smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc([C@H](CNC(C)=[NH2+])[NH+]2CCCCC2)cc1 ZINC000069950930 346903897 /nfs/dbraw/zinc/90/38/97/346903897.db2.gz TZHIGKWIXVOMHP-INIZCTEOSA-N 2 1 275.396 2.599 50 30 CFEAMP CN1c2ccccc2C(C)(C)/C1=C/C=[NH+]N1CC[NH+](C)CC1 ZINC000606442725 351270474 /nfs/dbraw/zinc/27/04/74/351270474.db2.gz CRUVMGRDPLBMNJ-BDBPMHAPSA-N 2 1 298.434 2.531 50 30 CFEAMP CC[C@]1(C)C[C@@]2(CCC[N@@H+](CC#CC[NH+](C)C)C2)CCO1 ZINC000001794661 371706877 /nfs/dbraw/zinc/70/68/77/371706877.db2.gz YSTCJAQWGIWABF-QZTJIDSGSA-N 2 1 292.467 2.613 50 30 CFEAMP C#C[C@H](CCC)[NH2+][C@@]1(C[NH3+])CCCC[C@@H]1C(C)C ZINC000229939267 778266930 /nfs/dbraw/zinc/26/69/30/778266930.db2.gz ZDUVFYAGRIGRBA-BZUAXINKSA-N 2 1 250.430 2.922 50 30 CFEAMP C=C(C)C[NH+]1CCC([NH2+]C2Cc3ccccc3C2)CC1 ZINC000095422055 375440563 /nfs/dbraw/zinc/44/05/63/375440563.db2.gz RSVQDOGKGPJGLV-UHFFFAOYSA-N 2 1 270.420 2.784 50 30 CFEAMP C=C(C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000130839745 377619685 /nfs/dbraw/zinc/61/96/85/377619685.db2.gz GCKQCKKEFDKVQA-UHFFFAOYSA-N 2 1 276.399 2.998 50 30 CFEAMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCC#N)C1 ZINC000247115535 383145454 /nfs/dbraw/zinc/14/54/54/383145454.db2.gz YLWDVPGPBVQFKC-CVEARBPZSA-N 2 1 263.429 2.877 50 30 CFEAMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCC#N)C1 ZINC000247115535 383145456 /nfs/dbraw/zinc/14/54/56/383145456.db2.gz YLWDVPGPBVQFKC-CVEARBPZSA-N 2 1 263.429 2.877 50 30 CFEAMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCC#N)C1 ZINC000247115535 383145459 /nfs/dbraw/zinc/14/54/59/383145459.db2.gz YLWDVPGPBVQFKC-CVEARBPZSA-N 2 1 263.429 2.877 50 30 CFEAMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCC#N)C1 ZINC000247115535 383145461 /nfs/dbraw/zinc/14/54/61/383145461.db2.gz YLWDVPGPBVQFKC-CVEARBPZSA-N 2 1 263.429 2.877 50 30 CFEAMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCC#N)C1 ZINC000247115535 383145465 /nfs/dbraw/zinc/14/54/65/383145465.db2.gz YLWDVPGPBVQFKC-CVEARBPZSA-N 2 1 263.429 2.877 50 30 CFEAMP COc1ccc([C@@H](CNC(C)=[NH2+])[NH+]2CCCCC2)cc1 ZINC000069950931 346903415 /nfs/dbraw/zinc/90/34/15/346903415.db2.gz TZHIGKWIXVOMHP-MRXNPFEDSA-N 2 1 275.396 2.599 50 30 CFEAMP N#Cc1ccc(OCC[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000080958915 374676401 /nfs/dbraw/zinc/67/64/01/374676401.db2.gz KQUOUOOEDKCRLS-OAHLLOKOSA-N 2 1 296.374 2.540 50 30 CFEAMP N#Cc1ccc(OCC[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000080958914 374677328 /nfs/dbraw/zinc/67/73/28/374677328.db2.gz KQUOUOOEDKCRLS-HNNXBMFYSA-N 2 1 296.374 2.540 50 30 CFEAMP C#C[C@H](CCC)[NH2+][C@]1(C[NH3+])CCCC[C@@H]1C(C)C ZINC000229939276 778267003 /nfs/dbraw/zinc/26/70/03/778267003.db2.gz ZDUVFYAGRIGRBA-OAGGEKHMSA-N 2 1 250.430 2.922 50 30 CFEAMP C[N@H+](CCCC#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000078947958 393713943 /nfs/dbraw/zinc/71/39/43/393713943.db2.gz ZQAJPAGZFGCPBC-KRWDZBQOSA-N 2 1 271.408 2.744 50 30 CFEAMP C[N@@H+](CCCC#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000078947958 393713949 /nfs/dbraw/zinc/71/39/49/393713949.db2.gz ZQAJPAGZFGCPBC-KRWDZBQOSA-N 2 1 271.408 2.744 50 30 CFEAMP C[NH+](CCCC#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000078947958 393713950 /nfs/dbraw/zinc/71/39/50/393713950.db2.gz ZQAJPAGZFGCPBC-KRWDZBQOSA-N 2 1 271.408 2.744 50 30 CFEAMP C[NH+](CCCC#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000078947958 393713956 /nfs/dbraw/zinc/71/39/56/393713956.db2.gz ZQAJPAGZFGCPBC-KRWDZBQOSA-N 2 1 271.408 2.744 50 30 CFEAMP Cc1[nH+]ccn1CC[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000670459158 541002572 /nfs/dbraw/zinc/00/25/72/541002572.db2.gz SGJFNBBVMZILEI-ZDUSSCGKSA-N 2 1 260.385 2.596 50 30 CFEAMP C=CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000130735730 377603699 /nfs/dbraw/zinc/60/36/99/377603699.db2.gz ZLRKXGSMHPOWKS-UHFFFAOYSA-N 2 1 262.372 2.608 50 30 CFEAMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCC#N)C1 ZINC000071905290 393641233 /nfs/dbraw/zinc/64/12/33/393641233.db2.gz YLWDVPGPBVQFKC-JKSUJKDBSA-N 2 1 263.429 2.877 50 30 CFEAMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCC#N)C1 ZINC000071905290 393641238 /nfs/dbraw/zinc/64/12/38/393641238.db2.gz YLWDVPGPBVQFKC-JKSUJKDBSA-N 2 1 263.429 2.877 50 30 CFEAMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCC#N)C1 ZINC000071905290 393641243 /nfs/dbraw/zinc/64/12/43/393641243.db2.gz YLWDVPGPBVQFKC-JKSUJKDBSA-N 2 1 263.429 2.877 50 30 CFEAMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCC#N)C1 ZINC000071905290 393641248 /nfs/dbraw/zinc/64/12/48/393641248.db2.gz YLWDVPGPBVQFKC-JKSUJKDBSA-N 2 1 263.429 2.877 50 30 CFEAMP CC[C@]1(C)C[C@]2(CCC[N@@H+](CC#CC[NH+](C)C)C2)CCO1 ZINC000004023337 371829553 /nfs/dbraw/zinc/82/95/53/371829553.db2.gz YSTCJAQWGIWABF-MSOLQXFVSA-N 2 1 292.467 2.613 50 30 CFEAMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000095422061 275738684 /nfs/dbraw/zinc/73/86/84/275738684.db2.gz CVRUSGOQVKGAGJ-HNNXBMFYSA-N 2 1 280.456 2.963 50 30 CFEAMP C[N@H+](CCCC#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000078947961 393714012 /nfs/dbraw/zinc/71/40/12/393714012.db2.gz ZQAJPAGZFGCPBC-QGZVFWFLSA-N 2 1 271.408 2.744 50 30 CFEAMP C[N@@H+](CCCC#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000078947961 393714021 /nfs/dbraw/zinc/71/40/21/393714021.db2.gz ZQAJPAGZFGCPBC-QGZVFWFLSA-N 2 1 271.408 2.744 50 30 CFEAMP C[NH+](CCCC#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000078947961 393714022 /nfs/dbraw/zinc/71/40/22/393714022.db2.gz ZQAJPAGZFGCPBC-QGZVFWFLSA-N 2 1 271.408 2.744 50 30 CFEAMP C[NH+](CCCC#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000078947961 393714027 /nfs/dbraw/zinc/71/40/27/393714027.db2.gz ZQAJPAGZFGCPBC-QGZVFWFLSA-N 2 1 271.408 2.744 50 30 CFEAMP C[N@H+]1CCC[C@H](CN2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000299789811 328298504 /nfs/dbraw/zinc/29/85/04/328298504.db2.gz ALEJEIQIOZAHFW-KRWDZBQOSA-N 2 1 297.446 2.886 50 30 CFEAMP C[N@@H+]1CCC[C@H](C[NH+]2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000299789811 328298507 /nfs/dbraw/zinc/29/85/07/328298507.db2.gz ALEJEIQIOZAHFW-KRWDZBQOSA-N 2 1 297.446 2.886 50 30 CFEAMP C[N@H+]1CCC[C@@H](CN2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000299789829 328298592 /nfs/dbraw/zinc/29/85/92/328298592.db2.gz ALEJEIQIOZAHFW-QGZVFWFLSA-N 2 1 297.446 2.886 50 30 CFEAMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C#N)(c3ccccc3)CC2)C1 ZINC000299789829 328298593 /nfs/dbraw/zinc/29/85/93/328298593.db2.gz ALEJEIQIOZAHFW-QGZVFWFLSA-N 2 1 297.446 2.886 50 30 CFEAMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000241775893 382984641 /nfs/dbraw/zinc/98/46/41/382984641.db2.gz RPZVBZLMFRSCEY-KRWDZBQOSA-N 2 1 292.467 2.966 50 30 CFEAMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc3c[nH]nc3c2)CC1 ZINC000106244878 526604539 /nfs/dbraw/zinc/60/45/39/526604539.db2.gz OCTNWRMBWXFSIK-UHFFFAOYSA-N 2 1 284.407 2.693 50 30 CFEAMP C=CCOc1c(Cl)cc(C[NH2+]CCC[NH2+]C)cc1OC ZINC000007525140 170288764 /nfs/dbraw/zinc/28/87/64/170288764.db2.gz QRNJWNTVQKBGSV-UHFFFAOYSA-N 2 1 298.814 2.613 50 30 CFEAMP N#Cc1ccccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047969308 373135022 /nfs/dbraw/zinc/13/50/22/373135022.db2.gz YZCWWLDQVMHAFI-UHFFFAOYSA-N 2 1 283.419 2.866 50 30 CFEAMP C=C(Cl)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000069535835 518649703 /nfs/dbraw/zinc/64/97/03/518649703.db2.gz SSVOEKZMTYMALR-ZIAGYGMSSA-N 2 1 286.847 2.560 50 30 CFEAMP C=CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193329516 526664255 /nfs/dbraw/zinc/66/42/55/526664255.db2.gz GNRGSHHPSHTUCV-ALOPSCKCSA-N 2 1 256.393 2.958 50 30 CFEAMP C=C[C@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000820443835 781869290 /nfs/dbraw/zinc/86/92/90/781869290.db2.gz NMWYQAXRPDMQKI-HNNXBMFYSA-N 2 1 274.408 2.635 50 30 CFEAMP C=C[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000820443836 781868422 /nfs/dbraw/zinc/86/84/22/781868422.db2.gz NMWYQAXRPDMQKI-OAHLLOKOSA-N 2 1 274.408 2.635 50 30 CFEAMP CC[C@@]1(C)C[C@]2(CCC[N@@H+](CC#CC[NH+](C)C)C2)CCO1 ZINC000004023338 371829407 /nfs/dbraw/zinc/82/94/07/371829407.db2.gz YSTCJAQWGIWABF-ROUUACIJSA-N 2 1 292.467 2.613 50 30 CFEAMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(C#N)c1 ZINC000032928728 372477836 /nfs/dbraw/zinc/47/78/36/372477836.db2.gz OWLFLFCXFHGILN-QGZVFWFLSA-N 2 1 271.408 2.864 50 30 CFEAMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(C#N)c1 ZINC000032928728 372477841 /nfs/dbraw/zinc/47/78/41/372477841.db2.gz OWLFLFCXFHGILN-QGZVFWFLSA-N 2 1 271.408 2.864 50 30 CFEAMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC000032928728 372477845 /nfs/dbraw/zinc/47/78/45/372477845.db2.gz OWLFLFCXFHGILN-QGZVFWFLSA-N 2 1 271.408 2.864 50 30 CFEAMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC000032928728 372477850 /nfs/dbraw/zinc/47/78/50/372477850.db2.gz OWLFLFCXFHGILN-QGZVFWFLSA-N 2 1 271.408 2.864 50 30 CFEAMP C=CCC(O)(CC=C)C[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000063855510 393629885 /nfs/dbraw/zinc/62/98/85/393629885.db2.gz CFPCVYYMBQNEIU-DLBZAZTESA-N 2 1 292.467 2.724 50 30 CFEAMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000241775894 277775993 /nfs/dbraw/zinc/77/59/93/277775993.db2.gz RPZVBZLMFRSCEY-QGZVFWFLSA-N 2 1 292.467 2.966 50 30 CFEAMP C=CCn1c2ccccc2n(CC[NH+]2CCCCC2)c1=[NH2+] ZINC000004550115 371864405 /nfs/dbraw/zinc/86/44/05/371864405.db2.gz KXKUGMWFOBXNDV-UHFFFAOYSA-N 2 1 284.407 2.594 50 30 CFEAMP C=CCc1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)ccc1OC ZINC000426535043 383403864 /nfs/dbraw/zinc/40/38/64/383403864.db2.gz CZPJLOJDTAQGON-USTZCAOPSA-N 2 1 298.430 2.606 50 30 CFEAMP C=CCc1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)ccc1OC ZINC000426535043 383403871 /nfs/dbraw/zinc/40/38/71/383403871.db2.gz CZPJLOJDTAQGON-USTZCAOPSA-N 2 1 298.430 2.606 50 30 CFEAMP N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)o1 ZINC000071681960 176245308 /nfs/dbraw/zinc/24/53/08/176245308.db2.gz XQSNDDYQDSNISK-CYBMUJFWSA-N 2 1 281.359 2.599 50 30 CFEAMP C=CCc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])ccc1OC ZINC000426677432 383408828 /nfs/dbraw/zinc/40/88/28/383408828.db2.gz IJPNNIUNHIAZHA-VQFNDLOPSA-N 2 1 286.419 2.593 50 30 CFEAMP C#C[C@H](CCC)[NH2+][C@]1(C[NH3+])CCC(C)(C)C[C@@H]1C ZINC000229949517 778288261 /nfs/dbraw/zinc/28/82/61/778288261.db2.gz LOVXNJUPYZEMJB-LZWOXQAQSA-N 2 1 250.430 2.922 50 30 CFEAMP CC(C)(C[NH+]1CCCC1)C[NH+]1CCC(C)(C#N)CC1 ZINC000670454127 541000389 /nfs/dbraw/zinc/00/03/89/541000389.db2.gz PQCRBFJKMQIAHR-UHFFFAOYSA-N 2 1 263.429 2.734 50 30 CFEAMP Cc1[nH+]ccn1CC[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000670459157 541002751 /nfs/dbraw/zinc/00/27/51/541002751.db2.gz SGJFNBBVMZILEI-CYBMUJFWSA-N 2 1 260.385 2.596 50 30 CFEAMP C=C(C)C[NH+]1CCC([NH2+]C2CCSCC2)CC1 ZINC000095381590 393811773 /nfs/dbraw/zinc/81/17/73/393811773.db2.gz JXOBHNXFCMRJAG-UHFFFAOYSA-N 2 1 254.443 2.512 50 30 CFEAMP CN1c2ccccc2C(C)(C)/C1=C\C=[NH+]N1CC[NH+](C)CC1 ZINC000252510986 393936711 /nfs/dbraw/zinc/93/67/11/393936711.db2.gz CRUVMGRDPLBMNJ-PCRNRUPKSA-N 2 1 298.434 2.531 50 30 CFEAMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCC#N)C1 ZINC000106853268 393867766 /nfs/dbraw/zinc/86/77/66/393867766.db2.gz YLWDVPGPBVQFKC-HOTGVXAUSA-N 2 1 263.429 2.877 50 30 CFEAMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCC#N)C1 ZINC000106853268 393867770 /nfs/dbraw/zinc/86/77/70/393867770.db2.gz YLWDVPGPBVQFKC-HOTGVXAUSA-N 2 1 263.429 2.877 50 30 CFEAMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCC#N)C1 ZINC000106853268 393867772 /nfs/dbraw/zinc/86/77/72/393867772.db2.gz YLWDVPGPBVQFKC-HOTGVXAUSA-N 2 1 263.429 2.877 50 30 CFEAMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCC#N)C1 ZINC000106853268 393867775 /nfs/dbraw/zinc/86/77/75/393867775.db2.gz YLWDVPGPBVQFKC-HOTGVXAUSA-N 2 1 263.429 2.877 50 30 CFEAMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC#N)CC1 ZINC000069486566 523344763 /nfs/dbraw/zinc/34/47/63/523344763.db2.gz HXVYSUWNORXQNE-UHFFFAOYSA-N 2 1 271.408 2.744 50 30 CFEAMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC#N)CC1 ZINC000069486566 523344772 /nfs/dbraw/zinc/34/47/72/523344772.db2.gz HXVYSUWNORXQNE-UHFFFAOYSA-N 2 1 271.408 2.744 50 30 CFEAMP C=CCC[NH+]1CCC(Nc2cc(C)[nH+]c(C)n2)CC1 ZINC000888101231 619133671 /nfs/dbraw/zinc/13/36/71/619133671.db2.gz WHZVASCZLFKXNO-UHFFFAOYSA-N 2 1 260.385 2.546 50 30 CFEAMP C#CCOc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000172114406 379496687 /nfs/dbraw/zinc/49/66/87/379496687.db2.gz YIKQXKQMGDVASC-UHFFFAOYSA-N 2 1 298.430 2.663 50 30 CFEAMP C=C(Cl)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069535829 518648364 /nfs/dbraw/zinc/64/83/64/518648364.db2.gz SSVOEKZMTYMALR-OKILXGFUSA-N 2 1 286.847 2.560 50 30 CFEAMP C=C(Cl)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069535829 518648371 /nfs/dbraw/zinc/64/83/71/518648371.db2.gz SSVOEKZMTYMALR-OKILXGFUSA-N 2 1 286.847 2.560 50 30 CFEAMP C=CCOc1ccc(C[NH2+]CCC[NH+](C)C)cc1OCC ZINC000008254458 170327357 /nfs/dbraw/zinc/32/73/57/170327357.db2.gz SATOZEBJGCEWJK-UHFFFAOYSA-N 2 1 292.423 2.691 50 30 CFEAMP C#C[C@H](CCC)[NH2+][C@@]1(C[NH3+])CCC(C)(C)C[C@@H]1C ZINC000229949514 778287150 /nfs/dbraw/zinc/28/71/50/778287150.db2.gz LOVXNJUPYZEMJB-SQWLQELKSA-N 2 1 250.430 2.922 50 30 CFEAMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(C#N)c1 ZINC000032928726 372478158 /nfs/dbraw/zinc/47/81/58/372478158.db2.gz OWLFLFCXFHGILN-KRWDZBQOSA-N 2 1 271.408 2.864 50 30 CFEAMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(C#N)c1 ZINC000032928726 372478161 /nfs/dbraw/zinc/47/81/61/372478161.db2.gz OWLFLFCXFHGILN-KRWDZBQOSA-N 2 1 271.408 2.864 50 30 CFEAMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC000032928726 372478163 /nfs/dbraw/zinc/47/81/63/372478163.db2.gz OWLFLFCXFHGILN-KRWDZBQOSA-N 2 1 271.408 2.864 50 30 CFEAMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC000032928726 372478165 /nfs/dbraw/zinc/47/81/65/372478165.db2.gz OWLFLFCXFHGILN-KRWDZBQOSA-N 2 1 271.408 2.864 50 30 CFEAMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCC#N)C1 ZINC000071905289 393641565 /nfs/dbraw/zinc/64/15/65/393641565.db2.gz YLWDVPGPBVQFKC-HZPDHXFCSA-N 2 1 263.429 2.877 50 30 CFEAMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCC#N)C1 ZINC000071905289 393641570 /nfs/dbraw/zinc/64/15/70/393641570.db2.gz YLWDVPGPBVQFKC-HZPDHXFCSA-N 2 1 263.429 2.877 50 30 CFEAMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCC#N)C1 ZINC000071905289 393641575 /nfs/dbraw/zinc/64/15/75/393641575.db2.gz YLWDVPGPBVQFKC-HZPDHXFCSA-N 2 1 263.429 2.877 50 30 CFEAMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCC#N)C1 ZINC000071905289 393641576 /nfs/dbraw/zinc/64/15/76/393641576.db2.gz YLWDVPGPBVQFKC-HZPDHXFCSA-N 2 1 263.429 2.877 50 30 CFEAMP N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)o1 ZINC000071681964 176245712 /nfs/dbraw/zinc/24/57/12/176245712.db2.gz XQSNDDYQDSNISK-ZDUSSCGKSA-N 2 1 281.359 2.599 50 30 CFEAMP C=C(Cl)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000069535832 518649276 /nfs/dbraw/zinc/64/92/76/518649276.db2.gz SSVOEKZMTYMALR-KBPBESRZSA-N 2 1 286.847 2.560 50 30 CFEAMP C=CCC[C@@H](O)C[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000095966206 185045317 /nfs/dbraw/zinc/04/53/17/185045317.db2.gz OISKBFAWVZFTCQ-MRXNPFEDSA-N 2 1 289.423 2.593 50 30 CFEAMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccccc1C#N ZINC000136311947 378194599 /nfs/dbraw/zinc/19/45/99/378194599.db2.gz XCFXKCLMUAVSIL-UHFFFAOYSA-N 2 1 268.364 2.585 50 30 CFEAMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccccc1C#N ZINC000136311947 378194606 /nfs/dbraw/zinc/19/46/06/378194606.db2.gz XCFXKCLMUAVSIL-UHFFFAOYSA-N 2 1 268.364 2.585 50 30 CFEAMP CC[C@@]1(C)C[C@@]2(CCC[N@@H+](CC#CC[NH+](C)C)C2)CCO1 ZINC000004023336 393457560 /nfs/dbraw/zinc/45/75/60/393457560.db2.gz YSTCJAQWGIWABF-ZWKOTPCHSA-N 2 1 292.467 2.613 50 30 CFEAMP C=CCC[C@H](O)C[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000095966207 185045500 /nfs/dbraw/zinc/04/55/00/185045500.db2.gz OISKBFAWVZFTCQ-INIZCTEOSA-N 2 1 289.423 2.593 50 30 CFEAMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000095422060 375440298 /nfs/dbraw/zinc/44/02/98/375440298.db2.gz CVRUSGOQVKGAGJ-OAHLLOKOSA-N 2 1 280.456 2.963 50 30 CFEAMP C=C(Br)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000052442300 518582309 /nfs/dbraw/zinc/58/23/09/518582309.db2.gz RWPRPJWBZWMJSI-UHFFFAOYSA-N 2 1 275.234 2.559 50 30 CFEAMP