smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCOCC(F)(F)C[NH2+]C1CC1 ZINC000685955630 538901440 /nfs/dbraw/zinc/90/14/40/538901440.db2.gz LXUKQHXUPAELAX-UHFFFAOYSA-N 1 1 205.248 1.966 10 30 BDEEMO N#Cc1cccc([C@H]2CC[N@H+](CCO)C2)c1 ZINC000616612977 349590484 /nfs/dbraw/zinc/59/04/84/349590484.db2.gz FJKNMPOAKRHNNE-ZDUSSCGKSA-N 1 1 216.284 1.340 10 30 BDEEMO CCNC(=[NH+]N)c1cc2c(s1)CCC2 ZINC000042035562 361926598 /nfs/dbraw/zinc/92/65/98/361926598.db2.gz BKUWKTBHEQTKQS-UHFFFAOYSA-N 1 1 209.318 1.467 10 30 BDEEMO CN(C)c1ccc(/C=C/C=[NH+]/NC(N)=S)cc1 ZINC000138696811 342994777 /nfs/dbraw/zinc/99/47/77/342994777.db2.gz CCICSFLTTZEHCV-LDKZCNOQSA-N 1 1 248.355 1.585 10 30 BDEEMO C[C@@H]1C[N@@H+](C(C)(C)C=O)C[C@H](C)S1 ZINC000306669977 362032595 /nfs/dbraw/zinc/03/25/95/362032595.db2.gz BXVLIFYIAHMKQT-DTORHVGOSA-N 1 1 201.335 1.790 10 30 BDEEMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CC(C)(C)C#N ZINC000335721307 136345714 /nfs/dbraw/zinc/34/57/14/136345714.db2.gz CCZIUTBKMJEVBT-WDEREUQCSA-N 1 1 237.347 1.477 10 30 BDEEMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C1(C#N)CCC1 ZINC000083798238 343672093 /nfs/dbraw/zinc/67/20/93/343672093.db2.gz UQPVCCLVRGRWEG-LLVKDONJSA-N 1 1 235.331 1.090 10 30 BDEEMO CC(C)[N@@H+](C)CCOc1cccc(C#CCO)c1 ZINC000049616518 187357895 /nfs/dbraw/zinc/35/78/95/187357895.db2.gz SFPVRPVLVAMGQR-UHFFFAOYSA-N 1 1 247.338 1.749 10 30 BDEEMO CC#CCN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000126260923 344172686 /nfs/dbraw/zinc/17/26/86/344172686.db2.gz ZEHCVNWQURHHJP-STQMWFEESA-N 1 1 206.333 1.568 10 30 BDEEMO CC#CC[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000126260923 344172688 /nfs/dbraw/zinc/17/26/88/344172688.db2.gz ZEHCVNWQURHHJP-STQMWFEESA-N 1 1 206.333 1.568 10 30 BDEEMO CC#CC[N@H+]1C[C@@H]2CCCCN2C[C@@H]1C ZINC000126260923 344172691 /nfs/dbraw/zinc/17/26/91/344172691.db2.gz ZEHCVNWQURHHJP-STQMWFEESA-N 1 1 206.333 1.568 10 30 BDEEMO CC[N@H+]1CC[C@H](Nc2nc(C)cc(C#N)n2)C1 ZINC000389360906 344495747 /nfs/dbraw/zinc/49/57/47/344495747.db2.gz XHQMBFQSUCJRRG-JTQLQIEISA-N 1 1 231.303 1.163 10 30 BDEEMO CC[N@@H+]1CCO[C@H](CNc2ncccc2C#N)C1 ZINC000158614143 344696400 /nfs/dbraw/zinc/69/64/00/344696400.db2.gz UOLOZQGPZMUEAJ-GFCCVEGCSA-N 1 1 246.314 1.086 10 30 BDEEMO CC[N@H+]1CCO[C@H](CNc2ncccc2C#N)C1 ZINC000158614143 344696401 /nfs/dbraw/zinc/69/64/01/344696401.db2.gz UOLOZQGPZMUEAJ-GFCCVEGCSA-N 1 1 246.314 1.086 10 30 BDEEMO C=C(C)C[C@@H](C)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000248603865 345431337 /nfs/dbraw/zinc/43/13/37/345431337.db2.gz BPZWQLRSRBGXPJ-OLZOCXBDSA-N 1 1 236.359 1.895 10 30 BDEEMO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000037980991 187318004 /nfs/dbraw/zinc/31/80/04/187318004.db2.gz RUKNAAZTIPDSCC-MNOVXSKESA-N 1 1 234.299 1.377 10 30 BDEEMO N[NH+]=C(N)Nc1ccc(Br)cc1F ZINC000164581963 346610838 /nfs/dbraw/zinc/61/08/38/346610838.db2.gz SQIOQJFEYRFKFC-UHFFFAOYSA-N 1 1 247.071 1.189 10 30 BDEEMO N#Cc1cccnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000252673231 346738198 /nfs/dbraw/zinc/73/81/98/346738198.db2.gz HPAFFMXDISUDJB-ZDUSSCGKSA-N 1 1 242.326 1.628 10 30 BDEEMO C=CCC[N@@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190803016 347335896 /nfs/dbraw/zinc/33/58/96/347335896.db2.gz JWULDFHOVBCROP-CYBMUJFWSA-N 1 1 235.331 1.852 10 30 BDEEMO C=CCC[N@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000190803016 347335899 /nfs/dbraw/zinc/33/58/99/347335899.db2.gz JWULDFHOVBCROP-CYBMUJFWSA-N 1 1 235.331 1.852 10 30 BDEEMO C[C@@H](CCC#N)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000593014332 347844659 /nfs/dbraw/zinc/84/46/59/347844659.db2.gz IPDPAXXBILPXPM-STQMWFEESA-N 1 1 237.347 1.085 10 30 BDEEMO CC#CC[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000119108423 348200147 /nfs/dbraw/zinc/20/01/47/348200147.db2.gz LLGWERHINXWCAQ-ZDUSSCGKSA-N 1 1 244.342 1.401 10 30 BDEEMO CN1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)C1=O ZINC000595688239 348314014 /nfs/dbraw/zinc/31/40/14/348314014.db2.gz DBJLSGNPBVMPEF-TUAOUCFPSA-N 1 1 235.331 1.279 10 30 BDEEMO C[C@H](CS)C[N@H+]1CCSC[C@@H]1C ZINC000227249307 350490297 /nfs/dbraw/zinc/49/02/97/350490297.db2.gz JZNYETXQUHAODJ-IUCAKERBSA-N 1 1 205.392 1.990 10 30 BDEEMO N#CCCCC[N@H+]1CCn2ccnc2C1 ZINC000061559672 350515774 /nfs/dbraw/zinc/51/57/74/350515774.db2.gz RXIBWMUHAASAQV-UHFFFAOYSA-N 1 1 204.277 1.393 10 30 BDEEMO Cn1cncc1C[NH2+][C@H]1CCCC[C@H]1C#N ZINC000388392566 350582873 /nfs/dbraw/zinc/58/28/73/350582873.db2.gz DEXLMFDBTNGZHY-JQWIXIFHSA-N 1 1 218.304 1.592 10 30 BDEEMO CC[N@H+]1CC[C@H](NC(=O)C2(C#N)CCCCC2)C1 ZINC000334576735 350694772 /nfs/dbraw/zinc/69/47/72/350694772.db2.gz CJUYYWSDQFUVAI-LBPRGKRZSA-N 1 1 249.358 1.671 10 30 BDEEMO O[C@@H]1CC[C@@H]2C[N@@H+](CCS)C[C@H]2C1 ZINC000306691443 350845665 /nfs/dbraw/zinc/84/56/65/350845665.db2.gz QFXCVAQHVIUXAE-OPRDCNLKSA-N 1 1 201.335 1.009 10 30 BDEEMO CC[N@H+]1CCN[C@@H](c2ccccc2C#N)C1 ZINC000616632500 351112958 /nfs/dbraw/zinc/11/29/58/351112958.db2.gz SABOMHRBNGZDMR-CYBMUJFWSA-N 1 1 215.300 1.524 10 30 BDEEMO N#Cc1cccc([C@@H]2CC[N@@H+](CCO)CCO2)c1 ZINC000616665459 351222715 /nfs/dbraw/zinc/22/27/15/351222715.db2.gz JXOPEDXEDCWGHI-AWEZNQCLSA-N 1 1 246.310 1.314 10 30 BDEEMO CCNC(=[NH+]N)c1csc(Cl)c1 ZINC000306951069 351378426 /nfs/dbraw/zinc/37/84/26/351378426.db2.gz GFOODOTZDAKDCO-UHFFFAOYSA-N 1 1 203.698 1.631 10 30 BDEEMO CC1(C)C[N@@H+](CCS)[C@@H]2COC[C@H]21 ZINC000307017817 351423801 /nfs/dbraw/zinc/42/38/01/351423801.db2.gz WLZMQKXEMUBGAG-RKDXNWHRSA-N 1 1 201.335 1.273 10 30 BDEEMO C=CCCC(C)(C)CNC(=O)[C@H]1COCC[NH2+]1 ZINC000638876435 353042401 /nfs/dbraw/zinc/04/24/01/353042401.db2.gz ZNRVBBUCQMQSTI-LLVKDONJSA-N 1 1 240.347 1.083 10 30 BDEEMO CC#CCC[N@@H+]1CCC[C@]1(C)C(=O)OC ZINC000186392409 353868279 /nfs/dbraw/zinc/86/82/79/353868279.db2.gz JYAADYHWKXNIIY-GFCCVEGCSA-N 1 1 209.289 1.427 10 30 BDEEMO N/C(NCCc1ccc(Cl)cc1)=[NH+]\O ZINC000052834191 181181686 /nfs/dbraw/zinc/18/16/86/181181686.db2.gz NEZOOWRIYZWICE-UHFFFAOYSA-N 1 1 213.668 1.176 10 30 BDEEMO CC[N@H+]1CCC[C@@H]1CN(C)c1ccncc1C#N ZINC000399374764 356477851 /nfs/dbraw/zinc/47/78/51/356477851.db2.gz AVGPXEYLJYLPDM-CYBMUJFWSA-N 1 1 244.342 1.874 10 30 BDEEMO CN(C)[C@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000088259512 356645075 /nfs/dbraw/zinc/64/50/75/356645075.db2.gz FVGLGFSXWPLKPS-NSHDSACASA-N 1 1 207.321 1.316 10 30 BDEEMO CN(C)[C@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000088259512 356645077 /nfs/dbraw/zinc/64/50/77/356645077.db2.gz FVGLGFSXWPLKPS-NSHDSACASA-N 1 1 207.321 1.316 10 30 BDEEMO CC1CC[NH+](Cc2nn(C)cc2CC#N)CC1 ZINC000675056471 538478378 /nfs/dbraw/zinc/47/83/78/538478378.db2.gz QXALNABBQWMBMD-UHFFFAOYSA-N 1 1 232.331 1.718 10 30 BDEEMO C=C(C)C[N@H+](CC)[C@@H]1CCCCNC1=O ZINC000193119328 357861302 /nfs/dbraw/zinc/86/13/02/357861302.db2.gz KIPNWHIZTSNBFP-LLVKDONJSA-N 1 1 210.321 1.553 10 30 BDEEMO N#CCSCCCN1CC[N@H+]2CCC[C@H]2C1 ZINC000173888801 134278394 /nfs/dbraw/zinc/27/83/94/134278394.db2.gz LHEJBEWEBDICGZ-LBPRGKRZSA-N 1 1 239.388 1.413 10 30 BDEEMO C[C@@H]1C[N@H+](CCC(C)(C)C#N)C[C@@H]1N(C)C ZINC000124155593 358513945 /nfs/dbraw/zinc/51/39/45/358513945.db2.gz UUFDFYVIGPPLEC-NEPJUHHUSA-N 1 1 223.364 1.808 10 30 BDEEMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)C[C@@H]1N(C)C ZINC000124155593 358513949 /nfs/dbraw/zinc/51/39/49/358513949.db2.gz UUFDFYVIGPPLEC-NEPJUHHUSA-N 1 1 223.364 1.808 10 30 BDEEMO N#Cc1cc(C[N@H+]2C[C@H]3CCC[C@@H]32)ccn1 ZINC000610994834 358423584 /nfs/dbraw/zinc/42/35/84/358423584.db2.gz NWIPEWZHNWSHPI-YPMHNXCESA-N 1 1 213.284 1.938 10 30 BDEEMO C#CC[C@@H]([NH3+])c1nc(C(F)(F)F)no1 ZINC000130264437 358994785 /nfs/dbraw/zinc/99/47/85/358994785.db2.gz OCGSXNSOAJDMRK-SCSAIBSYSA-N 1 1 205.139 1.112 10 30 BDEEMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246548324 359145698 /nfs/dbraw/zinc/14/56/98/359145698.db2.gz TYPLBJMMKPVTOO-CHWSQXEVSA-N 1 1 224.348 1.215 10 30 BDEEMO C=C(Cl)CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247463207 359222675 /nfs/dbraw/zinc/22/26/75/359222675.db2.gz RAMNDJLSLMMNLA-MNOVXSKESA-N 1 1 214.740 1.907 10 30 BDEEMO C=CCSc1nc(NN)[nH+]cc1Cl ZINC000306413399 359823999 /nfs/dbraw/zinc/82/39/99/359823999.db2.gz MVIHYCHSNNGMSE-UHFFFAOYSA-N 1 1 216.697 1.694 10 30 BDEEMO C[C@H](CS)C[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000306557208 360430222 /nfs/dbraw/zinc/43/02/22/360430222.db2.gz NOTASFJJNYPKQC-AEJSXWLSSA-N 1 1 203.351 1.662 10 30 BDEEMO C[C@@H]1C[C@H](O)C[N@H+]1CC1(CS)CC1 ZINC000306624928 361285142 /nfs/dbraw/zinc/28/51/42/361285142.db2.gz GFAUDUIMUXIDAP-BDAKNGLRSA-N 1 1 201.335 1.152 10 30 BDEEMO C=C(Br)CNc1nc(N)cc[nH+]1 ZINC000161661690 370869811 /nfs/dbraw/zinc/86/98/11/370869811.db2.gz TXHWWEDTTJEWTQ-UHFFFAOYSA-N 1 1 229.081 1.379 10 30 BDEEMO Cc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1C#N ZINC000601326240 369621098 /nfs/dbraw/zinc/62/10/98/369621098.db2.gz KWXNJMYJWXQOTP-WFASDCNBSA-N 1 1 243.354 1.893 10 30 BDEEMO Cc1ccc(CN2C[C@H](C)[C@@H](C[NH3+])C2)cc1C#N ZINC000601326240 369621104 /nfs/dbraw/zinc/62/11/04/369621104.db2.gz KWXNJMYJWXQOTP-WFASDCNBSA-N 1 1 243.354 1.893 10 30 BDEEMO CC(C)(C#N)/[N+](O)=C/c1cccc([N+](=O)[O-])c1 ZINC000225408267 370551006 /nfs/dbraw/zinc/55/10/06/370551006.db2.gz SRXXMRYUYMOZSP-QPEQYQDCSA-N 1 1 234.235 1.718 10 30 BDEEMO COC(=O)[C@@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000157173111 371532252 /nfs/dbraw/zinc/53/22/52/371532252.db2.gz ZRGHZYKNQSRXRF-LLVKDONJSA-N 1 1 236.315 1.565 10 30 BDEEMO C#CC[C@H]([NH3+])C(=O)c1c(F)cccc1F ZINC000226827814 371749676 /nfs/dbraw/zinc/74/96/76/371749676.db2.gz JUCCCLLTUBNFAU-VIFPVBQESA-N 1 1 209.195 1.498 10 30 BDEEMO O=C[C@@H]1CCCC[N@@H+]1[C@@H]1CCCC[C@@H]1O ZINC000227223733 371805915 /nfs/dbraw/zinc/80/59/15/371805915.db2.gz IFYQILGSUMGCNU-TUAOUCFPSA-N 1 1 211.305 1.343 10 30 BDEEMO CC1(C)C[N@@H+](CC2(CS)CC2)C[C@H]1O ZINC000306860674 372073201 /nfs/dbraw/zinc/07/32/01/372073201.db2.gz DVQXTWPAQGLDML-SECBINFHSA-N 1 1 215.362 1.399 10 30 BDEEMO CCCO[C@@H]1CCC[N@@H+](C[C@@H](C)/C(N)=N/O)C1 ZINC000042422563 169311515 /nfs/dbraw/zinc/31/15/15/169311515.db2.gz BJSFFKQYLZALBN-GHMZBOCLSA-N 1 1 243.351 1.260 10 30 BDEEMO N#Cc1ccc(CN2CCC[N@H+](C3CC3)CC2)o1 ZINC000179729855 134320141 /nfs/dbraw/zinc/32/01/41/134320141.db2.gz DKFZOLOPYOTOHD-UHFFFAOYSA-N 1 1 245.326 1.821 10 30 BDEEMO C[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000334825905 383958204 /nfs/dbraw/zinc/95/82/04/383958204.db2.gz HPAREDKIGWWNSQ-ZWNOBZJWSA-N 1 1 248.301 1.900 10 30 BDEEMO N#Cc1ccncc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000135615141 384201792 /nfs/dbraw/zinc/20/17/92/384201792.db2.gz BGHPECJUNTYUPG-GFCCVEGCSA-N 1 1 228.299 1.238 10 30 BDEEMO C[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000335591286 384310956 /nfs/dbraw/zinc/31/09/56/384310956.db2.gz SAVJQXJLJIUSAL-GWCFXTLKSA-N 1 1 248.301 1.900 10 30 BDEEMO C[C@H]1C[C@H](O)C[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000335586402 384312496 /nfs/dbraw/zinc/31/24/96/384312496.db2.gz NZFVVNHXRUKPLL-HZMBPMFUSA-N 1 1 248.301 1.900 10 30 BDEEMO C[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000335586402 384312500 /nfs/dbraw/zinc/31/25/00/384312500.db2.gz NZFVVNHXRUKPLL-HZMBPMFUSA-N 1 1 248.301 1.900 10 30 BDEEMO CO[C@H]1C[C@H](CO)[N@@H+](CCC(C)(C)C#N)C1 ZINC000309786459 384608908 /nfs/dbraw/zinc/60/89/08/384608908.db2.gz SRUNWICONWDWFE-MNOVXSKESA-N 1 1 226.320 1.008 10 30 BDEEMO C=CC[N@@H+]1CCC[C@H](NC(=O)CCC)C1 ZINC000101563789 384794901 /nfs/dbraw/zinc/79/49/01/384794901.db2.gz PEXACBMVBXICFN-NSHDSACASA-N 1 1 210.321 1.553 10 30 BDEEMO Cc1cnn(C)c1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000309860811 384879684 /nfs/dbraw/zinc/87/96/84/384879684.db2.gz MMGHOQDWGKVUOU-GHMZBOCLSA-N 1 1 218.304 1.510 10 30 BDEEMO N#CCCCC[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000105899225 384886081 /nfs/dbraw/zinc/88/60/81/384886081.db2.gz JYUBWXZEFHEMGS-LBPRGKRZSA-N 1 1 233.319 1.609 10 30 BDEEMO NC(=NO)[C@H]1CCCC[N@H+]1CCCCF ZINC000308785852 385102360 /nfs/dbraw/zinc/10/23/60/385102360.db2.gz FLWOQMLFWXZNPU-SECBINFHSA-N 1 1 217.288 1.337 10 30 BDEEMO C#CC[N@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105802961 533112063 /nfs/dbraw/zinc/11/20/63/533112063.db2.gz FBGROWWSYNQDRQ-GFCCVEGCSA-N 1 1 230.315 1.010 10 30 BDEEMO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ncc(C)o1 ZINC000309526065 385660745 /nfs/dbraw/zinc/66/07/45/385660745.db2.gz COKAYKOFEMFOGU-WDEREUQCSA-N 1 1 224.304 1.961 10 30 BDEEMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253100352 533154578 /nfs/dbraw/zinc/15/45/78/533154578.db2.gz WIFNNHBCIIPOBH-JHJVBQTASA-N 1 1 207.317 1.635 10 30 BDEEMO C[C@H](CCC#N)[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000425528353 386318730 /nfs/dbraw/zinc/31/87/30/386318730.db2.gz QJVCXKISLGAAPJ-YVECIDJPSA-N 1 1 222.332 1.771 10 30 BDEEMO CC[C@@H](C#N)NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000408367929 386393224 /nfs/dbraw/zinc/39/32/24/386393224.db2.gz ZTEPJUHNLGRTCU-GXSJLCMTSA-N 1 1 221.304 1.032 10 30 BDEEMO C[C@@H]1CC[C@](C#N)(NC(=O)OC(C)(C)C)C[NH2+]1 ZINC000575495873 387311000 /nfs/dbraw/zinc/31/10/00/387311000.db2.gz ASNNDBSZOAZLPY-BXKDBHETSA-N 1 1 239.319 1.545 10 30 BDEEMO C#CCCCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000245569236 387962000 /nfs/dbraw/zinc/96/20/00/387962000.db2.gz ALERZCZUHKSROL-KGLIPLIRSA-N 1 1 248.370 1.875 10 30 BDEEMO C[C@@H]1C[NH2+]C[C@](C#N)(NC(=O)OC(C)(C)C)C1 ZINC000575496656 388972442 /nfs/dbraw/zinc/97/24/42/388972442.db2.gz NNDNMTPDJNBVAA-CABZTGNLSA-N 1 1 239.319 1.403 10 30 BDEEMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC(C)(C#N)C1 ZINC000336311449 134142964 /nfs/dbraw/zinc/14/29/64/134142964.db2.gz MZKWHVYSJQDYJU-LBPRGKRZSA-N 1 1 249.358 1.621 10 30 BDEEMO C[C@H](O)C1CC[NH+](CC2(C#N)CC2)CC1 ZINC000336386385 134145822 /nfs/dbraw/zinc/14/58/22/134145822.db2.gz CQPVWGMYGKQETB-JTQLQIEISA-N 1 1 208.305 1.383 10 30 BDEEMO CN(CCC#N)C(=O)CC[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000357002021 134181804 /nfs/dbraw/zinc/18/18/04/134181804.db2.gz GOKGCRVMZDJKHW-NWDGAFQWSA-N 1 1 235.331 1.233 10 30 BDEEMO C[C@@H](C#N)N1CCC[N@H+](C2CCCC2)CC1 ZINC000181902152 134340774 /nfs/dbraw/zinc/34/07/74/134340774.db2.gz REOOFAJJDUSJHI-LBPRGKRZSA-N 1 1 221.348 1.849 10 30 BDEEMO C#CCC[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000227370638 134378405 /nfs/dbraw/zinc/37/84/05/134378405.db2.gz YZEKQSIHUYQXEP-QWHCGFSZSA-N 1 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N/C(=N\O)[C@H]1CCCC[N@H+]1CCCCCF ZINC000304449540 358437315 /nfs/dbraw/zinc/43/73/15/358437315.db2.gz XGUHTTAVSIXZJK-SNVBAGLBSA-N 1 1 231.315 1.727 10 30 BDEEMO CC(C)(C)OCC[N@@H+]1CCCC[C@@H]1/C(N)=N/O ZINC000133094877 358744905 /nfs/dbraw/zinc/74/49/05/358744905.db2.gz SHCLZVRJACNKRR-SNVBAGLBSA-N 1 1 243.351 1.402 10 30 BDEEMO CC(C)(C)OCC[N@H+]1CCCC[C@@H]1/C(N)=N/O ZINC000133094877 358744910 /nfs/dbraw/zinc/74/49/10/358744910.db2.gz SHCLZVRJACNKRR-SNVBAGLBSA-N 1 1 243.351 1.402 10 30 BDEEMO N#CCCCC[N@H+]1CCCN(C2CC2)CC1 ZINC000069607507 359029407 /nfs/dbraw/zinc/02/94/07/359029407.db2.gz QXHYZBWTUJNUFE-UHFFFAOYSA-N 1 1 221.348 1.850 10 30 BDEEMO N#CCCCCN1CCC[N@@H+](C2CC2)CC1 ZINC000069607507 359029411 /nfs/dbraw/zinc/02/94/11/359029411.db2.gz QXHYZBWTUJNUFE-UHFFFAOYSA-N 1 1 221.348 1.850 10 30 BDEEMO N#CCCCCN1CCC[N@H+](C2CC2)CC1 ZINC000069607507 359029414 /nfs/dbraw/zinc/02/94/14/359029414.db2.gz QXHYZBWTUJNUFE-UHFFFAOYSA-N 1 1 221.348 1.850 10 30 BDEEMO C=CC[C@@H](C)NC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000247059082 359191210 /nfs/dbraw/zinc/19/12/10/359191210.db2.gz JZCGPYJWWDBAIR-VXGBXAGGSA-N 1 1 239.363 1.735 10 30 BDEEMO C=CCCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246802043 359166124 /nfs/dbraw/zinc/16/61/24/359166124.db2.gz BVJAOCJZYDAZGT-NEPJUHHUSA-N 1 1 222.332 1.648 10 30 BDEEMO C#CCOc1cccc(C[NH2+]CCCN(C)C)c1 ZINC000045946488 359745647 /nfs/dbraw/zinc/74/56/47/359745647.db2.gz SOKWVEGSBLUHKF-UHFFFAOYSA-N 1 1 246.354 1.740 10 30 BDEEMO C=CCN(CCO)c1cc(C)[nH+]c(C)n1 ZINC000158671429 361208517 /nfs/dbraw/zinc/20/85/17/361208517.db2.gz ICALXESPFZCIIH-UHFFFAOYSA-N 1 1 207.277 1.078 10 30 BDEEMO C=CCCC[N@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000404079314 369418532 /nfs/dbraw/zinc/41/85/32/369418532.db2.gz OTHUZUCDTGCGSU-RYUDHWBXSA-N 1 1 210.321 1.015 10 30 BDEEMO CC[C@H](C#N)C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000251241576 369745042 /nfs/dbraw/zinc/74/50/42/369745042.db2.gz SWPPVTOCSDDASQ-UPJWGTAASA-N 1 1 249.358 1.621 10 30 BDEEMO C[C@@H]1Cc2c([nH+]cn2C[C@H]2CO2)C[C@@H]1C ZINC000307103636 372086549 /nfs/dbraw/zinc/08/65/49/372086549.db2.gz ARJTVJQZSSLGIR-AEJSXWLSSA-N 1 1 206.289 1.653 10 30 BDEEMO N#Cc1cccc(N2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000246621552 374279552 /nfs/dbraw/zinc/27/95/52/374279552.db2.gz GJRLCDISAFLGNP-LBPRGKRZSA-N 1 1 228.299 1.238 10 30 BDEEMO C=CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246815276 374316195 /nfs/dbraw/zinc/31/61/95/374316195.db2.gz WUERUKPCKXPSGV-NEPJUHHUSA-N 1 1 237.347 1.441 10 30 BDEEMO C#CCC(C)(C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000185373019 532989651 /nfs/dbraw/zinc/98/96/51/532989651.db2.gz BDJXITHNZZAKDY-CYBMUJFWSA-N 1 1 248.370 1.733 10 30 BDEEMO C#CCC(C)(C)C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000185373019 532989658 /nfs/dbraw/zinc/98/96/58/532989658.db2.gz BDJXITHNZZAKDY-CYBMUJFWSA-N 1 1 248.370 1.733 10 30 BDEEMO CO[C@H]1C[C@H](CO)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000343992211 383903667 /nfs/dbraw/zinc/90/36/67/383903667.db2.gz VNFVXWMPOSZIFX-KGLIPLIRSA-N 1 1 246.310 1.140 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230.311 1.763 10 30 BDEEMO N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC000408109249 134394083 /nfs/dbraw/zinc/39/40/83/134394083.db2.gz XOCDTGVDTFJTFV-YPMHNXCESA-N 1 1 249.358 1.717 10 30 BDEEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1(C#N)CCC1 ZINC000252661846 135094644 /nfs/dbraw/zinc/09/46/44/135094644.db2.gz QGUDIUAXXCJCOD-NEPJUHHUSA-N 1 1 247.342 1.375 10 30 BDEEMO CNC(=[NH2+])N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000270325097 135365051 /nfs/dbraw/zinc/36/50/51/135365051.db2.gz XUVLOJPCWNZMNT-AAEUAGOBSA-N 1 1 246.358 1.184 10 30 BDEEMO C=CCN(C(=O)[C@@H]1CSC[NH2+]1)C1CCCC1 ZINC000037817625 166310447 /nfs/dbraw/zinc/31/04/47/166310447.db2.gz WFBVPARJQGTDCF-NSHDSACASA-N 1 1 240.372 1.606 10 30 BDEEMO C=CC[NH2+]CC(=O)c1cc(C)ccc1OC ZINC000049817156 166398974 /nfs/dbraw/zinc/39/89/74/166398974.db2.gz AYBXCTDTASGWTP-UHFFFAOYSA-N 1 1 219.284 1.962 10 30 BDEEMO CC(C)[N@@H+]1C[C@H](NCc2ccc(C#N)o2)[C@@H](C)C1 ZINC000154076319 167033871 /nfs/dbraw/zinc/03/38/71/167033871.db2.gz 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/nfs/dbraw/zinc/33/50/85/172335085.db2.gz CODMAQQTLVGRQP-LLVKDONJSA-N 1 1 247.323 1.184 10 30 BDEEMO C[NH+](C)/C=C/c1cccc(C#N)c1[N+](=O)[O-] ZINC000039644322 172350634 /nfs/dbraw/zinc/35/06/34/172350634.db2.gz HNWGYOYCIRSRHK-VOTSOKGWSA-N 1 1 217.228 1.999 10 30 BDEEMO C[NH+](C)C=C1CCCC(C(=O)C(F)(F)F)=C1O ZINC000043463780 172350853 /nfs/dbraw/zinc/35/08/53/172350853.db2.gz KPSZUCBQAYFOAY-CZEYKFRCSA-N 1 1 249.232 1.933 10 30 BDEEMO CN1CCC([NH2+][C@H]2CCCC[C@@H]2C#N)CC1 ZINC000054824966 172997421 /nfs/dbraw/zinc/99/74/21/172997421.db2.gz QMWPNMARDJEGSZ-YPMHNXCESA-N 1 1 221.348 1.753 10 30 BDEEMO C[N@H+]1CCC[C@@H](Nc2cc(C#N)ccn2)C1 ZINC000040673554 173020568 /nfs/dbraw/zinc/02/05/68/173020568.db2.gz PHVGWTICQOLSBA-LLVKDONJSA-N 1 1 216.288 1.459 10 30 BDEEMO C[N@H+]1CCN(C[C@@H]2CO2)[C@H](c2ccccc2)C1 ZINC000036994114 173084993 /nfs/dbraw/zinc/08/49/93/173084993.db2.gz HBKDJKJCXUSLEF-KGLIPLIRSA-N 1 1 232.327 1.374 10 30 BDEEMO CN1CC[N@H+](C[C@@H]2CO2)[C@H](c2ccccc2)C1 ZINC000036994114 173084995 /nfs/dbraw/zinc/08/49/95/173084995.db2.gz HBKDJKJCXUSLEF-KGLIPLIRSA-N 1 1 232.327 1.374 10 30 BDEEMO CN1CC[N@@H+](C[C@@H]2CO2)[C@H](c2ccccc2)C1 ZINC000036994114 173084996 /nfs/dbraw/zinc/08/49/96/173084996.db2.gz HBKDJKJCXUSLEF-KGLIPLIRSA-N 1 1 232.327 1.374 10 30 BDEEMO C[NH+]1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000019933890 173093193 /nfs/dbraw/zinc/09/31/93/173093193.db2.gz NSNYAYMQDLBOQI-JTQLQIEISA-N 1 1 221.329 1.560 10 30 BDEEMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C1(C#N)CCCC1 ZINC000071190154 173112971 /nfs/dbraw/zinc/11/29/71/173112971.db2.gz LAAIAQVOSVCXHL-GFCCVEGCSA-N 1 1 249.358 1.480 10 30 BDEEMO CN(C[C@H]1CC[N@@H+](C)C1)c1cccc(C#N)n1 ZINC000081619607 173142873 /nfs/dbraw/zinc/14/28/73/173142873.db2.gz DCPMYZIIVVBLLP-NSHDSACASA-N 1 1 230.315 1.341 10 30 BDEEMO CNC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CCCC[C@@H]1C#N ZINC000042422144 173297608 /nfs/dbraw/zinc/29/76/08/173297608.db2.gz IKIOPUUFZYJHGB-UPJWGTAASA-N 1 1 249.358 1.669 10 30 BDEEMO CNC(=O)[C@@H]1CCCC[N@H+]1[C@@H]1CCCC[C@@H]1C#N ZINC000042422144 173297609 /nfs/dbraw/zinc/29/76/09/173297609.db2.gz IKIOPUUFZYJHGB-UPJWGTAASA-N 1 1 249.358 1.669 10 30 BDEEMO COc1ccc(C[N@H+](C)C[C@H](C)C#N)cc1N ZINC000042454812 175095132 /nfs/dbraw/zinc/09/51/32/175095132.db2.gz WLPUVZAVXJLYFL-SNVBAGLBSA-N 1 1 233.315 1.869 10 30 BDEEMO COc1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1N ZINC000042454812 175095133 /nfs/dbraw/zinc/09/51/33/175095133.db2.gz WLPUVZAVXJLYFL-SNVBAGLBSA-N 1 1 233.315 1.869 10 30 BDEEMO C[C@@H]1C[C@H](C)C[N@H+](CCC/C(N)=N/O)C1 ZINC000019423928 177313101 /nfs/dbraw/zinc/31/31/01/177313101.db2.gz JANWEQOGCZETPL-AOOOYVTPSA-N 1 1 213.325 1.491 10 30 BDEEMO C[C@H]1C[C@H](Nc2nccc(C#N)n2)C[N@H+]1C1CC1 ZINC000297612459 177372395 /nfs/dbraw/zinc/37/23/95/177372395.db2.gz VRLJUTWZZZVJGD-ONGXEEELSA-N 1 1 243.314 1.385 10 30 BDEEMO N#Cc1ccncc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000252501236 490275086 /nfs/dbraw/zinc/27/50/86/490275086.db2.gz BGHPECJUNTYUPG-LBPRGKRZSA-N 1 1 228.299 1.238 10 30 BDEEMO C=CCCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000170682277 534607136 /nfs/dbraw/zinc/60/71/36/534607136.db2.gz LJIUKIAHRGJMCG-GFCCVEGCSA-N 1 1 222.332 1.649 10 30 BDEEMO C=CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113575476 534861062 /nfs/dbraw/zinc/86/10/62/534861062.db2.gz CUMHAUSPKWRCQN-WDEREUQCSA-N 1 1 223.320 1.051 10 30 BDEEMO CC(C)(C#N)CCCC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000373068984 534981368 /nfs/dbraw/zinc/98/13/68/534981368.db2.gz HSKYZUVQKIOVRO-NEPJUHHUSA-N 1 1 240.347 1.134 10 30 BDEEMO C#CCCCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000223566407 582786005 /nfs/dbraw/zinc/78/60/05/582786005.db2.gz MJOHISXTOLHZCN-KBPBESRZSA-N 1 1 220.360 1.958 10 30 BDEEMO CCOC(C[NH2+][C@H]1CCC[C@H]1C#N)OCC ZINC000309942743 633967007 /nfs/dbraw/zinc/96/70/07/633967007.db2.gz CDCLPGPACPEQBV-QWRGUYRKSA-N 1 1 226.320 1.667 10 30 BDEEMO C=CCC[C@@H](CO)[NH2+]Cc1cccc(F)c1O ZINC000320375140 636236547 /nfs/dbraw/zinc/23/65/47/636236547.db2.gz JWHCTLUSQGNMOZ-NSHDSACASA-N 1 1 239.290 1.948 10 30 BDEEMO C[N@H+]1CC[C@@H]2CN(C(=O)C3(C#N)CCC3)C[C@H]2C1 ZINC000310813295 636538002 /nfs/dbraw/zinc/53/80/02/636538002.db2.gz IQCWVHATKLNUAU-VXGBXAGGSA-N 1 1 247.342 1.090 10 30 BDEEMO C#CCCCC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000192151357 641967331 /nfs/dbraw/zinc/96/73/31/641967331.db2.gz YFRQMAHTWDWOMN-OLZOCXBDSA-N 1 1 236.359 1.635 10 30 BDEEMO C=C(Cl)CN1CC[N@@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000247378276 644636932 /nfs/dbraw/zinc/63/69/32/644636932.db2.gz VPYWRBDSCQXZJF-NWDGAFQWSA-N 1 1 246.782 1.516 10 30 BDEEMO C#CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000185249813 711905434 /nfs/dbraw/zinc/90/54/34/711905434.db2.gz MDZZQXGLTIEWIN-GFCCVEGCSA-N 1 1 236.359 1.636 10 30 BDEEMO CCCCCCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000705910780 712138969 /nfs/dbraw/zinc/13/89/69/712138969.db2.gz IDOJTVXLDHYLLR-NSHDSACASA-N 1 1 228.336 1.061 10 30 BDEEMO C[C@@H](C(N)=O)[N@@H+](C)CCCC(C)(C)C#N ZINC000711139372 712285416 /nfs/dbraw/zinc/28/54/16/712285416.db2.gz CFRUYSDNFPZRKZ-VIFPVBQESA-N 1 1 211.309 1.122 10 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BDEEMO Cn1nccc1C[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000070904806 343564530 /nfs/dbraw/zinc/56/45/30/343564530.db2.gz GJZAHIHRTOAHCJ-CMPLNLGQSA-N 1 1 218.304 1.592 10 30 BDEEMO C[C@@H]1C[C@H](O)CC[N@H+]1CC1(CC#N)CC1 ZINC000602930991 349822670 /nfs/dbraw/zinc/82/26/70/349822670.db2.gz QIDPBCTYUOWMMY-GHMZBOCLSA-N 1 1 208.305 1.525 10 30 BDEEMO C[C@H](C#N)C[N@@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000379806803 343631135 /nfs/dbraw/zinc/63/11/35/343631135.db2.gz OCKZVHXUCJHYBH-WOPDTQHZSA-N 1 1 210.321 1.629 10 30 BDEEMO C=C[C@H](C)[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000306919691 343895678 /nfs/dbraw/zinc/89/56/78/343895678.db2.gz FDTLMUCBSYZGTO-OPQQBVKSSA-N 1 1 201.335 1.404 10 30 BDEEMO C=C[C@H](C)[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000306919691 343895681 /nfs/dbraw/zinc/89/56/81/343895681.db2.gz FDTLMUCBSYZGTO-OPQQBVKSSA-N 1 1 201.335 1.404 10 30 BDEEMO C#CCOc1ccccc1CNCC[NH+](C)C ZINC000020083559 166200452 /nfs/dbraw/zinc/20/04/52/166200452.db2.gz YYWHLPKGSRYEHW-UHFFFAOYSA-N 1 1 232.327 1.350 10 30 BDEEMO Cc1c(Cl)cnn1CC[C@](C)([NH3+])C#N ZINC000070630511 343953613 /nfs/dbraw/zinc/95/36/13/343953613.db2.gz PBFZOIAICSLFRU-VIFPVBQESA-N 1 1 212.684 1.476 10 30 BDEEMO CC#CC[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000126261157 344172845 /nfs/dbraw/zinc/17/28/45/344172845.db2.gz ZEHCVNWQURHHJP-QWHCGFSZSA-N 1 1 206.333 1.568 10 30 BDEEMO CC#CC[N@H+]1C[C@H]2CCCCN2C[C@@H]1C ZINC000126261157 344172847 /nfs/dbraw/zinc/17/28/47/344172847.db2.gz ZEHCVNWQURHHJP-QWHCGFSZSA-N 1 1 206.333 1.568 10 30 BDEEMO C[C@H]1C[N@H+](Cc2ccnc(C#N)c2)CCS1 ZINC000135512237 344506122 /nfs/dbraw/zinc/50/61/22/344506122.db2.gz JWZCUOBHUHJOAC-JTQLQIEISA-N 1 1 233.340 1.891 10 30 BDEEMO C[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCS1 ZINC000135512237 344506123 /nfs/dbraw/zinc/50/61/23/344506123.db2.gz JWZCUOBHUHJOAC-JTQLQIEISA-N 1 1 233.340 1.891 10 30 BDEEMO C[C@@]1(O)CCC[N@@H+](CCCS)CC1 ZINC000230384481 344569842 /nfs/dbraw/zinc/56/98/42/344569842.db2.gz LQVXMIANDPGQOI-SNVBAGLBSA-N 1 1 203.351 1.543 10 30 BDEEMO C[C@](O)(C[NH2+][C@H]1CCC[C@@H]1C#N)C(F)(F)F ZINC000408466511 345315727 /nfs/dbraw/zinc/31/57/27/345315727.db2.gz LPQYDSRLEBMYEX-VGMNWLOBSA-N 1 1 236.237 1.582 10 30 BDEEMO CC(C)N(C)C(=O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000408468035 345317470 /nfs/dbraw/zinc/31/74/70/345317470.db2.gz PMEFDODXEJZGRV-GHMZBOCLSA-N 1 1 223.320 1.135 10 30 BDEEMO C[C@@H]1[C@@H](O)CCC[N@H+]1CCC(C)(C)C#N ZINC000335375922 345340468 /nfs/dbraw/zinc/34/04/68/345340468.db2.gz MTIKUBNQMNHARN-MNOVXSKESA-N 1 1 210.321 1.771 10 30 BDEEMO CC#CC[NH2+]Cc1cn2ccsc2n1 ZINC000167818184 347225561 /nfs/dbraw/zinc/22/55/61/347225561.db2.gz LZEGPYNQQXTRME-UHFFFAOYSA-N 1 1 205.286 1.509 10 30 BDEEMO N#Cc1cc2c(nc1N)CC[N@@H+](C1CC1)C2 ZINC000725244764 537997073 /nfs/dbraw/zinc/99/70/73/537997073.db2.gz AZGJNPBRIRCWCV-UHFFFAOYSA-N 1 1 214.272 1.056 10 30 BDEEMO CC#CC[N@@H+](C)[C@@H]1CCCN(c2cccnn2)C1 ZINC000119108263 348200688 /nfs/dbraw/zinc/20/06/88/348200688.db2.gz LLGWERHINXWCAQ-CYBMUJFWSA-N 1 1 244.342 1.401 10 30 BDEEMO C[C@@H]1CN2CCCC[C@H]2C[N@H+]1CCC=O ZINC000251747583 362904877 /nfs/dbraw/zinc/90/48/77/362904877.db2.gz LDVFOUNGXSOFMW-NEPJUHHUSA-N 1 1 210.321 1.134 10 30 BDEEMO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCC=O ZINC000251747583 362904881 /nfs/dbraw/zinc/90/48/81/362904881.db2.gz LDVFOUNGXSOFMW-NEPJUHHUSA-N 1 1 210.321 1.134 10 30 BDEEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CCC=O ZINC000251747583 362904884 /nfs/dbraw/zinc/90/48/84/362904884.db2.gz LDVFOUNGXSOFMW-NEPJUHHUSA-N 1 1 210.321 1.134 10 30 BDEEMO Cc1[nH+]cc(CN[C@@H]2CCC[C@@H]2C#N)n1C ZINC000597083537 348659527 /nfs/dbraw/zinc/65/95/27/348659527.db2.gz RQHOSPMSJIIKHB-ZYHUDNBSSA-N 1 1 218.304 1.510 10 30 BDEEMO C=C(Br)C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000307626300 349371777 /nfs/dbraw/zinc/37/17/77/349371777.db2.gz UINSNYJVZLJCQP-SNVBAGLBSA-N 1 1 248.164 1.989 10 30 BDEEMO Cc1[nH+]ccn1Cc1ccccc1/C(N)=N/O ZINC000019515573 180270235 /nfs/dbraw/zinc/27/02/35/180270235.db2.gz OUBITVAQWNMRIH-UHFFFAOYSA-N 1 1 230.271 1.334 10 30 BDEEMO 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