smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)C1=C(C(=O)[O-])N(CCCCCC(=O)[O-])C(=O)N[C@H]1c1ccc(F)cc1 ZINC000736125690 599987385 /nfs/dbraw/zinc/98/73/85/599987385.db2.gz KWPSKISAEHYFJT-INIZCTEOSA-N -2 0 392.383 2.465 20 30 GEEDRL Cn1ccc(S(=O)(=O)[N-]c2cccc(C#Cc3cccc(C(=O)[O-])c3)c2)n1 ZINC000739038257 600094932 /nfs/dbraw/zinc/09/49/32/600094932.db2.gz BSWHAPGQNSOYFQ-UHFFFAOYSA-N -2 0 381.413 2.319 20 30 GEEDRL N#CCCCOc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000739073559 600104398 /nfs/dbraw/zinc/10/43/98/600104398.db2.gz VHKOHEGXUOCMCQ-UHFFFAOYSA-N -2 0 379.369 2.402 20 30 GEEDRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1C(=O)[O-] ZINC000831434901 600688491 /nfs/dbraw/zinc/68/84/91/600688491.db2.gz JVZMYOMINOTNPX-UHFFFAOYSA-N -2 0 394.792 2.497 20 30 GEEDRL CC1=C(C(=O)[O-])[C@H](c2ccc(C#N)o2)NC(=O)N1Cc1ccc(C(=O)[O-])cc1 ZINC000828135994 600783212 /nfs/dbraw/zinc/78/32/12/600783212.db2.gz QQZNJMQDHLJPRF-INIZCTEOSA-N -2 0 381.344 2.475 20 30 GEEDRL CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000737335368 600784206 /nfs/dbraw/zinc/78/42/06/600784206.db2.gz FWBWYTRYEFDQDS-UHFFFAOYSA-N -2 0 376.350 2.381 20 30 GEEDRL N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000739129822 600784713 /nfs/dbraw/zinc/78/47/13/600784713.db2.gz GKCQYMXXTLESEH-UHFFFAOYSA-N -2 0 380.313 2.496 20 30 GEEDRL N#CCCCOc1cccnc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000738428728 601359781 /nfs/dbraw/zinc/35/97/81/601359781.db2.gz RFPIDDLQPWQINT-UHFFFAOYSA-N -2 0 379.369 2.402 20 30 GEEDRL N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](Cc2cccc(F)c2)C(=O)[O-])c(F)c1 ZINC000833069513 601982351 /nfs/dbraw/zinc/98/23/51/601982351.db2.gz CEMCTQJYPIPCGS-GFCCVEGCSA-N -2 0 398.362 2.197 20 30 GEEDRL N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])c1 ZINC000833068152 602155489 /nfs/dbraw/zinc/15/54/89/602155489.db2.gz PENAHOLPSPSISA-UHFFFAOYSA-N -2 0 388.224 2.276 20 30 GEEDRL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(C#N)c1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823714637 604211661 /nfs/dbraw/zinc/21/16/61/604211661.db2.gz QGZKKAAUJXAXSP-MLGOLLRUSA-N -2 0 387.417 2.008 20 30 GEEDRL Cc1cc([N-]S(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])nn1CCC#N ZINC000833747183 604510621 /nfs/dbraw/zinc/51/06/21/604510621.db2.gz SNZXBILEURXEEQ-UHFFFAOYSA-N -2 0 385.405 2.152 20 30 GEEDRL C[C@@H]1CC[C@H](C(=O)OCCc2c(C(=O)[O-])[n-]n(-c3ccc(C#N)cc3)c2=O)C1 ZINC000833606260 605187901 /nfs/dbraw/zinc/18/79/01/605187901.db2.gz OHPMNERWFNDYMP-OCCSQVGLSA-N -2 0 383.404 2.257 20 30 GEEDRL N#CC(C(=O)NC1CC1)=C([O-])c1csc(Cc2ccc(NC(=O)[O-])cc2)n1 ZINC000833962065 605586474 /nfs/dbraw/zinc/58/64/74/605586474.db2.gz XIJIYTWZLQPTBI-CYBMUJFWSA-N -2 0 384.417 2.425 20 30 GEEDRL N#Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(Cl)c1 ZINC000486543428 650714763 /nfs/dbraw/zinc/71/47/63/650714763.db2.gz WHATUKMKSCIUNC-UHFFFAOYSA-N -2 0 380.765 2.409 20 30 GEEDRL C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000569904947 651732990 /nfs/dbraw/zinc/73/29/90/651732990.db2.gz JMIPUJZSECRCLY-ZETCQYMHSA-N -2 0 384.198 2.425 20 30 GEEDRL C[C@@H]1CC(=NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])NO1 ZINC000765379004 652837609 /nfs/dbraw/zinc/83/76/09/652837609.db2.gz PBUDJYMEWVMDEG-SECBINFHSA-N -2 0 381.435 2.107 20 30 GEEDRL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)C(F)F ZINC000809225998 653256781 /nfs/dbraw/zinc/25/67/81/653256781.db2.gz JDTJEDXSFKQQFI-VKHMYHEASA-N -2 0 383.241 2.016 20 30 GEEDRL C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)cc1 ZINC000327274169 532791825 /nfs/dbraw/zinc/79/18/25/532791825.db2.gz DWCOBADRDNUBCB-UHFFFAOYSA-N -2 0 380.447 2.471 20 30 GEEDRL C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@H](CC(=O)[O-])C3)cc2[n-]c1=S ZINC000769528481 597093551 /nfs/dbraw/zinc/09/35/51/597093551.db2.gz ULFNSSXRRCVATH-GFCCVEGCSA-N -2 0 387.461 2.198 20 30 GEEDRL CC1(C(=O)OCCc2c(C(=O)[O-])[n-]n(-c3ccc(C#N)cc3)c2=O)CCCC1 ZINC000736728086 600100676 /nfs/dbraw/zinc/10/06/76/600100676.db2.gz IPWWYAULOQMGMJ-UHFFFAOYSA-N -2 0 383.404 2.401 20 30 GEEDRL Cc1oc(C)c(S(=O)(=O)[N-]c2ncccc2OCCCC#N)c1C(=O)[O-] ZINC000738968879 600104367 /nfs/dbraw/zinc/10/43/67/600104367.db2.gz FVEKHTMKBBAUGP-UHFFFAOYSA-N -2 0 379.394 2.473 20 30 GEEDRL C=CCn1c(=O)c2ccc(C(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)cc2[n-]c1=S ZINC000736117408 600267929 /nfs/dbraw/zinc/26/79/29/600267929.db2.gz JBGPPMPCFFVBBY-CQSZACIVSA-N -2 0 399.472 2.198 20 30 GEEDRL CS(=O)(=O)[N-]c1cc(F)ccc1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738163824 600612882 /nfs/dbraw/zinc/61/28/82/600612882.db2.gz HYSLQESLRIYKMO-HNNXBMFYSA-N -2 0 392.364 2.052 20 30 GEEDRL N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cnn(CC(=O)[O-])c3)cc2)cc1 ZINC000833072014 600678658 /nfs/dbraw/zinc/67/86/58/600678658.db2.gz TWFPWSGEUPQHRX-UHFFFAOYSA-N -2 0 398.400 2.432 20 30 GEEDRL C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000825687756 601383264 /nfs/dbraw/zinc/38/32/64/601383264.db2.gz VHGDGTMUULHSSD-UHFFFAOYSA-N -2 0 395.824 2.150 20 30 GEEDRL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N ZINC000268002901 601485525 /nfs/dbraw/zinc/48/55/25/601485525.db2.gz ODZHCLIVUBUWFN-UHFFFAOYSA-N -2 0 378.410 2.017 20 30 GEEDRL Cc1cc([N-]S(=O)(=O)c2cc(Br)cc(C#N)c2)c(C(=O)[O-])[nH]1 ZINC000832898118 601575354 /nfs/dbraw/zinc/57/53/54/601575354.db2.gz ARPDUAHLNVISGZ-UHFFFAOYSA-N -2 0 384.211 2.456 20 30 GEEDRL C=CCn1c(=O)c2ccc(C(=O)NCC3(C(=O)[O-])CCCC3)cc2[n-]c1=S ZINC000825710840 601707523 /nfs/dbraw/zinc/70/75/23/601707523.db2.gz DAXKCBDSEVDIJE-UHFFFAOYSA-N -2 0 387.461 2.246 20 30 GEEDRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc(C#Cc2ccccn2)c1 ZINC000833346837 601769398 /nfs/dbraw/zinc/76/93/98/601769398.db2.gz VZSSARCWPIQFGW-UHFFFAOYSA-N -2 0 385.426 2.437 20 30 GEEDRL C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000825625774 601828765 /nfs/dbraw/zinc/82/87/65/601828765.db2.gz NCXADGZCQKQOIH-UHFFFAOYSA-N -2 0 392.820 2.202 20 30 GEEDRL N#CCc1ccnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000833069183 601964952 /nfs/dbraw/zinc/96/49/52/601964952.db2.gz OEWFETQYQWNYNZ-UHFFFAOYSA-N -2 0 396.222 2.409 20 30 GEEDRL C=CCn1c(=O)c2ccc(C(=O)NCc3cccc(C(=O)[O-])c3)cc2[n-]c1=S ZINC000776209125 602057252 /nfs/dbraw/zinc/05/72/52/602057252.db2.gz NJNFEBISYPXXCO-UHFFFAOYSA-N -2 0 395.440 2.499 20 30 GEEDRL N#CCCCS(=O)(=O)[N-]C(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1 ZINC000833760180 605089037 /nfs/dbraw/zinc/08/90/37/605089037.db2.gz JIYDLDFHXXXVLW-UHFFFAOYSA-N -2 0 379.316 2.159 20 30 GEEDRL CC(C)(C)n1cc(C#N)c([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)n1 ZINC000833452975 605123772 /nfs/dbraw/zinc/12/37/72/605123772.db2.gz NBZNEEZRBKHTHQ-UHFFFAOYSA-N -2 0 388.449 2.427 20 30 GEEDRL COCCOc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000544099057 650932975 /nfs/dbraw/zinc/93/29/75/650932975.db2.gz WDURXNJJBRZQDD-UHFFFAOYSA-N -2 0 382.419 2.144 20 30 GEEDRL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2[N-]S(C)(=O)=O)ccc1C#N ZINC000435716433 648785963 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380.422 2.387 20 30 GEEDRL CCOc1cc(C([O-])=C(C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)[O-] ZINC000737179206 600056091 /nfs/dbraw/zinc/05/60/91/600056091.db2.gz DLMLYNYHIDDFPJ-OAHLLOKOSA-N -2 0 388.420 2.320 20 30 GEEDRL C=CCn1c(=O)c2ccc(C(=O)NCc3ccc(C(=O)[O-])o3)cc2[n-]c1=S ZINC000736116992 600496412 /nfs/dbraw/zinc/49/64/12/600496412.db2.gz HKRILCILXAMOKM-UHFFFAOYSA-N -2 0 385.401 2.092 20 30 GEEDRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000738164157 600610838 /nfs/dbraw/zinc/61/08/38/600610838.db2.gz NAHDCCXVBZPDSC-OAHLLOKOSA-N -2 0 392.364 2.052 20 30 GEEDRL C#CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000736089512 600900733 /nfs/dbraw/zinc/90/07/33/600900733.db2.gz LSLHAAJJDYUWGS-UHFFFAOYSA-N -2 0 393.392 2.492 20 30 GEEDRL O=C([O-])c1ccsc1N1CC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1=O ZINC000833336637 601178126 /nfs/dbraw/zinc/17/81/26/601178126.db2.gz TUVPAMCYDAAOAO-OYZNXWOWSA-N -2 0 375.362 2.285 20 30 GEEDRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000832918190 601338879 /nfs/dbraw/zinc/33/88/79/601338879.db2.gz HXRQUWIZKNCJPU-UHFFFAOYSA-N -2 0 397.416 2.006 20 30 GEEDRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1C#N ZINC000831950227 601486127 /nfs/dbraw/zinc/48/61/27/601486127.db2.gz OZSYZAJJCHCMJE-UHFFFAOYSA-N -2 0 384.439 2.079 20 30 GEEDRL Cc1cc(C([O-])=C(C#N)C(=O)NCc2ccccc2)cc(C)c1OCC(=O)[O-] ZINC000832858316 601499135 /nfs/dbraw/zinc/49/91/35/601499135.db2.gz BVRSEVQOPSMSJI-KRWDZBQOSA-N -2 0 380.400 2.406 20 30 GEEDRL Cc1c(C([O-])=C(C#N)c2nc3ccccc3[nH]2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740030633 602212649 /nfs/dbraw/zinc/21/26/49/602212649.db2.gz JYYOIFGOVYOPRE-ZDUSSCGKSA-N -2 0 393.407 2.268 20 30 GEEDRL COc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])ccc1NC(=O)[O-] ZINC000739867523 603011980 /nfs/dbraw/zinc/01/19/80/603011980.db2.gz BZTSMCFBCVDIOF-UHFFFAOYSA-N -2 0 392.349 2.366 20 30 GEEDRL Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1nc2c(s1)CN(C(=O)[O-])CC2 ZINC000740102230 603331570 /nfs/dbraw/zinc/33/15/70/603331570.db2.gz BDUDJWLTRQSCSE-UHFFFAOYSA-N -2 0 378.435 2.160 20 30 GEEDRL N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](NC(=O)[O-])c2ccccc2)c(F)c1 ZINC000831114679 603916734 /nfs/dbraw/zinc/91/67/34/603916734.db2.gz QNPITYSLTKCPSS-CQSZACIVSA-N -2 0 381.360 2.124 20 30 GEEDRL C=CCn1c(=O)c2ccc(C(=O)NCC(CC)(CC)C(=O)[O-])cc2[n-]c1=S ZINC000818326141 605102885 /nfs/dbraw/zinc/10/28/85/605102885.db2.gz RYNYRXLAMQFNNE-UHFFFAOYSA-N -2 0 389.477 2.492 20 30 GEEDRL Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc2c(ccn2CCCNC(=O)[O-])c1 ZINC000831031110 605272091 /nfs/dbraw/zinc/27/20/91/605272091.db2.gz KDSCZKXNHKDAOD-OAHLLOKOSA-N -2 0 393.403 2.238 20 30 GEEDRL CC(N=Nc1oc(C(C)(C)C)nc1-c1nnn[n-]1)c1cc(C(=O)[O-])ccc1O ZINC000819781656 606856428 /nfs/dbraw/zinc/85/64/28/606856428.db2.gz BZQOZQNMEQKPNX-UHFFFAOYSA-N -2 0 385.384 2.392 20 30 GEEDRL N#CCCn1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)n1 ZINC000476399743 650549545 /nfs/dbraw/zinc/54/95/45/650549545.db2.gz 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N#Cc1ccc(S(=O)(=O)[N-]C(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)cc1 ZINC000740322050 602670164 /nfs/dbraw/zinc/67/01/64/602670164.db2.gz ZKZYXDUQLHPWHE-MRXNPFEDSA-N -2 0 387.417 2.152 20 30 GEEDRL C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2nc(CC)c(C(=O)[O-])s2)c1 ZINC000833376542 604991026 /nfs/dbraw/zinc/99/10/26/604991026.db2.gz GMNQMMDEDLABDT-UHFFFAOYSA-N -2 0 395.462 2.120 20 30 GEEDRL C[C@@H](C#N)Oc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000833402478 605330365 /nfs/dbraw/zinc/33/03/65/605330365.db2.gz NPQINZQQFMBPMV-JTQLQIEISA-N -2 0 391.361 2.385 20 30 GEEDRL C=CCC[C@H]([N-]S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)C(=O)[O-] ZINC000776589088 653362263 /nfs/dbraw/zinc/36/22/63/653362263.db2.gz UAFVGNQZXWNKLN-VIFPVBQESA-N -2 0 396.799 2.274 20 30 GEEDRL O=S(=O)([N-]N=c1c(F)c(F)[n-]c(F)c1F)c1cnccc1C(F)(F)F ZINC000785482134 653709815 /nfs/dbraw/zinc/70/98/15/653709815.db2.gz REDCWBXZHNLCMR-UHFFFAOYSA-N -2 0 390.240 2.357 20 30 GEEDRL Cn1nccc1S(=O)(=O)[N-]c1cccc(C#Cc2cccc(C(=O)[O-])c2)c1 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603011682 /nfs/dbraw/zinc/01/16/82/603011682.db2.gz PTSBPUWKGFVDPW-UHFFFAOYSA-N -2 0 392.349 2.366 20 30 GEEDRL N#Cc1c(F)cccc1-n1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])n1 ZINC000833761404 605785375 /nfs/dbraw/zinc/78/53/75/605785375.db2.gz ZCFHLHLJNCXZSD-UHFFFAOYSA-N -2 0 392.393 2.444 20 30 GEEDRL N#Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F)c(F)c1 ZINC000596039130 532582397 /nfs/dbraw/zinc/58/23/97/532582397.db2.gz NGGQLFPEOBIMKE-QMMMGPOBSA-N -2 0 386.298 2.158 20 30 GEEDRL N#Cc1ccc(S(=O)(=O)[N-]C(=O)CCc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000739130099 600101096 /nfs/dbraw/zinc/10/10/96/600101096.db2.gz LKUNVQNRIIKFAB-UHFFFAOYSA-N -2 0 392.820 2.348 20 30 GEEDRL COc1cc(C(=O)[O-])cc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c1OC ZINC000484957062 600897621 /nfs/dbraw/zinc/89/76/21/600897621.db2.gz YRXBPPVZUMQNFF-UHFFFAOYSA-N -2 0 376.390 2.383 20 30 GEEDRL O=C([O-])c1ccsc1N1CC[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2[O-])C1=O ZINC000833336635 601177914 /nfs/dbraw/zinc/17/79/14/601177914.db2.gz 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QTUSFFROHUNTBX-UHFFFAOYSA-N -2 0 394.416 2.362 20 30 GEEDRL Cc1csc(C(C#N)=C([O-])COC(=O)c2ccc(NC(=O)[O-])c(O)c2)n1 ZINC000832988655 600733902 /nfs/dbraw/zinc/73/39/02/600733902.db2.gz CPIBPEZBPABRGA-JTQLQIEISA-N -2 0 375.362 2.280 20 30 GEEDRL CN(Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000737485873 600784053 /nfs/dbraw/zinc/78/40/53/600784053.db2.gz JPSDTRCZPVLVRQ-UHFFFAOYSA-N -2 0 390.377 2.377 20 30 GEEDRL O=C([O-])Cn1cc(S(=O)(=O)[N-]c2ccccc2C#Cc2ccccc2)cn1 ZINC000833274318 601334652 /nfs/dbraw/zinc/33/46/52/601334652.db2.gz ZAZRUZZMHBTSFP-UHFFFAOYSA-N -2 0 381.413 2.168 20 30 GEEDRL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832699305 601348451 /nfs/dbraw/zinc/34/84/51/601348451.db2.gz DKIIRYCFLQZYIA-OAHLLOKOSA-N -2 0 392.364 2.052 20 30 GEEDRL N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])c1 ZINC000833067720 601576755 /nfs/dbraw/zinc/57/67/55/601576755.db2.gz HAKBXPNZPICPHR-UHFFFAOYSA-N -2 0 382.195 2.215 20 30 GEEDRL N#Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3[nH]nc(C(=O)[O-])c3c2)c(F)c1 ZINC000833069545 601858601 /nfs/dbraw/zinc/85/86/01/601858601.db2.gz FELOHHKNCNEFAV-UHFFFAOYSA-N -2 0 378.316 2.212 20 30 GEEDRL N#CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000833067368 602119667 /nfs/dbraw/zinc/11/96/67/602119667.db2.gz CYMKDTYBKARFHM-UHFFFAOYSA-N -2 0 385.760 2.275 20 30 GEEDRL Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cc2c(cc1NC(=O)[O-])OCO2 ZINC000829904895 603888256 /nfs/dbraw/zinc/88/82/56/603888256.db2.gz VEVBXGBMFPYMAR-UHFFFAOYSA-N -2 0 375.362 2.486 20 30 GEEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cnc3c(c2)CN(C(=O)[O-])CC3)cc1Cl ZINC000833976330 605877188 /nfs/dbraw/zinc/87/71/88/605877188.db2.gz DTYIKNDRGQJRDQ-UHFFFAOYSA-N -2 0 392.824 2.444 20 30 GEEDRL N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)cn1 ZINC000389720154 647891022 /nfs/dbraw/zinc/89/10/22/647891022.db2.gz HMCOHQNHBWGLFJ-UHFFFAOYSA-N -2 0 382.195 2.215 20 30 GEEDRL C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000569904946 651732323 /nfs/dbraw/zinc/73/23/23/651732323.db2.gz JMIPUJZSECRCLY-SSDOTTSWSA-N -2 0 384.198 2.425 20 30 GEEDRL O=S(=O)([N-]N=c1c(F)c(F)[n-]c(F)c1F)c1cccnc1C(F)(F)F ZINC000808070151 653216898 /nfs/dbraw/zinc/21/68/98/653216898.db2.gz OQIGONHPWFPJDT-UHFFFAOYSA-N -2 0 390.240 2.357 20 30 GEEDRL CSc1[n-]c(=O)c(C(=O)Nc2nc(Br)ccc2[O-])cc1C#N ZINC000783901764 653686278 /nfs/dbraw/zinc/68/62/78/653686278.db2.gz VLHFPVRQOGHBQY-UHFFFAOYSA-N -2 0 381.211 2.496 20 30 GEEDRL