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(I)c2)C1 ZINC000054236901 221051427 /nfs/dbraw/zinc/05/14/27/221051427.db2.gz MNGYTYZTMMGAPM-LLVKDONJSA-N 1 2 372.206 2.141 10 30 FEEELO N#Cc1csc(CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c1 ZINC000122714084 543719684 /nfs/dbraw/zinc/71/96/84/543719684.db2.gz UJZVUSMVSQLREH-QGZVFWFLSA-N 1 2 357.479 2.177 10 30 FEEELO N#Cc1csc(C[NH+]2CCN(C[C@@H](O)COc3ccccc3)CC2)c1 ZINC000122714084 543719685 /nfs/dbraw/zinc/71/96/85/543719685.db2.gz UJZVUSMVSQLREH-QGZVFWFLSA-N 1 2 357.479 2.177 10 30 FEEELO Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(Nc3cccnn3)CC2)c(C#N)c1C ZINC000106081031 325577637 /nfs/dbraw/zinc/57/76/37/325577637.db2.gz MFJLHCZSXTZBES-CYBMUJFWSA-N 1 2 368.441 2.462 10 30 FEEELO C#Cc1cccc(NC(=O)NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)c1 ZINC000174786078 546303647 /nfs/dbraw/zinc/30/36/47/546303647.db2.gz YEHDKKFEWMJJKE-MRXNPFEDSA-N 1 2 350.426 2.290 10 30 FEEELO C#Cc1cccc(NC(=O)NC[C@H]2CCCN2c2cc(NC)nc[nH+]2)c1 ZINC000174786078 546303650 /nfs/dbraw/zinc/30/36/50/546303650.db2.gz YEHDKKFEWMJJKE-MRXNPFEDSA-N 1 2 350.426 2.290 10 30 FEEELO N#Cc1cc(F)c(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)c(F)c1 ZINC000176293715 546428380 /nfs/dbraw/zinc/42/83/80/546428380.db2.gz NMKRABWHZXCWTB-SFHVURJKSA-N 1 2 371.387 2.328 10 30 FEEELO COC(=O)[C@@H]1Cc2[nH+]cn(C(C)C)c2CN1C(=O)c1ccc(C#N)cc1 ZINC000015676520 220160148 /nfs/dbraw/zinc/16/01/48/220160148.db2.gz LBCGPMVRYSYFNH-INIZCTEOSA-N 1 2 352.394 2.076 10 30 FEEELO CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000106094959 543194766 /nfs/dbraw/zinc/19/47/66/543194766.db2.gz DSAPYCOSMPVFOO-MRXNPFEDSA-N 1 2 369.469 2.266 10 30 FEEELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000115351364 543561366 /nfs/dbraw/zinc/56/13/66/543561366.db2.gz UBMHUXMJOAOWDO-FQEVSTJZSA-N 1 2 365.433 2.198 10 30 FEEELO C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000115351364 543561370 /nfs/dbraw/zinc/56/13/70/543561370.db2.gz UBMHUXMJOAOWDO-FQEVSTJZSA-N 1 2 365.433 2.198 10 30 FEEELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000189326332 328141211 /nfs/dbraw/zinc/14/12/11/328141211.db2.gz HIKCSFKOVZBFEQ-QWHCGFSZSA-N 1 2 361.427 2.102 10 30 FEEELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000189326332 328141212 /nfs/dbraw/zinc/14/12/12/328141212.db2.gz HIKCSFKOVZBFEQ-QWHCGFSZSA-N 1 2 361.427 2.102 10 30 FEEELO Cc1ncc(C[NH+]2CCN([C@H](C)C(=O)Nc3ccccc3C#N)CC2)s1 ZINC000106090576 325578970 /nfs/dbraw/zinc/57/89/70/325578970.db2.gz WVSHFMGHXJCTHR-CQSZACIVSA-N 1 2 369.494 2.468 10 30 FEEELO CCn1cc(CN2CCC[N@H+](Cc3cnc4ccc(C#N)cn34)CC2)cn1 ZINC000121621179 326352646 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N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(Nc3cccnn3)CC2)C1=O ZINC000177052227 546534082 /nfs/dbraw/zinc/53/40/82/546534082.db2.gz HYYIUJGJPFHUBA-HNNXBMFYSA-N 1 2 368.466 2.092 10 30 FEEELO C[C@@H]1CN(Cc2cc(C#N)ccc2Br)C[C@H]1[NH+]1CCOCC1 ZINC000249123135 549555781 /nfs/dbraw/zinc/55/57/81/549555781.db2.gz XCQGCYFIFDIORX-CXAGYDPISA-N 1 2 364.287 2.473 10 30 FEEELO Cc1ccc(S(=O)(=O)NC2=NCC(=CC[NH+]3CCCC3)S2)cc1 ZINC000033957159 539976056 /nfs/dbraw/zinc/97/60/56/539976056.db2.gz YJGYKHCWJQLHDG-RIYZIHGNSA-N 1 2 351.497 2.356 10 30 FEEELO CCOCCN1CC[N@H+](CCC(=O)Nc2sccc2C#N)C[C@@H]1CC ZINC000106119504 543203442 /nfs/dbraw/zinc/20/34/42/543203442.db2.gz SJMCPWOMRSTMTH-INIZCTEOSA-N 1 2 364.515 2.381 10 30 FEEELO CCOCCN1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@@H]1CC ZINC000106119504 543203443 /nfs/dbraw/zinc/20/34/43/543203443.db2.gz SJMCPWOMRSTMTH-INIZCTEOSA-N 1 2 364.515 2.381 10 30 FEEELO CC(C)c1[nH+]c2c(n1C)CCN(C[C@@H](O)COc1ccc(C#N)cc1)C2 ZINC000106371737 543226128 /nfs/dbraw/zinc/22/61/28/543226128.db2.gz 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Cc1cnn([C@H]2CCC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)c1 ZINC000176234623 546422486 /nfs/dbraw/zinc/42/24/86/546422486.db2.gz KCDSWXYEZDHVJA-KRWDZBQOSA-N 1 2 358.467 2.174 10 30 FEEELO C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000181547189 547332675 /nfs/dbraw/zinc/33/26/75/547332675.db2.gz VEUWSTNZLQKEJV-INIZCTEOSA-N 1 2 351.406 2.411 10 30 FEEELO C[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)C1 ZINC000181547189 547332678 /nfs/dbraw/zinc/33/26/78/547332678.db2.gz VEUWSTNZLQKEJV-INIZCTEOSA-N 1 2 351.406 2.411 10 30 FEEELO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000191424758 548345096 /nfs/dbraw/zinc/34/50/96/548345096.db2.gz GVVKYGZZYSWTLW-KRWDZBQOSA-N 1 2 361.486 2.353 10 30 FEEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000246481319 549142830 /nfs/dbraw/zinc/14/28/30/549142830.db2.gz OSSGNDRJFJOBBL-MAUKXSAKSA-N 1 2 354.410 2.419 10 30 FEEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000246481319 549142835 /nfs/dbraw/zinc/14/28/35/549142835.db2.gz OSSGNDRJFJOBBL-MAUKXSAKSA-N 1 2 354.410 2.419 10 30 FEEELO CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000077170027 542350318 /nfs/dbraw/zinc/35/03/18/542350318.db2.gz AYZWVYKTKABXLK-YOEHRIQHSA-N 1 2 360.433 2.061 10 30 FEEELO CC(=O)N[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000077170027 542350323 /nfs/dbraw/zinc/35/03/23/542350323.db2.gz AYZWVYKTKABXLK-YOEHRIQHSA-N 1 2 360.433 2.061 10 30 FEEELO CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2nc3cc(C)ccc3o2)CC1 ZINC000106094957 543194620 /nfs/dbraw/zinc/19/46/20/543194620.db2.gz DSAPYCOSMPVFOO-INIZCTEOSA-N 1 2 369.469 2.266 10 30 FEEELO Cc1nn(C)c(C)c1C[NH+]1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000106144019 543207564 /nfs/dbraw/zinc/20/75/64/543207564.db2.gz ZEXJECNJNSMWHB-UHFFFAOYSA-N 1 2 353.470 2.105 10 30 FEEELO CCn1cc([C@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CCO2)cn1 ZINC000190794098 328232921 /nfs/dbraw/zinc/23/29/21/328232921.db2.gz ZOMUKMPOJCCXAZ-GOSISDBHSA-N 1 2 353.426 2.177 10 30 FEEELO CCn1cc([C@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CCO2)cn1 ZINC000190794098 328232922 /nfs/dbraw/zinc/23/29/22/328232922.db2.gz ZOMUKMPOJCCXAZ-GOSISDBHSA-N 1 2 353.426 2.177 10 30 FEEELO CCc1nc(C2([NH2+]C[C@@H](O)COc3ccc(C#N)cc3)CCCC2)no1 ZINC000173692693 327277291 /nfs/dbraw/zinc/27/72/91/327277291.db2.gz APWISLODOBSYII-OAHLLOKOSA-N 1 2 356.426 2.302 10 30 FEEELO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@@H](N3CCOCC3)C2)c2ccccc21 ZINC000173988837 546289107 /nfs/dbraw/zinc/28/91/07/546289107.db2.gz WLPGPIBWYIAFCC-QGZVFWFLSA-N 1 2 366.465 2.144 10 30 FEEELO N#CCCn1cc(C(=O)C[N@H+]2CC[C@@H](N3CCOCC3)C2)c2ccccc21 ZINC000173988837 546289110 /nfs/dbraw/zinc/28/91/10/546289110.db2.gz WLPGPIBWYIAFCC-QGZVFWFLSA-N 1 2 366.465 2.144 10 30 FEEELO Cn1cc(C#N)cc1C(=O)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000176086171 546404894 /nfs/dbraw/zinc/40/48/94/546404894.db2.gz HLDOSZBEAQWLTR-UHFFFAOYSA-N 1 2 374.448 2.040 10 30 FEEELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C(=O)Nc1ccc(F)cc1C#N)C2 ZINC000182799339 547553925 /nfs/dbraw/zinc/55/39/25/547553925.db2.gz BCLCRMYDSCOQSM-UHFFFAOYSA-N 1 2 369.400 2.078 10 30 FEEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000246506851 549148425 /nfs/dbraw/zinc/14/84/25/549148425.db2.gz QIPHEVMYNNIRMU-LJQANCHMSA-N 1 2 365.437 2.083 10 30 FEEELO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000246506851 549148428 /nfs/dbraw/zinc/14/84/28/549148428.db2.gz QIPHEVMYNNIRMU-LJQANCHMSA-N 1 2 365.437 2.083 10 30 FEEELO