smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOc1ccc(CNCC[NH+](CC)CC)cc1OCC ZINC000022075905 182307772 /nfs/dbraw/zinc/30/77/72/182307772.db2.gz ONMYHDYBMNRTBU-UHFFFAOYSA-N 1 1 306.450 3.082 40 30 DGEBMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000096048211 431935021 /nfs/dbraw/zinc/93/50/21/431935021.db2.gz MBNSOHNQAKKGER-RBUKOAKNSA-N 1 1 317.429 3.021 40 30 DGEBMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1scnc1C)C2 ZINC000096039699 431935102 /nfs/dbraw/zinc/93/51/02/431935102.db2.gz UTMGNIZNOGDLJL-DLBZAZTESA-N 1 1 322.474 3.025 40 30 DGEBMO O=C1c2cccn2CC1=C[NH2+]Nc1cccc(C(F)(F)F)c1 ZINC000072414128 191155249 /nfs/dbraw/zinc/15/52/49/191155249.db2.gz SMOLMVYKZIGZNY-NTMALXAHSA-N 1 1 307.275 3.204 40 30 DGEBMO N#CC[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000038958429 183013344 /nfs/dbraw/zinc/01/33/44/183013344.db2.gz NMFYHCYOYUZSSI-HXUWFJFHSA-N 1 1 305.425 3.287 40 30 DGEBMO N#CC[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000038958429 183013346 /nfs/dbraw/zinc/01/33/46/183013346.db2.gz NMFYHCYOYUZSSI-HXUWFJFHSA-N 1 1 305.425 3.287 40 30 DGEBMO CC(/C=C\c1ccc(N(C)C)cc1)=[NH+]/NC(=S)NCC(C)C ZINC000008615709 431401605 /nfs/dbraw/zinc/40/16/05/431401605.db2.gz MTQDXMTUELVTJC-YALQINERSA-N 1 1 318.490 3.262 40 30 DGEBMO C#CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000012113176 431491801 /nfs/dbraw/zinc/49/18/01/431491801.db2.gz OCLVGDHKPYKYSJ-NHCUHLMSSA-N 1 1 304.437 3.268 40 30 DGEBMO CN(C)CC[N@@H+](C)CC(C)(C)C(=O)/C=C\c1ccc(Cl)cc1 ZINC000031961747 431768481 /nfs/dbraw/zinc/76/84/81/431768481.db2.gz KIFWJXZJCIYRCX-FLIBITNWSA-N 1 1 322.880 3.442 40 30 DGEBMO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1csc(C)n1)C2 ZINC000096039607 431935411 /nfs/dbraw/zinc/93/54/11/431935411.db2.gz PVCLIQFSKOWKLJ-DLBZAZTESA-N 1 1 322.474 3.025 40 30 DGEBMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1csc(C)n1)C2 ZINC000096039607 431935414 /nfs/dbraw/zinc/93/54/14/431935414.db2.gz PVCLIQFSKOWKLJ-DLBZAZTESA-N 1 1 322.474 3.025 40 30 DGEBMO C=CCOC[C@@H]1C[C@H]2OCC[N@H+](Cc3ccc(C)s3)[C@@H]2C1 ZINC000096082743 431938102 /nfs/dbraw/zinc/93/81/02/431938102.db2.gz MXUCCCRSUMCQJF-USXIJHARSA-N 1 1 307.459 3.239 40 30 DGEBMO CC1=CC(C)(C)N(C(C)C)c2ccc(/C=[NH+]/NC(N)=S)cc21 ZINC000223475268 432675591 /nfs/dbraw/zinc/67/55/91/432675591.db2.gz LMMQYURMRIISJG-VXLYETTFSA-N 1 1 316.474 3.264 40 30 DGEBMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000107730538 432039573 /nfs/dbraw/zinc/03/95/73/432039573.db2.gz MBNSOHNQAKKGER-MOPGFXCFSA-N 1 1 317.429 3.021 40 30 DGEBMO CC(C)NC(=[NH2+])NC(=N)Nc1cc2ccccc2c2ccccc12 ZINC000005834517 181287771 /nfs/dbraw/zinc/28/77/71/181287771.db2.gz NPRXDSFORVQYFB-UHFFFAOYSA-N 1 1 319.412 3.443 40 30 DGEBMO CCN1c2cc(C)c(/C=[NH+]/NC(N)=S)cc2[C@H](C)CC1(C)C ZINC000208320264 400942062 /nfs/dbraw/zinc/94/20/62/400942062.db2.gz JOQHVWQLDSVGTO-AINDZBIGSA-N 1 1 318.490 3.274 40 30 DGEBMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096050008 431935532 /nfs/dbraw/zinc/93/55/32/431935532.db2.gz YDOYCCZCBFHIBM-LJQANCHMSA-N 1 1 316.420 3.359 40 30 DGEBMO C=CCOC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(OC)cc2)O1 ZINC000096056390 431936143 /nfs/dbraw/zinc/93/61/43/431936143.db2.gz HDCBIOYQFFXWCH-GUDVDZBRSA-N 1 1 317.429 3.020 40 30 DGEBMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](Cc1ccc(C)o1)C2 ZINC000096056888 431936614 /nfs/dbraw/zinc/93/66/14/431936614.db2.gz XLTSYOUXUSIDMS-ZWKOTPCHSA-N 1 1 305.418 3.162 40 30 DGEBMO C[N@H+]1CCc2nc(Cl)c(C#N)c(-c3ccc(F)cc3)c2C1 ZINC000096511129 431954984 /nfs/dbraw/zinc/95/49/84/431954984.db2.gz FDFFYKPSROKJPD-UHFFFAOYSA-N 1 1 301.752 3.401 40 30 DGEBMO CCOc1ccccc1/C=N\N1CC[NH+](Cc2ccccc2)CC1 ZINC000013154661 521448742 /nfs/dbraw/zinc/44/87/42/521448742.db2.gz CSOCDXBNNWJKLT-PGMHBOJBSA-N 1 1 323.440 3.237 40 30 DGEBMO CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C#N ZINC000005439254 431307555 /nfs/dbraw/zinc/30/75/55/431307555.db2.gz PLIJAYXVZSWMJM-BJJXKVORSA-N 1 1 300.402 3.173 40 30 DGEBMO CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C#N ZINC000005439251 431307695 /nfs/dbraw/zinc/30/76/95/431307695.db2.gz PLIJAYXVZSWMJM-XPKDYRNWSA-N 1 1 300.402 3.173 40 30 DGEBMO NC(=[NH2+])NN=C(N=Nc1ccccc1)c1ccc(Cl)cc1 ZINC000017429912 431615299 /nfs/dbraw/zinc/61/52/99/431615299.db2.gz JFIGKXRBONWCTJ-RYCMDIMXSA-N 1 1 300.753 3.269 40 30 DGEBMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096048206 431934876 /nfs/dbraw/zinc/93/48/76/431934876.db2.gz OVIFTAOZQXQKED-QZTJIDSGSA-N 1 1 305.393 3.152 40 30 DGEBMO C=CCOC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(C)s1 ZINC000096066779 431936097 /nfs/dbraw/zinc/93/60/97/431936097.db2.gz KKIZTDTYZREYFJ-MRXNPFEDSA-N 1 1 317.458 3.092 40 30 DGEBMO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(C)s1 ZINC000096066779 431936100 /nfs/dbraw/zinc/93/61/00/431936100.db2.gz KKIZTDTYZREYFJ-MRXNPFEDSA-N 1 1 317.458 3.092 40 30 DGEBMO C=CCOC[C@H]1c2c(ncn2C)CC[N@H+]1Cc1ccc(C)s1 ZINC000096066778 431937177 /nfs/dbraw/zinc/93/71/77/431937177.db2.gz KKIZTDTYZREYFJ-INIZCTEOSA-N 1 1 317.458 3.092 40 30 DGEBMO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccc(C)s1 ZINC000096066778 431937179 /nfs/dbraw/zinc/93/71/79/431937179.db2.gz KKIZTDTYZREYFJ-INIZCTEOSA-N 1 1 317.458 3.092 40 30 DGEBMO CC/[NH+]=C1/Sc2nc3ccc(C)cc3cc2CN1CCCO ZINC000004858390 181164623 /nfs/dbraw/zinc/16/46/23/181164623.db2.gz GRLBBKBRABKDQZ-ISLYRVAYSA-N 1 1 315.442 3.209 40 30 DGEBMO CC(/C=C/c1ccc(N(C)C)cc1)=[NH+]/NC(=S)NCC(C)C ZINC000017314201 182082636 /nfs/dbraw/zinc/08/26/36/182082636.db2.gz MTQDXMTUELVTJC-SUJSHMTESA-N 1 1 318.490 3.262 40 30 DGEBMO C#C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C#C)N1Cc1ccccc1 ZINC000019690813 182136847 /nfs/dbraw/zinc/13/68/47/182136847.db2.gz ZTFOEIQRDUQSCM-FGZHOGPDSA-N 1 1 314.432 3.008 40 30 DGEBMO C=CC[N@@H+]1CCCC12CCN(C(=O)Cc1cccc(F)c1)CC2 ZINC000096063186 431936801 /nfs/dbraw/zinc/93/68/01/431936801.db2.gz ZZZMFKUQJQUZLP-UHFFFAOYSA-N 1 1 316.420 3.011 40 30 DGEBMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccncc1)[C@H]2CC ZINC000096052460 431937011 /nfs/dbraw/zinc/93/70/11/431937011.db2.gz VMSJAPHIEBKXMP-HKUYNNGSSA-N 1 1 313.445 3.003 40 30 DGEBMO C=CC[N@@H+]1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCc1nnnn12 ZINC000218905252 432659999 /nfs/dbraw/zinc/65/99/99/432659999.db2.gz VRIQMCSJBUQQMX-LNLFQRSKSA-N 1 1 323.444 3.116 40 30 DGEBMO CC(C)N1c2ccc(/C=[NH+]/NC(N)=S)cc2[C@@H](C)CC1(C)C ZINC000223542544 432677974 /nfs/dbraw/zinc/67/79/74/432677974.db2.gz PNVBQDXVKXIZNC-NJDFMEINSA-N 1 1 318.490 3.354 40 30 DGEBMO CC(C)N1c2ccc(/C=[NH+]/NC(N)=S)cc2[C@H](C)CC1(C)C ZINC000260569331 333129935 /nfs/dbraw/zinc/12/99/35/333129935.db2.gz PNVBQDXVKXIZNC-AINDZBIGSA-N 1 1 318.490 3.354 40 30 DGEBMO CCOc1ccc(/C=N\N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019790539 520856621 /nfs/dbraw/zinc/85/66/21/520856621.db2.gz VNUAROAVXUOXEL-PGMHBOJBSA-N 1 1 323.440 3.237 40 30 DGEBMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1scnc1C)C2 ZINC000107711773 432036729 /nfs/dbraw/zinc/03/67/29/432036729.db2.gz UTMGNIZNOGDLJL-SJORKVTESA-N 1 1 322.474 3.025 40 30 DGEBMO CCCCNC(=S)N(C)/[NH+]=C/c1ccc(N2CCCC2)cc1 ZINC000036843839 182848133 /nfs/dbraw/zinc/84/81/33/182848133.db2.gz OREPVLOOKLDGJI-XMHGGMMESA-N 1 1 318.490 3.227 40 30 DGEBMO Cc1ccc(/C=C\C(=O)C(C)(C)C[N@H+](C)CCN(C)C)cc1 ZINC000031961750 431768775 /nfs/dbraw/zinc/76/87/75/431768775.db2.gz QRGLURZOULPHCC-QXMHVHEDSA-N 1 1 302.462 3.097 40 30 DGEBMO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccsc1)C2 ZINC000096050000 431935726 /nfs/dbraw/zinc/93/57/26/431935726.db2.gz INJUQSJFUYMKOH-QGZVFWFLSA-N 1 1 304.459 3.281 40 30 DGEBMO C=CCOC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(C)s2)O1 ZINC000096056388 431937225 /nfs/dbraw/zinc/93/72/25/431937225.db2.gz DPHQBOKDTYJFOC-DJIMGWMZSA-N 1 1 307.459 3.381 40 30 DGEBMO C#C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C#C)N1Cc1ccccc1 ZINC000022942266 518352578 /nfs/dbraw/zinc/35/25/78/518352578.db2.gz ZTFOEIQRDUQSCM-SZPZYZBQSA-N 1 1 314.432 3.008 40 30 DGEBMO C#C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C#C)N1Cc1ccccc1 ZINC000022942266 518352580 /nfs/dbraw/zinc/35/25/80/518352580.db2.gz ZTFOEIQRDUQSCM-SZPZYZBQSA-N 1 1 314.432 3.008 40 30 DGEBMO C[NH+]1CCN(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000024035256 523867523 /nfs/dbraw/zinc/86/75/23/523867523.db2.gz GSCQZXARRUCZIG-LDADJPATSA-N 1 1 303.793 3.181 40 30 DGEBMO C=CCOC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(F)cc1 ZINC000107257716 432029270 /nfs/dbraw/zinc/02/92/70/432029270.db2.gz BOJGAKMHKLZJOQ-JQHSSLGASA-N 1 1 305.393 3.008 40 30 DGEBMO C=CCOC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(F)cc1 ZINC000107257716 432029272 /nfs/dbraw/zinc/02/92/72/432029272.db2.gz BOJGAKMHKLZJOQ-JQHSSLGASA-N 1 1 305.393 3.008 40 30 DGEBMO Cc1ccc(/C=C/C(=O)C(C)(C)C[N@H+](C)CCN(C)C)cc1 ZINC000019364933 182118815 /nfs/dbraw/zinc/11/88/15/182118815.db2.gz QRGLURZOULPHCC-VAWYXSNFSA-N 1 1 302.462 3.097 40 30 DGEBMO COc1ccc(C=NNc2cc(C)[nH+]c3ccccc23)cc1OC ZINC000038889770 183012257 /nfs/dbraw/zinc/01/22/57/183012257.db2.gz AOVDNLAOBMRKNF-UDWIEESQSA-N 1 1 321.380 3.428 40 30 DGEBMO N#CC[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000113170603 400379089 /nfs/dbraw/zinc/37/90/89/400379089.db2.gz NMFYHCYOYUZSSI-FQEVSTJZSA-N 1 1 305.425 3.287 40 30 DGEBMO N#CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1 ZINC000113170603 400379092 /nfs/dbraw/zinc/37/90/92/400379092.db2.gz NMFYHCYOYUZSSI-FQEVSTJZSA-N 1 1 305.425 3.287 40 30 DGEBMO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccsc1)C2 ZINC000096049999 431935097 /nfs/dbraw/zinc/93/50/97/431935097.db2.gz INJUQSJFUYMKOH-KRWDZBQOSA-N 1 1 304.459 3.281 40 30 DGEBMO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cccs1)C2 ZINC000096049996 431935447 /nfs/dbraw/zinc/93/54/47/431935447.db2.gz YHSAMDDHIOPAGC-QGZVFWFLSA-N 1 1 304.459 3.281 40 30 DGEBMO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cccs1)C2 ZINC000096056882 431936325 /nfs/dbraw/zinc/93/63/25/431936325.db2.gz ITEMVUHEZLHWGI-DLBZAZTESA-N 1 1 307.459 3.322 40 30 DGEBMO C=CC[N@@H+]1CCC[C@]12CCCN(C(=O)Nc1ccccc1F)C2 ZINC000096214781 431942268 /nfs/dbraw/zinc/94/22/68/431942268.db2.gz HQIGEOIEKMYYES-SFHVURJKSA-N 1 1 317.408 3.474 40 30 DGEBMO NC(=[NH2+])NN=C(N=Nc1ccccc1)c1cccc2cccnc21 ZINC000005014609 181191027 /nfs/dbraw/zinc/19/10/27/181191027.db2.gz TUDUDEOSTLBRDL-KDGLFENRSA-N 1 1 317.356 3.163 40 30 DGEBMO C[NH+]1CCN(/N=C/c2c3ccccc3[nH]c2-c2ccccc2)CC1 ZINC000005294513 273892820 /nfs/dbraw/zinc/89/28/20/273892820.db2.gz DJXMUWQBTLLIDA-RCCKNPSSSA-N 1 1 318.424 3.416 40 30 DGEBMO N#Cc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccccc4)C3)nc2c1 ZINC000035446828 431830917 /nfs/dbraw/zinc/83/09/17/431830917.db2.gz CXYLAPCPVJXQRC-INIZCTEOSA-N 1 1 302.381 3.424 40 30 biogenic,in-vitro DGEBMO N#Cc1ccc2nc([C@H]3CC[N@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC000035446828 431830922 /nfs/dbraw/zinc/83/09/22/431830922.db2.gz CXYLAPCPVJXQRC-INIZCTEOSA-N 1 1 302.381 3.424 40 30 biogenic,in-vitro DGEBMO N#Cc1ccc2nc([C@H]3CC[N@@H+](Cc4ccccc4)C3)[nH]c2c1 ZINC000035446828 431830928 /nfs/dbraw/zinc/83/09/28/431830928.db2.gz CXYLAPCPVJXQRC-INIZCTEOSA-N 1 1 302.381 3.424 40 30 biogenic,in-vitro DGEBMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096050007 431934929 /nfs/dbraw/zinc/93/49/29/431934929.db2.gz YDOYCCZCBFHIBM-IBGZPJMESA-N 1 1 316.420 3.359 40 30 DGEBMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000096048210 431935586 /nfs/dbraw/zinc/93/55/86/431935586.db2.gz MBNSOHNQAKKGER-OALUTQOASA-N 1 1 317.429 3.021 40 30 DGEBMO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cccs1)C2 ZINC000096056880 431936727 /nfs/dbraw/zinc/93/67/27/431936727.db2.gz ITEMVUHEZLHWGI-IAGOWNOFSA-N 1 1 307.459 3.322 40 30 DGEBMO C[N@H+]1CC[C@H]2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)[C@@H]2C1 ZINC000013407365 283143734 /nfs/dbraw/zinc/14/37/34/283143734.db2.gz FSJFZMHXOCVSDB-SJLPKXTDSA-N 1 1 324.468 3.466 40 30 DGEBMO C=C(C)C[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC1=O ZINC000005409489 431309302 /nfs/dbraw/zinc/30/93/02/431309302.db2.gz IWAYHUXQWULHQH-ZBFHGGJFSA-N 1 1 315.413 3.158 40 30 DGEBMO C=C(C)C[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC1=O ZINC000005409489 431309308 /nfs/dbraw/zinc/30/93/08/431309308.db2.gz IWAYHUXQWULHQH-ZBFHGGJFSA-N 1 1 315.413 3.158 40 30 DGEBMO C=CCOCc1cncc2c1CC[N@H+](Cc1cccs1)C2 ZINC000096059278 431936709 /nfs/dbraw/zinc/93/67/09/431936709.db2.gz BWSKNNPAVWPUMG-UHFFFAOYSA-N 1 1 300.427 3.404 40 30 DGEBMO C=CCOCc1cncc2c1CC[N@@H+](Cc1cccs1)C2 ZINC000096059278 431936711 /nfs/dbraw/zinc/93/67/11/431936711.db2.gz BWSKNNPAVWPUMG-UHFFFAOYSA-N 1 1 300.427 3.404 40 30 DGEBMO CCCCCCCCCC[N@@H+](C)CCOCCOCCO ZINC000100069998 332207121 /nfs/dbraw/zinc/20/71/21/332207121.db2.gz VGEGUGLUHVANHO-UHFFFAOYSA-N 1 1 303.487 3.084 40 30 DGEBMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(F)cc1 ZINC000008300528 568422050 /nfs/dbraw/zinc/42/20/50/568422050.db2.gz GUSJCGSSQHSNIT-HEHGZKQESA-N 1 1 319.449 3.009 40 30 biogenic,in-vitro DGEBMO CC(C)(C)N=C(CC[NH+]1CCOCC1)Nc1ccccc1Cl ZINC000017123059 182076563 /nfs/dbraw/zinc/07/65/63/182076563.db2.gz JRHSBKMUVWBKFD-UHFFFAOYSA-N 1 1 323.868 3.480 40 30 DGEBMO C=CCC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC1=O ZINC000005385149 431306709 /nfs/dbraw/zinc/30/67/09/431306709.db2.gz TUMMFTBRTOFPNA-HOCLYGCPSA-N 1 1 315.413 3.158 40 30 DGEBMO C=CCC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC1=O ZINC000005385149 431306716 /nfs/dbraw/zinc/30/67/16/431306716.db2.gz TUMMFTBRTOFPNA-HOCLYGCPSA-N 1 1 315.413 3.158 40 30 DGEBMO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccsc1)C2 ZINC000096056886 431936689 /nfs/dbraw/zinc/93/66/89/431936689.db2.gz FUPRJKLIKGQBKZ-DLBZAZTESA-N 1 1 307.459 3.322 40 30 DGEBMO Cn1c2ccccc2nc1[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000049171160 431937453 /nfs/dbraw/zinc/93/74/53/431937453.db2.gz KHFZOJXDLQQHIJ-KRWDZBQOSA-N 1 1 316.408 3.434 40 30 biogenic,in-vitro DGEBMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cccs1)C2 ZINC000096056879 193508363 /nfs/dbraw/zinc/50/83/63/193508363.db2.gz ITEMVUHEZLHWGI-SJORKVTESA-N 1 1 307.459 3.322 40 30 DGEBMO C[N@H+]1CCc2nc(Cl)c(C#N)c(-c3ccccc3F)c2C1 ZINC000096511132 277188220 /nfs/dbraw/zinc/18/82/20/277188220.db2.gz NQJGHEKHZHAEFI-UHFFFAOYSA-N 1 1 301.752 3.401 40 30 DGEBMO C#CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000012113177 431490885 /nfs/dbraw/zinc/49/08/85/431490885.db2.gz OCLVGDHKPYKYSJ-RTWAWAEBSA-N 1 1 304.437 3.268 40 30 DGEBMO Clc1cccc(/C=N\N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000013112081 431545634 /nfs/dbraw/zinc/54/56/34/431545634.db2.gz KBUIURUSSHIMGT-ZHZULCJRSA-N 1 1 313.832 3.492 40 30 DGEBMO [NH2+]=C(Nc1ccc(Cl)cc1)NN1CCCc2ccccc21 ZINC000031636773 431762248 /nfs/dbraw/zinc/76/22/48/431762248.db2.gz WOAPVWCBVXIOPU-UHFFFAOYSA-N 1 1 300.793 3.244 40 30 DGEBMO C=CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc2ccccc2n1 ZINC000096041531 431935717 /nfs/dbraw/zinc/93/57/17/431935717.db2.gz UNJNNEAMONPGBJ-XUVXKRRUSA-N 1 1 324.424 3.169 40 30 DGEBMO C=CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccc2ccccc2n1 ZINC000096041531 431935718 /nfs/dbraw/zinc/93/57/18/431935718.db2.gz UNJNNEAMONPGBJ-XUVXKRRUSA-N 1 1 324.424 3.169 40 30 DGEBMO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1csc(C)n1)C2 ZINC000107711646 432036904 /nfs/dbraw/zinc/03/69/04/432036904.db2.gz PVCLIQFSKOWKLJ-IRXDYDNUSA-N 1 1 322.474 3.025 40 30 DGEBMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1csc(C)n1)C2 ZINC000107711646 432036907 /nfs/dbraw/zinc/03/69/07/432036907.db2.gz PVCLIQFSKOWKLJ-IRXDYDNUSA-N 1 1 322.474 3.025 40 30 DGEBMO CCN(CC)c1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1 ZINC000005139425 181208431 /nfs/dbraw/zinc/20/84/31/181208431.db2.gz LCYPBPWKIODAKD-WOJGMQOQSA-N 1 1 313.361 3.282 40 30 DGEBMO O=[N+]([O-])c1ccc(/C=N/C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000017610800 182084690 /nfs/dbraw/zinc/08/46/90/182084690.db2.gz VCXCNOFLXXFITD-YQMBXKBSSA-N 1 1 301.390 3.278 40 30 DGEBMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1scnc1C)C2 ZINC000096039698 431934835 /nfs/dbraw/zinc/93/48/35/431934835.db2.gz UTMGNIZNOGDLJL-IAGOWNOFSA-N 1 1 322.474 3.025 40 30 DGEBMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C)s1)C2 ZINC000096048204 431936008 /nfs/dbraw/zinc/93/60/08/431936008.db2.gz LRVZGSURESJMEM-RDJZCZTQSA-N 1 1 307.459 3.383 40 30 DGEBMO C=CCOC[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccc(F)cc3)[C@H]2C1 ZINC000096250427 431944208 /nfs/dbraw/zinc/94/42/08/431944208.db2.gz BOJGAKMHKLZJOQ-RYQLBKOJSA-N 1 1 305.393 3.008 40 30 DGEBMO C=CCOC[C@@H]1C[C@H]2OCC[N@H+](Cc3ccc(F)cc3)[C@H]2C1 ZINC000096250427 431944210 /nfs/dbraw/zinc/94/42/10/431944210.db2.gz BOJGAKMHKLZJOQ-RYQLBKOJSA-N 1 1 305.393 3.008 40 30 DGEBMO C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1ccc(C)s1 ZINC000248121306 432269100 /nfs/dbraw/zinc/26/91/00/432269100.db2.gz VLFOQSZKAHBOAN-UAGQMJEPSA-N 1 1 307.459 3.239 40 30 DGEBMO C#CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000248001956 432261518 /nfs/dbraw/zinc/26/15/18/432261518.db2.gz OCLVGDHKPYKYSJ-LEWJYISDSA-N 1 1 304.437 3.268 40 30 DGEBMO C[N@H+]1CC[C@@H]2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)[C@H]2C1 ZINC000004273420 290147369 /nfs/dbraw/zinc/14/73/69/290147369.db2.gz FSJFZMHXOCVSDB-WMZOPIPTSA-N 1 1 324.468 3.466 40 30 DGEBMO Clc1ccccc1/C=N\N1CC[NH+](Cc2ccccc2)CC1 ZINC000012489529 294115000 /nfs/dbraw/zinc/11/50/00/294115000.db2.gz LSJRRRNUMMUDPM-ZHZULCJRSA-N 1 1 313.832 3.492 40 30 DGEBMO CC(=O)c1c(C)nc2c(cnn2-c2ccccc2)c1[NH+]=CN(C)C ZINC001554503595 1188971290 /nfs/dbraw/zinc/97/12/90/1188971290.db2.gz POPVLEDKSDWDSG-YBFXNURJSA-N 1 1 321.384 3.153 40 30 DGEBMO C=CCC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC1=O ZINC000005385147 431308071 /nfs/dbraw/zinc/30/80/71/431308071.db2.gz TUMMFTBRTOFPNA-ZBFHGGJFSA-N 1 1 315.413 3.158 40 30 DGEBMO C=CCC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC1=O ZINC000005385147 431308076 /nfs/dbraw/zinc/30/80/76/431308076.db2.gz TUMMFTBRTOFPNA-ZBFHGGJFSA-N 1 1 315.413 3.158 40 30 DGEBMO NC(=[NH2+])NN=C(N=Nc1ccccc1)c1ccc(Cl)cc1 ZINC000008627589 431403330 /nfs/dbraw/zinc/40/33/30/431403330.db2.gz JFIGKXRBONWCTJ-UETGCZNMSA-N 1 1 300.753 3.269 40 30 DGEBMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(C)s1)C2 ZINC000096048205 431935886 /nfs/dbraw/zinc/93/58/86/431935886.db2.gz LRVZGSURESJMEM-DOTOQJQBSA-N 1 1 307.459 3.383 40 30 DGEBMO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cccs1)C2 ZINC000096049995 431935932 /nfs/dbraw/zinc/93/59/32/431935932.db2.gz YHSAMDDHIOPAGC-KRWDZBQOSA-N 1 1 304.459 3.281 40 30 DGEBMO C=CCOCc1cncc2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000096059283 431936669 /nfs/dbraw/zinc/93/66/69/431936669.db2.gz YOMSYBICOUBWGU-UHFFFAOYSA-N 1 1 324.424 3.351 40 30 DGEBMO C=CCOCc1cncc2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000096059283 431936670 /nfs/dbraw/zinc/93/66/70/431936670.db2.gz YOMSYBICOUBWGU-UHFFFAOYSA-N 1 1 324.424 3.351 40 30 DGEBMO O=[N+]([O-])c1ccc(/C=N/C[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000033296154 400382451 /nfs/dbraw/zinc/38/24/51/400382451.db2.gz VCXCNOFLXXFITD-LUHQZAGKSA-N 1 1 301.390 3.278 40 30 DGEBMO C=CCn1cc(C[N@H+](CCO)Cc2ccccn2)c2ccccc21 ZINC000013991068 431574047 /nfs/dbraw/zinc/57/40/47/431574047.db2.gz LXCUVLQXJZUSEI-UHFFFAOYSA-N 1 1 321.424 3.217 40 30 DGEBMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1cccs1)CCO2 ZINC000096051881 431935570 /nfs/dbraw/zinc/93/55/70/431935570.db2.gz TYXZRGUGDOPQCL-DOTOQJQBSA-N 1 1 307.459 3.322 40 30 DGEBMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096048209 431935691 /nfs/dbraw/zinc/93/56/91/431935691.db2.gz OVIFTAOZQXQKED-ROUUACIJSA-N 1 1 305.393 3.152 40 30 DGEBMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1cccnc1)[C@H]2CC ZINC000096052459 431936233 /nfs/dbraw/zinc/93/62/33/431936233.db2.gz XYGGBHGIXMHLTQ-HKUYNNGSSA-N 1 1 313.445 3.003 40 30 DGEBMO N#Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000050027021 431945901 /nfs/dbraw/zinc/94/59/01/431945901.db2.gz XFEVGKGAHCFCKX-SFHVURJKSA-N 1 1 319.408 3.409 40 30 DGEBMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1ccc(C)o1)C2 ZINC000107751852 432039907 /nfs/dbraw/zinc/03/99/07/432039907.db2.gz XLTSYOUXUSIDMS-ROUUACIJSA-N 1 1 305.418 3.162 40 30 DGEBMO C=CCC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC1=O ZINC000001563314 431230377 /nfs/dbraw/zinc/23/03/77/431230377.db2.gz TUMMFTBRTOFPNA-GOEBONIOSA-N 1 1 315.413 3.158 40 30 DGEBMO C=CCC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC1=O ZINC000001563314 431230381 /nfs/dbraw/zinc/23/03/81/431230381.db2.gz TUMMFTBRTOFPNA-GOEBONIOSA-N 1 1 315.413 3.158 40 30 DGEBMO NC(=[NH2+])NN=C(N=Nc1ccccc1)c1cccc2cccnc21 ZINC000017429908 431615729 /nfs/dbraw/zinc/61/57/29/431615729.db2.gz TUDUDEOSTLBRDL-LNBOCMCBSA-N 1 1 317.356 3.163 40 30 DGEBMO C=CCN1CC[N@@H+](Cc2ccc(OC)cc2)Cc2cccnc21 ZINC000096060953 431937247 /nfs/dbraw/zinc/93/72/47/431937247.db2.gz SDYMKCFEYXHXAC-UHFFFAOYSA-N 1 1 309.413 3.098 40 30 DGEBMO C=CCN1CC[N@H+](Cc2ccc(OC)cc2)Cc2cccnc21 ZINC000096060953 431937250 /nfs/dbraw/zinc/93/72/50/431937250.db2.gz SDYMKCFEYXHXAC-UHFFFAOYSA-N 1 1 309.413 3.098 40 30 DGEBMO C=CCOC[C@H]1C[C@H]2OCC[N@H+](Cc3ccc(C)s3)[C@@H]2C1 ZINC000096082744 431938326 /nfs/dbraw/zinc/93/83/26/431938326.db2.gz MXUCCCRSUMCQJF-DJIMGWMZSA-N 1 1 307.459 3.239 40 30 DGEBMO C=CC[N@@H+]1CCCC12CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000096159380 431940691 /nfs/dbraw/zinc/94/06/91/431940691.db2.gz YYOOUKMSMKTWRF-UHFFFAOYSA-N 1 1 302.393 3.082 40 30 DGEBMO C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1ccc(F)cc1 ZINC000253374820 432390442 /nfs/dbraw/zinc/39/04/42/432390442.db2.gz NRPRCRHJOZGKPX-JQHSSLGASA-N 1 1 305.393 3.008 40 30 DGEBMO C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1ccc(F)cc1 ZINC000253374820 432390444 /nfs/dbraw/zinc/39/04/44/432390444.db2.gz NRPRCRHJOZGKPX-JQHSSLGASA-N 1 1 305.393 3.008 40 30 DGEBMO O/N=C(/C[C@@H](c1ccccc1)[NH+]1CCOCC1)c1ccccc1 ZINC000017130930 182076532 /nfs/dbraw/zinc/07/65/32/182076532.db2.gz CLBRIJPWPBXYOT-HQMFNGAOSA-N 1 1 310.397 3.329 40 30 DGEBMO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(F)c(Cl)c1 ZINC000008300008 400122054 /nfs/dbraw/zinc/12/20/54/400122054.db2.gz OFVDMBHFQYILFM-SGMGOOAPSA-N 1 1 322.811 3.105 40 30 biogenic,in-vitro DGEBMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccc(C)o1)C2 ZINC000096050004 431934925 /nfs/dbraw/zinc/93/49/25/431934925.db2.gz QHJXKBOTCFSNHB-SFHVURJKSA-N 1 1 302.418 3.121 40 30 DGEBMO C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1ccc(C)s1 ZINC000107747214 432039478 /nfs/dbraw/zinc/03/94/78/432039478.db2.gz VLFOQSZKAHBOAN-BHYGNILZSA-N 1 1 307.459 3.239 40 30 DGEBMO C[C@@H](C[NH+]1CCOCC1)C(C#N)(c1ccccc1)c1ccccc1 ZINC000031614131 431760726 /nfs/dbraw/zinc/76/07/26/431760726.db2.gz LKXCOEFQNUYUQQ-SFHVURJKSA-N 1 1 320.436 3.465 40 30 DGEBMO C=CC[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1CCCCC1)C2 ZINC000035289798 431828537 /nfs/dbraw/zinc/82/85/37/431828537.db2.gz YQDIISZSEKGREV-ALOPSCKCSA-N 1 1 305.466 3.190 40 30 DGEBMO C[NH+](C)CCC(N=Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000016953421 524046903 /nfs/dbraw/zinc/04/69/03/524046903.db2.gz WZLVHZWRVPYSGP-ZPHPHTNESA-N 1 1 312.373 3.363 40 30 DGEBMO NC(=[NH2+])NN=C(N=Nc1ccccc1)c1ccc(Cl)cc1 ZINC000104094962 432014482 /nfs/dbraw/zinc/01/44/82/432014482.db2.gz JFIGKXRBONWCTJ-QEOBVQOJSA-N 1 1 300.753 3.269 40 30 DGEBMO C[N@H+]1CC[C@H]2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)[C@H]2C1 ZINC000004273419 181090888 /nfs/dbraw/zinc/09/08/88/181090888.db2.gz FSJFZMHXOCVSDB-AEFFLSMTSA-N 1 1 324.468 3.466 40 30 DGEBMO CN(C)CC[N@@H+](C)CC(C)(C)C(=O)/C=C/c1ccc(Cl)cc1 ZINC000019364931 182119103 /nfs/dbraw/zinc/11/91/03/182119103.db2.gz KIFWJXZJCIYRCX-DHZHZOJOSA-N 1 1 322.880 3.442 40 30 DGEBMO C=CCOCc1ncn2c1C[N@H+](Cc1ccsc1)CCC2 ZINC000096058991 431936109 /nfs/dbraw/zinc/93/61/09/431936109.db2.gz SALCRXFFOIFEMB-UHFFFAOYSA-N 1 1 303.431 3.053 40 30 DGEBMO C=CCOCc1ncn2c1C[N@@H+](Cc1ccsc1)CCC2 ZINC000096058991 431936112 /nfs/dbraw/zinc/93/61/12/431936112.db2.gz SALCRXFFOIFEMB-UHFFFAOYSA-N 1 1 303.431 3.053 40 30 DGEBMO C=CCOC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(F)cc2)O1 ZINC000096056389 431936610 /nfs/dbraw/zinc/93/66/10/431936610.db2.gz XVNCDTMQCTXAGO-KZNAEPCWSA-N 1 1 305.393 3.150 40 30 DGEBMO C=CC[N@@H+]1CCC[C@@]12CCCN(C(=O)Nc1ccccc1F)C2 ZINC000096214780 431943046 /nfs/dbraw/zinc/94/30/46/431943046.db2.gz HQIGEOIEKMYYES-GOSISDBHSA-N 1 1 317.408 3.474 40 30 DGEBMO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000052909141 431959486 /nfs/dbraw/zinc/95/94/86/431959486.db2.gz LQQNMUUUYDAZEC-UHFFFAOYSA-N 1 1 315.417 3.047 40 30 DGEBMO N#CCCN1CCC(CCCC2CC[NH+](CCC#N)CC2)CC1 ZINC000002009453 331468492 /nfs/dbraw/zinc/46/84/92/331468492.db2.gz CUFGCSGPBRYOBH-UHFFFAOYSA-N 1 1 316.493 3.408 40 30 DGEBMO O/N=C(\C[C@@H](c1ccccc1)[NH+]1CCOCC1)c1ccccc1 ZINC000104226013 432015962 /nfs/dbraw/zinc/01/59/62/432015962.db2.gz CLBRIJPWPBXYOT-WOOAAIBNSA-N 1 1 310.397 3.329 40 30 DGEBMO CC(C)NC(=S)N/[NH+]=C/C=C1/N(C)c2ccccc2C1(C)C ZINC000007734758 275656598 /nfs/dbraw/zinc/65/65/98/275656598.db2.gz LVUPMDBKTNFBRP-MIKCAUBTSA-N 1 1 316.474 3.156 40 30 DGEBMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096048207 431935384 /nfs/dbraw/zinc/93/53/84/431935384.db2.gz OVIFTAOZQXQKED-ZWKOTPCHSA-N 1 1 305.393 3.152 40 30 DGEBMO C[C@H]1CCCC[N@H+]1CCCOc1cc([N+](=O)[O-])ccc1C#N ZINC000001661193 431232407 /nfs/dbraw/zinc/23/24/07/431232407.db2.gz BIFOCDVXNPGDQP-ZDUSSCGKSA-N 1 1 303.362 3.110 40 30 DGEBMO C=CCOCc1ncn2c1C[N@H+](Cc1ccc(C)s1)CCC2 ZINC000096058995 431936658 /nfs/dbraw/zinc/93/66/58/431936658.db2.gz QLSLRTDZTWWEKB-UHFFFAOYSA-N 1 1 317.458 3.362 40 30 DGEBMO C=CCOCc1ncn2c1C[N@@H+](Cc1ccc(C)s1)CCC2 ZINC000096058995 431936659 /nfs/dbraw/zinc/93/66/59/431936659.db2.gz QLSLRTDZTWWEKB-UHFFFAOYSA-N 1 1 317.458 3.362 40 30 DGEBMO C=CCOC[C@H]1Cn2nccc2C[N@@H+](Cc2ccc(C)s2)C1 ZINC000096059225 193510716 /nfs/dbraw/zinc/51/07/16/193510716.db2.gz SJVKJJGQENKNMD-OAHLLOKOSA-N 1 1 317.458 3.088 40 30 DGEBMO CCc1ccc(/C=N\N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019790533 182149315 /nfs/dbraw/zinc/14/93/15/182149315.db2.gz DOWZIOLVPXYXPC-PGMHBOJBSA-N 1 1 307.441 3.401 40 30 DGEBMO COc1ccc(-c2c(C#N)c(Cl)nc3c2C[N@@H+](C)CC3)cc1 ZINC000096511136 277396378 /nfs/dbraw/zinc/39/63/78/277396378.db2.gz HNCYVQUMIQFKSE-UHFFFAOYSA-N 1 1 313.788 3.270 40 30 DGEBMO N#Cc1cccc(C[N@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)c1 ZINC000035446636 431830853 /nfs/dbraw/zinc/83/08/53/431830853.db2.gz FKRDZFVQBHCYJN-INIZCTEOSA-N 1 1 302.381 3.424 40 30 biogenic,in-vitro DGEBMO N#Cc1cccc(C[N@H+]2CC[C@H](c3nnc(-c4ccco4)o3)C2)c1 ZINC000049169472 431937093 /nfs/dbraw/zinc/93/70/93/431937093.db2.gz JSGHDOIFBYQSSD-HNNXBMFYSA-N 1 1 320.352 3.191 40 30 biogenic,in-vitro DGEBMO C=CC[N@H+]1CCC[C@]12CCCN(C(=O)CCc1ccccc1)C2 ZINC000096214753 431942592 /nfs/dbraw/zinc/94/25/92/431942592.db2.gz DQPFKLYSKUJRRE-FQEVSTJZSA-N 1 1 312.457 3.262 40 30 DGEBMO C=CC[N@H+]1CCC[C@@]12CCCN(C(=O)CCc1ccccc1)C2 ZINC000096214752 431943158 /nfs/dbraw/zinc/94/31/58/431943158.db2.gz DQPFKLYSKUJRRE-HXUWFJFHSA-N 1 1 312.457 3.262 40 30 DGEBMO C=CCOC[C@@H]1C[C@@H]2OCC[N@@H+](Cc3ccc(F)cc3)[C@H]2C1 ZINC000253371525 432391090 /nfs/dbraw/zinc/39/10/90/432391090.db2.gz BOJGAKMHKLZJOQ-SZMVWBNQSA-N 1 1 305.393 3.008 40 30 DGEBMO C=CCOC[C@@H]1C[C@@H]2OCC[N@H+](Cc3ccc(F)cc3)[C@H]2C1 ZINC000253371525 432391095 /nfs/dbraw/zinc/39/10/95/432391095.db2.gz BOJGAKMHKLZJOQ-SZMVWBNQSA-N 1 1 305.393 3.008 40 30 DGEBMO CSC(=N\N=C/c1c(F)cccc1Cl)/[NH+]=C\N(C)C ZINC000104244969 432015739 /nfs/dbraw/zinc/01/57/39/432015739.db2.gz LDGWMPWHYWHBNU-WUNMSBFTSA-N 1 1 300.790 3.122 40 30 DGEBMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C)s1)C2 ZINC000107730524 432039946 /nfs/dbraw/zinc/03/99/46/432039946.db2.gz LRVZGSURESJMEM-WBVHZDCISA-N 1 1 307.459 3.383 40 30 DGEBMO Clc1ccc(/C=N\N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013112078 431547027 /nfs/dbraw/zinc/54/70/27/431547027.db2.gz FPOJNXYBFPHMSF-ZHZULCJRSA-N 1 1 313.832 3.492 40 30 DGEBMO O/N=C(/C[C@H](c1ccccc1)[NH+]1CCOCC1)c1ccccc1 ZINC000031771632 431766184 /nfs/dbraw/zinc/76/61/84/431766184.db2.gz CLBRIJPWPBXYOT-LAFOYAEKSA-N 1 1 310.397 3.329 40 30 DGEBMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(C)o1)C2 ZINC000096056887 431936965 /nfs/dbraw/zinc/93/69/65/431936965.db2.gz XLTSYOUXUSIDMS-QZTJIDSGSA-N 1 1 305.418 3.162 40 30 DGEBMO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cccs1)C2 ZINC000096056881 431937276 /nfs/dbraw/zinc/93/72/76/431937276.db2.gz ITEMVUHEZLHWGI-IRXDYDNUSA-N 1 1 307.459 3.322 40 30 DGEBMO CSC(=N/N=C\c1c(F)cccc1Cl)/[NH+]=C/N(C)C ZINC000104244964 432015578 /nfs/dbraw/zinc/01/55/78/432015578.db2.gz LDGWMPWHYWHBNU-DIMIJRKJSA-N 1 1 300.790 3.122 40 30 DGEBMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000096048208 431935057 /nfs/dbraw/zinc/93/50/57/431935057.db2.gz OVIFTAOZQXQKED-MSOLQXFVSA-N 1 1 305.393 3.152 40 30 DGEBMO C=CCOCc1ncn2c1C[N@H+](Cc1cccs1)CCC2 ZINC000096058989 431936985 /nfs/dbraw/zinc/93/69/85/431936985.db2.gz CNPXURCCNLQGON-UHFFFAOYSA-N 1 1 303.431 3.053 40 30 DGEBMO C=CCOCc1ncn2c1C[N@@H+](Cc1cccs1)CCC2 ZINC000096058989 431936986 /nfs/dbraw/zinc/93/69/86/431936986.db2.gz CNPXURCCNLQGON-UHFFFAOYSA-N 1 1 303.431 3.053 40 30 DGEBMO C=CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc(C)s1 ZINC000248121309 432268172 /nfs/dbraw/zinc/26/81/72/432268172.db2.gz VLFOQSZKAHBOAN-XIRDDKMYSA-N 1 1 307.459 3.239 40 30 DGEBMO C=C(C)CN1CC[NH+](Cc2cccc(-n3nc(C)cc3C)c2)CC1 ZINC000019574843 518605210 /nfs/dbraw/zinc/60/52/10/518605210.db2.gz WJQOAORNGPRMPM-UHFFFAOYSA-N 1 1 324.472 3.183 40 30 DGEBMO C=C(C)C[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC1=O ZINC000005409490 431309582 /nfs/dbraw/zinc/30/95/82/431309582.db2.gz IWAYHUXQWULHQH-HOCLYGCPSA-N 1 1 315.413 3.158 40 30 DGEBMO C=C(C)C[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC1=O ZINC000005409490 431309590 /nfs/dbraw/zinc/30/95/90/431309590.db2.gz IWAYHUXQWULHQH-HOCLYGCPSA-N 1 1 315.413 3.158 40 30 DGEBMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccco1)[C@H]2CC ZINC000096038512 431935311 /nfs/dbraw/zinc/93/53/11/431935311.db2.gz IURPUTGEQGHUJZ-WMZOPIPTSA-N 1 1 302.418 3.201 40 30 DGEBMO COc1cccc(/C(C)=N\N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000024091642 525757016 /nfs/dbraw/zinc/75/70/16/525757016.db2.gz PZIZATIBUJHHGQ-FXBPSFAMSA-N 1 1 323.440 3.237 40 30 DGEBMO CSC(=N\N=C/c1c(F)cccc1Cl)/[NH+]=C/N(C)C ZINC000104244974 432015491 /nfs/dbraw/zinc/01/54/91/432015491.db2.gz LDGWMPWHYWHBNU-QLUJTILYSA-N 1 1 300.790 3.122 40 30 DGEBMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1ccc(C)o1)C2 ZINC000107751849 432039189 /nfs/dbraw/zinc/03/91/89/432039189.db2.gz XLTSYOUXUSIDMS-MSOLQXFVSA-N 1 1 305.418 3.162 40 30 DGEBMO CC(/C=C/c1ccc(N(C)C)cc1)=[NH+]\NC(=S)NCC(C)C ZINC000004707232 181140150 /nfs/dbraw/zinc/14/01/50/181140150.db2.gz MTQDXMTUELVTJC-KUZBFYBWSA-N 1 1 318.490 3.262 40 30 DGEBMO O=[N+]([O-])c1ccc(/C=N/C[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000017610803 182084631 /nfs/dbraw/zinc/08/46/31/182084631.db2.gz VCXCNOFLXXFITD-YYXRTCSZSA-N 1 1 301.390 3.278 40 30 DGEBMO CCN1c2cc(C)c(/C=[NH+]/NC(N)=S)cc2[C@@H](C)CC1(C)C ZINC000223572777 276254345 /nfs/dbraw/zinc/25/43/45/276254345.db2.gz JOQHVWQLDSVGTO-NJDFMEINSA-N 1 1 318.490 3.274 40 30 DGEBMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000012170080 431494851 /nfs/dbraw/zinc/49/48/51/431494851.db2.gz SGJBLJQBDGOGHY-SOLBZPMBSA-N 1 1 303.446 3.133 40 30 DGEBMO C=CCn1cc(C[N@H+](C)Cc2cc(=O)[nH]c3ccccc23)c(C)n1 ZINC000012188418 431497973 /nfs/dbraw/zinc/49/79/73/431497973.db2.gz SFGSTIDQIBWMAV-UHFFFAOYSA-N 1 1 322.412 3.263 40 30 DGEBMO C[C@H](C[NH+]1CCOCC1)C(C#N)(c1ccccc1)c1ccccc1 ZINC000031614135 431760198 /nfs/dbraw/zinc/76/01/98/431760198.db2.gz LKXCOEFQNUYUQQ-GOSISDBHSA-N 1 1 320.436 3.465 40 30 DGEBMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000037530333 431847896 /nfs/dbraw/zinc/84/78/96/431847896.db2.gz SGJBLJQBDGOGHY-JZXOWHBKSA-N 1 1 303.446 3.133 40 30 DGEBMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccc(C)o1)C2 ZINC000096050003 431934887 /nfs/dbraw/zinc/93/48/87/431934887.db2.gz QHJXKBOTCFSNHB-GOSISDBHSA-N 1 1 302.418 3.121 40 30 DGEBMO C=CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccoc1)[C@H]2CC ZINC000096038513 431935146 /nfs/dbraw/zinc/93/51/46/431935146.db2.gz RTGVAEDRXFBMKK-WMZOPIPTSA-N 1 1 302.418 3.201 40 30 DGEBMO C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1ccc(F)cc1 ZINC000096055244 431936586 /nfs/dbraw/zinc/93/65/86/431936586.db2.gz NRPRCRHJOZGKPX-RYQLBKOJSA-N 1 1 305.393 3.008 40 30 DGEBMO C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1ccc(F)cc1 ZINC000096055244 431936589 /nfs/dbraw/zinc/93/65/89/431936589.db2.gz NRPRCRHJOZGKPX-RYQLBKOJSA-N 1 1 305.393 3.008 40 30 DGEBMO C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1ccc(F)cc1 ZINC000096055242 431936631 /nfs/dbraw/zinc/93/66/31/431936631.db2.gz NRPRCRHJOZGKPX-CGTJXYLNSA-N 1 1 305.393 3.008 40 30 DGEBMO C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1ccc(F)cc1 ZINC000096055242 431936632 /nfs/dbraw/zinc/93/66/32/431936632.db2.gz NRPRCRHJOZGKPX-CGTJXYLNSA-N 1 1 305.393 3.008 40 30 DGEBMO COC(=O)c1ccc(Nc2cc[nH+]c3ccc(C#N)cc23)cc1 ZINC001740818986 1203279760 /nfs/dbraw/zinc/27/97/60/1203279760.db2.gz NBXLBWWGPFTRAZ-UHFFFAOYSA-N 1 1 303.321 3.059 40 30 DGEBMO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccsc1)C2 ZINC000096056885 431936426 /nfs/dbraw/zinc/93/64/26/431936426.db2.gz FUPRJKLIKGQBKZ-IRXDYDNUSA-N 1 1 307.459 3.322 40 30 DGEBMO C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1ccc(C)s1 ZINC000107747209 432039448 /nfs/dbraw/zinc/03/94/48/432039448.db2.gz VLFOQSZKAHBOAN-USXIJHARSA-N 1 1 307.459 3.239 40 30 DGEBMO C[C@@H]1CCCC[N@H+]1CCCOc1cc([N+](=O)[O-])ccc1C#N ZINC000004768939 181149523 /nfs/dbraw/zinc/14/95/23/181149523.db2.gz BIFOCDVXNPGDQP-CYBMUJFWSA-N 1 1 303.362 3.110 40 30 DGEBMO O/N=C(\C[C@H](c1ccccc1)[NH+]1CCOCC1)c1ccccc1 ZINC000006575556 181356214 /nfs/dbraw/zinc/35/62/14/181356214.db2.gz CLBRIJPWPBXYOT-LFVOPCPISA-N 1 1 310.397 3.329 40 30 DGEBMO CC(/C=C\c1ccc(N(C)C)cc1)=[NH+]\NC(=S)NCC(C)C ZINC000017314198 182083147 /nfs/dbraw/zinc/08/31/47/182083147.db2.gz MTQDXMTUELVTJC-OSCPKGOJSA-N 1 1 318.490 3.262 40 30 DGEBMO COc1cccc(C[N@@H+](CC2(C#N)CC2)C2CCC(O)CC2)c1 ZINC000611430293 400399747 /nfs/dbraw/zinc/39/97/47/400399747.db2.gz RBSOQUTWCVINCX-UHFFFAOYSA-N 1 1 314.429 3.104 40 30 DGEBMO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1csc(C)n1)C2 ZINC000096039606 431935454 /nfs/dbraw/zinc/93/54/54/431935454.db2.gz PVCLIQFSKOWKLJ-IAGOWNOFSA-N 1 1 322.474 3.025 40 30 DGEBMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](Cc1csc(C)n1)C2 ZINC000096039606 431935457 /nfs/dbraw/zinc/93/54/57/431935457.db2.gz PVCLIQFSKOWKLJ-IAGOWNOFSA-N 1 1 322.474 3.025 40 30 DGEBMO C=CCOC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccc(C)s2)C1 ZINC000096059226 431936250 /nfs/dbraw/zinc/93/62/50/431936250.db2.gz SJVKJJGQENKNMD-HNNXBMFYSA-N 1 1 317.458 3.088 40 30 DGEBMO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccsc1)C2 ZINC000096056884 431936883 /nfs/dbraw/zinc/93/68/83/431936883.db2.gz FUPRJKLIKGQBKZ-IAGOWNOFSA-N 1 1 307.459 3.322 40 30 DGEBMO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccsc1)CCO2 ZINC000096051883 431937411 /nfs/dbraw/zinc/93/74/11/431937411.db2.gz ADQVQLBTWPLSHZ-DLBZAZTESA-N 1 1 307.459 3.322 40 30 DGEBMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccsc1)CCO2 ZINC000096051883 431937413 /nfs/dbraw/zinc/93/74/13/431937413.db2.gz ADQVQLBTWPLSHZ-DLBZAZTESA-N 1 1 307.459 3.322 40 30 DGEBMO C#C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C#C)N1Cc1ccccc1 ZINC000019690816 182136474 /nfs/dbraw/zinc/13/64/74/182136474.db2.gz ZTFOEIQRDUQSCM-VXKWHMMOSA-N 1 1 314.432 3.008 40 30 DGEBMO CCN1c2cc(C)c(/C=[NH+]/NC(N)=S)cc2C(C)=CC1(C)C ZINC000208514903 276254357 /nfs/dbraw/zinc/25/43/57/276254357.db2.gz IZMHRAFGHHRZSR-VXLYETTFSA-N 1 1 316.474 3.184 40 30 DGEBMO C=CCO[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc2ccccc2n1 ZINC000096042042 431935170 /nfs/dbraw/zinc/93/51/70/431935170.db2.gz UNJNNEAMONPGBJ-SLFFLAALSA-N 1 1 324.424 3.169 40 30 DGEBMO C=CCO[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccc2ccccc2n1 ZINC000096042042 431935173 /nfs/dbraw/zinc/93/51/73/431935173.db2.gz UNJNNEAMONPGBJ-SLFFLAALSA-N 1 1 324.424 3.169 40 30 DGEBMO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(F)cc1)CCO2 ZINC000096051888 431937082 /nfs/dbraw/zinc/93/70/82/431937082.db2.gz GAXSBKUILUHXBP-PKOBYXMFSA-N 1 1 319.420 3.399 40 30 DGEBMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(F)cc1)CCO2 ZINC000096051888 431937084 /nfs/dbraw/zinc/93/70/84/431937084.db2.gz GAXSBKUILUHXBP-PKOBYXMFSA-N 1 1 319.420 3.399 40 30 DGEBMO C=CCOC[C@@H]1C[C@H]2OCC[N@@H+](Cc3ccc(F)cc3)[C@@H]2C1 ZINC000096250424 431943953 /nfs/dbraw/zinc/94/39/53/431943953.db2.gz BOJGAKMHKLZJOQ-CGTJXYLNSA-N 1 1 305.393 3.008 40 30 DGEBMO C=CCOC[C@@H]1C[C@H]2OCC[N@H+](Cc3ccc(F)cc3)[C@@H]2C1 ZINC000096250424 431943955 /nfs/dbraw/zinc/94/39/55/431943955.db2.gz BOJGAKMHKLZJOQ-CGTJXYLNSA-N 1 1 305.393 3.008 40 30 DGEBMO N#Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000050027023 431945301 /nfs/dbraw/zinc/94/53/01/431945301.db2.gz XFEVGKGAHCFCKX-GOSISDBHSA-N 1 1 319.408 3.409 40 30 DGEBMO [NH2+]=C(Cc1ccccc1)NOC(=O)Nc1ccc(Cl)cc1 ZINC000004902946 526815137 /nfs/dbraw/zinc/81/51/37/526815137.db2.gz AVRUEBZIXKFVJD-UHFFFAOYSA-N 1 1 303.749 3.403 40 30 DGEBMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000107730534 432039586 /nfs/dbraw/zinc/03/95/86/432039586.db2.gz MBNSOHNQAKKGER-RTBURBONSA-N 1 1 317.429 3.021 40 30 DGEBMO N#Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000004882555 181167699 /nfs/dbraw/zinc/16/76/99/181167699.db2.gz JHJBZXQUIXRCFI-ZNXRZULTSA-N 1 1 324.428 3.228 40 30 DGEBMO NC(=[NH2+])NN=C(N=Nc1ccccc1)c1ccc(Cl)cc1 ZINC000005014610 181191322 /nfs/dbraw/zinc/19/13/22/181191322.db2.gz JFIGKXRBONWCTJ-QVWAGBMLSA-N 1 1 300.753 3.269 40 30 DGEBMO C#CCC[NH+]1CCN(CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000022917307 182341178 /nfs/dbraw/zinc/34/11/78/182341178.db2.gz PPHHSFOLOFAMAD-UHFFFAOYSA-N 1 1 302.849 3.013 40 30 DGEBMO C=CCC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC1=O ZINC000005385148 431308469 /nfs/dbraw/zinc/30/84/69/431308469.db2.gz TUMMFTBRTOFPNA-GDBMZVCRSA-N 1 1 315.413 3.158 40 30 DGEBMO C=CCC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC1=O ZINC000005385148 431308473 /nfs/dbraw/zinc/30/84/73/431308473.db2.gz TUMMFTBRTOFPNA-GDBMZVCRSA-N 1 1 315.413 3.158 40 30 DGEBMO C[N@H+]1CC[C@@H]2C3=C(CC(C)(C)CC3=O)N(Cc3ccccc3)[C@@H]2C1 ZINC000013407369 431554954 /nfs/dbraw/zinc/55/49/54/431554954.db2.gz FSJFZMHXOCVSDB-FUHWJXTLSA-N 1 1 324.468 3.466 40 30 DGEBMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccsc1)C2 ZINC000096056883 431937162 /nfs/dbraw/zinc/93/71/62/431937162.db2.gz FUPRJKLIKGQBKZ-SJORKVTESA-N 1 1 307.459 3.322 40 30 DGEBMO C#CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000248001957 432261159 /nfs/dbraw/zinc/26/11/59/432261159.db2.gz OCLVGDHKPYKYSJ-SFTDATJTSA-N 1 1 304.437 3.268 40 30 DGEBMO CSC(=N/N=C\c1c(F)cccc1Cl)/[NH+]=C\N(C)C ZINC000104244961 432015310 /nfs/dbraw/zinc/01/53/10/432015310.db2.gz LDGWMPWHYWHBNU-VIIISQLDSA-N 1 1 300.790 3.122 40 30 DGEBMO C=CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccc(F)cc1 ZINC000253374821 186301732 /nfs/dbraw/zinc/30/17/32/186301732.db2.gz NRPRCRHJOZGKPX-SZMVWBNQSA-N 1 1 305.393 3.008 40 30 DGEBMO C=CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc(F)cc1 ZINC000253374821 186301734 /nfs/dbraw/zinc/30/17/34/186301734.db2.gz NRPRCRHJOZGKPX-SZMVWBNQSA-N 1 1 305.393 3.008 40 30 DGEBMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1csc(C)n1)C2 ZINC000107711640 432036894 /nfs/dbraw/zinc/03/68/94/432036894.db2.gz PVCLIQFSKOWKLJ-SJORKVTESA-N 1 1 322.474 3.025 40 30 DGEBMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](Cc1csc(C)n1)C2 ZINC000107711640 432036896 /nfs/dbraw/zinc/03/68/96/432036896.db2.gz PVCLIQFSKOWKLJ-SJORKVTESA-N 1 1 322.474 3.025 40 30 DGEBMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](Cc1scnc1C)C2 ZINC000107711778 432038040 /nfs/dbraw/zinc/03/80/40/432038040.db2.gz UTMGNIZNOGDLJL-IRXDYDNUSA-N 1 1 322.474 3.025 40 30 DGEBMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(C)s1)C2 ZINC000107730519 432039467 /nfs/dbraw/zinc/03/94/67/432039467.db2.gz LRVZGSURESJMEM-NVXWUHKLSA-N 1 1 307.459 3.383 40 30 DGEBMO C[N@H+]1CCc2nc(Cl)c(C#N)c(-c3cccc(F)c3)c2C1 ZINC000096511135 283175340 /nfs/dbraw/zinc/17/53/40/283175340.db2.gz YQWDSEMMWZBIKO-UHFFFAOYSA-N 1 1 301.752 3.401 40 30 DGEBMO O=[N+]([O-])c1ccc(/C=N/C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000036507574 400390761 /nfs/dbraw/zinc/39/07/61/400390761.db2.gz VCXCNOFLXXFITD-HOKSHQMQSA-N 1 1 301.390 3.278 40 30 DGEBMO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccc(C)o1)CCO2 ZINC000096051886 431936648 /nfs/dbraw/zinc/93/66/48/431936648.db2.gz XIDSNEVAINNFGE-FUHWJXTLSA-N 1 1 305.418 3.162 40 30 DGEBMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccc(C)o1)CCO2 ZINC000096051886 431936649 /nfs/dbraw/zinc/93/66/49/431936649.db2.gz XIDSNEVAINNFGE-FUHWJXTLSA-N 1 1 305.418 3.162 40 30 DGEBMO C[NH+](C)c1c(N)cc(C#N)n1Cc1ccc(Cl)cc1Cl ZINC000225863651 432700989 /nfs/dbraw/zinc/70/09/89/432700989.db2.gz HBLQLSJLFNEKRC-UHFFFAOYSA-N 1 1 309.200 3.363 40 30 DGEBMO