smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[N@H+](CCC#N)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904189209 956916487 /nfs/dbraw/zinc/91/64/87/956916487.db2.gz FDNHQRJHOYIAMK-UHFFFAOYSA-N 0 2 333.432 2.952 20 30 EFEDLN CC(C)C[N@@H+](CCC#N)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904189209 956916496 /nfs/dbraw/zinc/91/64/96/956916496.db2.gz FDNHQRJHOYIAMK-UHFFFAOYSA-N 0 2 333.432 2.952 20 30 EFEDLN Cc1cccc([C@@H]([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594397891 958789840 /nfs/dbraw/zinc/78/98/40/958789840.db2.gz ODPFGOOXABHZER-MRXNPFEDSA-N 0 2 325.324 2.690 20 30 EFEDLN N#Cc1ccc(C[N@H+]2CCOc3c(cccc3C(=O)[O-])C2)cc1F ZINC001571170707 962046959 /nfs/dbraw/zinc/04/69/59/962046959.db2.gz IZGODZWVLJRYTO-UHFFFAOYSA-N 0 2 326.327 2.790 20 30 EFEDLN N#Cc1ccc(C[N@@H+]2CCOc3c(cccc3C(=O)[O-])C2)cc1F ZINC001571170707 962046982 /nfs/dbraw/zinc/04/69/82/962046982.db2.gz IZGODZWVLJRYTO-UHFFFAOYSA-N 0 2 326.327 2.790 20 30 EFEDLN Cn1nccc1[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)C(=O)[O-] ZINC001605567240 973811876 /nfs/dbraw/zinc/81/18/76/973811876.db2.gz BDQOUPFXUNNKNV-LJQANCHMSA-N 0 2 346.390 2.874 20 30 EFEDLN CC[C@@H](CC#N)[NH2+]CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001595030843 979171181 /nfs/dbraw/zinc/17/11/81/979171181.db2.gz XRJHEBYRTQPGMZ-JTQLQIEISA-N 0 2 335.429 2.545 20 30 EFEDLN C#C[C@@H]([NH2+]Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)[C@@H]1CCCO1 ZINC001588377482 983357181 /nfs/dbraw/zinc/35/71/81/983357181.db2.gz MOYPMLFYYJHJGT-CVEARBPZSA-N 0 2 342.420 2.779 20 30 EFEDLN C=CCCC[C@H](NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)C(=O)[O-] ZINC001588794249 984226048 /nfs/dbraw/zinc/22/60/48/984226048.db2.gz PGQNHPIEJODLNY-XHSDSOJGSA-N 0 2 345.443 2.978 20 30 EFEDLN CCn1nc(C)c(C[N@H+](C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1C ZINC001597933138 989892481 /nfs/dbraw/zinc/89/24/81/989892481.db2.gz BOOYPTUQMVQQGP-KRWDZBQOSA-N 0 2 326.400 2.649 20 30 EFEDLN CCn1nc(C)c(C[N@@H+](C)[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1C ZINC001597933138 989892489 /nfs/dbraw/zinc/89/24/89/989892489.db2.gz BOOYPTUQMVQQGP-KRWDZBQOSA-N 0 2 326.400 2.649 20 30 EFEDLN C[NH+](C)[C@H](C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccccc1 ZINC001598165304 990679393 /nfs/dbraw/zinc/67/93/93/990679393.db2.gz NFRQHDPOJAOTHQ-IRXDYDNUSA-N 0 2 338.363 2.530 20 30 EFEDLN C[C@H]([NH2+]Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)c1cccc(C#N)c1 ZINC001593312296 994798744 /nfs/dbraw/zinc/79/87/44/994798744.db2.gz SFZOALFMLHFSNE-NSHDSACASA-N 0 2 348.362 2.756 20 30 EFEDLN COc1ccc(C#N)cc1C[N@@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC001599476723 998544705 /nfs/dbraw/zinc/54/47/05/998544705.db2.gz KAZRBOJGGXMQIV-UHFFFAOYSA-N 0 2 338.363 2.660 20 30 EFEDLN COc1ccc(C#N)cc1C[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC001599476723 998544713 /nfs/dbraw/zinc/54/47/13/998544713.db2.gz KAZRBOJGGXMQIV-UHFFFAOYSA-N 0 2 338.363 2.660 20 30 EFEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@H]2CCC(F)(F)C2)n1 ZINC000796661494 1093126916 /nfs/dbraw/zinc/12/69/16/1093126916.db2.gz YIWBPDKQDQFYEV-DTWKUNHWSA-N 0 2 328.340 2.931 20 30 EFEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H]2CCC(F)(F)C2)n1 ZINC000796661494 1093126920 /nfs/dbraw/zinc/12/69/20/1093126920.db2.gz YIWBPDKQDQFYEV-DTWKUNHWSA-N 0 2 328.340 2.931 20 30 EFEDLN CC(C)c1csc([C@@H](C#N)C(=O)c2csc(-c3nn[nH]n3)c2)n1 ZINC001589774192 1093143046 /nfs/dbraw/zinc/14/30/46/1093143046.db2.gz YNBOMOKVBHONBT-VIFPVBQESA-N 0 2 344.425 2.998 20 30 EFEDLN CC(C)c1csc(C(C#N)C(=O)c2csc(-c3nn[nH]n3)c2)n1 ZINC001589774192 1093143050 /nfs/dbraw/zinc/14/30/50/1093143050.db2.gz YNBOMOKVBHONBT-VIFPVBQESA-N 0 2 344.425 2.998 20 30 EFEDLN C[C@@H](N=Cc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2nn[nH]n2)cc1 ZINC001589914848 1093178498 /nfs/dbraw/zinc/17/84/98/1093178498.db2.gz VOZWFQPXVSIOEV-IYPWXLATSA-N 0 2 338.327 2.661 20 30 EFEDLN N#Cc1ccc(NC2(CNC(=O)C(F)C(F)(F)F)CCCC2)nc1 ZINC001104437366 1093219474 /nfs/dbraw/zinc/21/94/74/1093219474.db2.gz UENXTXQBZYKQRP-LBPRGKRZSA-N 0 2 344.312 2.695 20 30 EFEDLN N#Cc1ccc(NC2(CNC(=O)[C@H](F)C(F)(F)F)CCCC2)nc1 ZINC001104437366 1093219480 /nfs/dbraw/zinc/21/94/80/1093219480.db2.gz UENXTXQBZYKQRP-LBPRGKRZSA-N 0 2 344.312 2.695 20 30 EFEDLN CCCc1ccc(C=Nn2c(C)cc(C)c(-c3nn[nH]n3)c2=O)s1 ZINC001590658949 1093532543 /nfs/dbraw/zinc/53/25/43/1093532543.db2.gz VCPAWXFLCCFKCB-UHFFFAOYSA-N 0 2 342.428 2.541 20 30 EFEDLN Cc1cc(C)cc([C@@H]([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001600167598 1094831570 /nfs/dbraw/zinc/83/15/70/1094831570.db2.gz IGXMCLUUOHMRNP-QGZVFWFLSA-N 0 2 339.351 2.999 20 30 EFEDLN Cc1oc(C(=O)[O-])cc1C[NH+]1CCN(c2ccsc2C#N)CC1 ZINC001600830549 1095364030 /nfs/dbraw/zinc/36/40/30/1095364030.db2.gz YKCOBSWBSFEHKA-UHFFFAOYSA-N 0 2 331.397 2.542 20 30 EFEDLN N#CCSc1ccccc1NC(=O)C[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC001601076346 1095492679 /nfs/dbraw/zinc/49/26/79/1095492679.db2.gz XYHFXENYZFPLQW-CQSZACIVSA-N 0 2 347.440 2.570 20 30 EFEDLN N#CCSc1ccccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC001601076346 1095492689 /nfs/dbraw/zinc/49/26/89/1095492689.db2.gz XYHFXENYZFPLQW-CQSZACIVSA-N 0 2 347.440 2.570 20 30 EFEDLN N#Cc1c(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cccc1C(=O)[O-] ZINC001601081892 1095496067 /nfs/dbraw/zinc/49/60/67/1095496067.db2.gz QMSBLKZXAVKFSE-CYBMUJFWSA-N 0 2 330.775 2.553 20 30 EFEDLN N#Cc1c(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cccc1C(=O)[O-] ZINC001601081892 1095496070 /nfs/dbraw/zinc/49/60/70/1095496070.db2.gz QMSBLKZXAVKFSE-CYBMUJFWSA-N 0 2 330.775 2.553 20 30 EFEDLN N#Cc1ccc(N2CC[NH+](Cc3c[nH]c(C(=O)[O-])c3)CC2)c(Cl)c1 ZINC001601106081 1095514614 /nfs/dbraw/zinc/51/46/14/1095514614.db2.gz NQMDFDGMSNGVBI-UHFFFAOYSA-N 0 2 344.802 2.560 20 30 EFEDLN N#Cc1ccc(F)cc1C[NH+]1CCC(c2cc(C(=O)[O-])on2)CC1 ZINC001601106392 1095515275 /nfs/dbraw/zinc/51/52/75/1095515275.db2.gz SKSUTTMUMRJECU-UHFFFAOYSA-N 0 2 329.331 2.763 20 30 EFEDLN N#Cc1cnc(Cl)c(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1 ZINC001601130726 1095533262 /nfs/dbraw/zinc/53/32/62/1095533262.db2.gz TWSUDGWKJHLNBN-MNOVXSKESA-N 0 2 347.724 2.692 20 30 EFEDLN N#Cc1cnc(Cl)c(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1 ZINC001601130726 1095533269 /nfs/dbraw/zinc/53/32/69/1095533269.db2.gz TWSUDGWKJHLNBN-MNOVXSKESA-N 0 2 347.724 2.692 20 30 EFEDLN O=C([O-])[C@H]1Cc2ccc(O)cc2C[N@H+]1CC#Cc1ccccc1Cl ZINC001601865570 1095941099 /nfs/dbraw/zinc/94/10/99/1095941099.db2.gz XPWNWZNDXXRRPX-GOSISDBHSA-N 0 2 341.794 2.909 20 30 EFEDLN O=C([O-])[C@H]1Cc2ccc(O)cc2C[N@@H+]1CC#Cc1ccccc1Cl ZINC001601865570 1095941105 /nfs/dbraw/zinc/94/11/05/1095941105.db2.gz XPWNWZNDXXRRPX-GOSISDBHSA-N 0 2 341.794 2.909 20 30 EFEDLN C#C[C@H]([NH2+][C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC001602679539 1096349007 /nfs/dbraw/zinc/34/90/07/1096349007.db2.gz YEIMKHNOJBRYPS-MELADBBJSA-N 0 2 327.302 2.602 20 30 EFEDLN C#CC[N@@H+](CC(=O)c1cc(C(=O)[O-])[nH]c1C)[C@H]1CCc2ccccc21 ZINC001602719518 1096356950 /nfs/dbraw/zinc/35/69/50/1096356950.db2.gz OJRHNZHBMUNZOU-SFHVURJKSA-N 0 2 336.391 2.827 20 30 EFEDLN C#CC[N@H+](CC(=O)c1cc(C(=O)[O-])[nH]c1C)[C@H]1CCc2ccccc21 ZINC001602719518 1096356957 /nfs/dbraw/zinc/35/69/57/1096356957.db2.gz OJRHNZHBMUNZOU-SFHVURJKSA-N 0 2 336.391 2.827 20 30 EFEDLN C=C[C@@H](Sc1nnc([C@@H](CC)[NH+](C)C)n1CCCC)C(=O)[O-] ZINC001602828634 1096376876 /nfs/dbraw/zinc/37/68/76/1096376876.db2.gz MHOQZVLSSRGBGL-VXGBXAGGSA-N 0 2 326.466 2.822 20 30 EFEDLN CC[C@](C)(C(=O)OC)[N@@H+](Cc1cccc(C(=O)[O-])c1C#N)CC1CC1 ZINC001609890717 1098485336 /nfs/dbraw/zinc/48/53/36/1098485336.db2.gz HAXDDXIIKQZADS-LJQANCHMSA-N 0 2 344.411 2.810 20 30 EFEDLN CC[C@](C)(C(=O)OC)[N@H+](Cc1cccc(C(=O)[O-])c1C#N)CC1CC1 ZINC001609890717 1098485338 /nfs/dbraw/zinc/48/53/38/1098485338.db2.gz HAXDDXIIKQZADS-LJQANCHMSA-N 0 2 344.411 2.810 20 30 EFEDLN C=C(C)CN1CC[C@]2(CCN(C(=O)c3cccc(Cl)c3O)C2)C1=O ZINC001269982582 1098559247 /nfs/dbraw/zinc/55/92/47/1098559247.db2.gz DEJJHZVUCPPHCT-GOSISDBHSA-N 0 2 348.830 2.686 20 30 EFEDLN C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cccc(Cl)c1O ZINC001269982790 1098559754 /nfs/dbraw/zinc/55/97/54/1098559754.db2.gz ILDTYKOKXLHSOB-HUUCEWRRSA-N 0 2 348.830 2.827 20 30 EFEDLN C=C(C)CN1CC[C@]2(CCCN2C(=O)c2cccc(Cl)c2O)C1=O ZINC001269983430 1098566564 /nfs/dbraw/zinc/56/65/64/1098566564.db2.gz QEKLKGPSYKQLKL-GOSISDBHSA-N 0 2 348.830 2.829 20 30 EFEDLN C[C@@H](CNc1cccc(F)c1C#N)N(C)C(=O)C(F)C(F)(F)F ZINC001104847801 1098758956 /nfs/dbraw/zinc/75/89/56/1098758956.db2.gz NQLKRLVKDRJDHS-QPUJVOFHSA-N 0 2 335.276 2.857 20 30 EFEDLN C[C@@H](CNc1cccc(F)c1C#N)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC001104847801 1098758967 /nfs/dbraw/zinc/75/89/67/1098758967.db2.gz NQLKRLVKDRJDHS-QPUJVOFHSA-N 0 2 335.276 2.857 20 30 EFEDLN COCc1ncc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2Cl)s1 ZINC000796796880 1099467396 /nfs/dbraw/zinc/46/73/96/1099467396.db2.gz FFCAYAZVZSWTRJ-SECBINFHSA-N 0 2 349.799 2.904 20 30 EFEDLN Cc1cc2c(NC(=O)c3cc(F)c(O)c(F)c3)n[nH]c2cc1C#N ZINC001628455268 1100103857 /nfs/dbraw/zinc/10/38/57/1100103857.db2.gz AWKULAMBGVUXAO-UHFFFAOYSA-N 0 2 328.278 2.979 20 30 EFEDLN C=CCOC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000785407054 1100472280 /nfs/dbraw/zinc/47/22/80/1100472280.db2.gz CUMTXGZQLJAUIB-UHFFFAOYSA-N 0 2 339.394 2.597 20 30 EFEDLN O=[N+]([O-])c1ccc(C=NN2C(=S)N=NC2c2cccs2)cc1O ZINC000748131610 1102665493 /nfs/dbraw/zinc/66/54/93/1102665493.db2.gz LEXRNQLDLRLYQY-UHFFFAOYSA-N 0 2 347.381 2.791 20 30 EFEDLN Cc1nc(NC2CC(N(C)C(=O)C(F)C(F)(F)F)C2)ccc1C#N ZINC001127084558 1104091967 /nfs/dbraw/zinc/09/19/67/1104091967.db2.gz HAIDXJBFELVCHS-XIVSLSHWSA-N 0 2 344.312 2.563 20 30 EFEDLN Cc1nc(NC2CC(N(C)C(=O)[C@H](F)C(F)(F)F)C2)ccc1C#N ZINC001127084558 1104091980 /nfs/dbraw/zinc/09/19/80/1104091980.db2.gz HAIDXJBFELVCHS-XIVSLSHWSA-N 0 2 344.312 2.563 20 30 EFEDLN CN(C(=O)C(F)C(F)(F)F)C1CC(Nc2cccc(F)c2C#N)C1 ZINC001127085339 1104098299 /nfs/dbraw/zinc/09/82/99/1104098299.db2.gz TVBKZSZXZMNHGC-KJHLLKJSSA-N 0 2 347.287 2.999 20 30 EFEDLN CN(C(=O)[C@@H](F)C(F)(F)F)C1CC(Nc2cccc(F)c2C#N)C1 ZINC001127085339 1104098318 /nfs/dbraw/zinc/09/83/18/1104098318.db2.gz TVBKZSZXZMNHGC-KJHLLKJSSA-N 0 2 347.287 2.999 20 30 EFEDLN CNC(=O)CC1SC(=Nc2cccc(F)c2)N(C2CC=CC2)C1=O ZINC000906551749 1104302143 /nfs/dbraw/zinc/30/21/43/1104302143.db2.gz RYQYVRMFMOSXLZ-AWEZNQCLSA-N 0 2 347.415 2.612 20 30 EFEDLN CNC(=O)C[C@@H]1SC(=Nc2cccc(F)c2)N(C2CC=CC2)C1=O ZINC000906551749 1104302151 /nfs/dbraw/zinc/30/21/51/1104302151.db2.gz RYQYVRMFMOSXLZ-AWEZNQCLSA-N 0 2 347.415 2.612 20 30 EFEDLN N#Cc1c(F)cccc1N1CC[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001101064825 1108894278 /nfs/dbraw/zinc/89/42/78/1108894278.db2.gz VYPBWPOYZNTPGU-TVQRCGJNSA-N 0 2 347.287 2.540 20 30 EFEDLN N#Cc1c(F)cccc1N1CC[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001101064825 1108894302 /nfs/dbraw/zinc/89/43/02/1108894302.db2.gz VYPBWPOYZNTPGU-TVQRCGJNSA-N 0 2 347.287 2.540 20 30 EFEDLN N#Cc1ccc(NC[C@@H]2CCCN(C(=O)C(F)C(F)(F)F)C2)nc1 ZINC001060097083 1109623908 /nfs/dbraw/zinc/62/39/08/1109623908.db2.gz CFCLMSDVELGEFD-AAEUAGOBSA-N 0 2 344.312 2.504 20 30 EFEDLN N#Cc1ccc(NC[C@@H]2CCCN(C(=O)[C@H](F)C(F)(F)F)C2)nc1 ZINC001060097083 1109623909 /nfs/dbraw/zinc/62/39/09/1109623909.db2.gz CFCLMSDVELGEFD-AAEUAGOBSA-N 0 2 344.312 2.504 20 30 EFEDLN C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)C(F)C(F)(F)F ZINC001076859162 1110123170 /nfs/dbraw/zinc/12/31/70/1110123170.db2.gz ZYBSOYIHMFLLMN-UWVGGRQHSA-N 0 2 326.334 2.500 20 30 EFEDLN C=CCC(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC001076859162 1110123174 /nfs/dbraw/zinc/12/31/74/1110123174.db2.gz ZYBSOYIHMFLLMN-UWVGGRQHSA-N 0 2 326.334 2.500 20 30 EFEDLN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)C(F)C(F)(F)F ZINC001076858842 1110123402 /nfs/dbraw/zinc/12/34/02/1110123402.db2.gz OCLCACCIIAMIIK-UWVGGRQHSA-N 0 2 326.334 2.500 20 30 EFEDLN C=C(C)C(C)(C)C(=O)N[C@@H](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC001076858842 1110123403 /nfs/dbraw/zinc/12/34/03/1110123403.db2.gz OCLCACCIIAMIIK-UWVGGRQHSA-N 0 2 326.334 2.500 20 30 EFEDLN C=CCC1(C(=O)N[C@@H](C)CCNC(=O)C(F)C(F)(F)F)CCC1 ZINC001076856845 1110126056 /nfs/dbraw/zinc/12/60/56/1110126056.db2.gz FORCURDBMCYRGK-WDEREUQCSA-N 0 2 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CC(C)c1csc(C(C#N)C(=O)c2cccc(-n3cncn3)n2)n1 ZINC001343481790 1332350307 /nfs/dbraw/zinc/35/03/07/1332350307.db2.gz CZLNOUCFHBZCIF-NSHDSACASA-N 0 2 338.396 2.732 20 30 EFEDLN CC(C)c1csc([C@@H](C#N)C(=O)c2cccc(-n3cncn3)n2)n1 ZINC001343481790 1332350308 /nfs/dbraw/zinc/35/03/08/1332350308.db2.gz CZLNOUCFHBZCIF-NSHDSACASA-N 0 2 338.396 2.732 20 30 EFEDLN C[C@@H](Sc1ccc(F)cc1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC001343618313 1332363380 /nfs/dbraw/zinc/36/33/80/1332363380.db2.gz PMWVVIPDIGTFKS-MFKMUULPSA-N 0 2 331.372 2.632 20 30 EFEDLN C=C(C)Cn1c(-c2c[nH]n(CC)c2=O)nnc1N1CCC2(CCC2)C1 ZINC001343786135 1332380191 /nfs/dbraw/zinc/38/01/91/1332380191.db2.gz BBRCGUWFDQGIPF-UHFFFAOYSA-N 0 2 342.447 2.824 20 30 EFEDLN Cc1nn(C)c(Br)c1C(=O)C(C#N)c1cccc(F)n1 ZINC001344035802 1332398965 /nfs/dbraw/zinc/39/89/65/1332398965.db2.gz PALLZRXHHVCYIE-MRVPVSSYSA-N 0 2 337.152 2.515 20 30 EFEDLN CC(C)S(=O)(=O)c1cccc(C(=O)C(C#N)c2cccc(F)n2)c1 ZINC001344622923 1332467751 /nfs/dbraw/zinc/46/77/51/1332467751.db2.gz UEZJIFHGRBFRNJ-AWEZNQCLSA-N 0 2 346.383 2.893 20 30 EFEDLN Cn1cnc2cc(C(=O)[C@H](C#N)c3nc(N)c4ccccc4n3)ccc21 ZINC001346065734 1332596195 /nfs/dbraw/zinc/59/61/95/1332596195.db2.gz WVOMRXXYFSECCK-ZDUSSCGKSA-N 0 2 342.362 2.589 20 30 EFEDLN N#C[C@H](C(=O)C1Cc2ccccc2C1)c1nc(N)c2ccccc2n1 ZINC001346076695 1332597049 /nfs/dbraw/zinc/59/70/49/1332597049.db2.gz DXLSFZXZDWSBNW-MRXNPFEDSA-N 0 2 328.375 2.803 20 30 EFEDLN C=CCN(c1nnc(-c2c[nH]n(CC)c2=O)n1CC(=C)C)C1CC1 ZINC001346671752 1332671180 /nfs/dbraw/zinc/67/11/80/1332671180.db2.gz ZPWVNFJLXROURE-UHFFFAOYSA-N 0 2 328.420 2.598 20 30 EFEDLN CSc1ccc(CCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cc1 ZINC001347587051 1332758413 /nfs/dbraw/zinc/75/84/13/1332758413.db2.gz MYDIMOFTTTVSTH-AWEZNQCLSA-N 0 2 327.409 2.666 20 30 EFEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N1CCc2ccccc21 ZINC001351545912 1333247891 /nfs/dbraw/zinc/24/78/91/1333247891.db2.gz YKAHSVIHTFYFIZ-UHFFFAOYSA-N 0 2 336.399 2.747 20 30 EFEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N1CC[C@H](C(C)(C)C)C1 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EFEDLN N#Cc1cc(NC(=O)c2ncc(Br)cc2O)ccc1F ZINC001362016013 1336465217 /nfs/dbraw/zinc/46/52/17/1336465217.db2.gz DQCCIMXCMHHMFD-UHFFFAOYSA-N 0 2 336.120 2.813 20 30 EFEDLN CC(C)C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(Cl)cc1 ZINC001363734790 1337017945 /nfs/dbraw/zinc/01/79/45/1337017945.db2.gz MVTLDYRBDPOSIE-AWEZNQCLSA-N 0 2 346.818 2.798 20 30 EFEDLN C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1c1ncc(C#N)cc1Cl ZINC001365231004 1337216620 /nfs/dbraw/zinc/21/66/20/1337216620.db2.gz FNNFHGWVIGOKNN-KWQFWETISA-N 0 2 346.740 2.642 20 30 EFEDLN CC(=NNc1cc[nH+]c2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000735450862 1426629182 /nfs/dbraw/zinc/62/91/82/1426629182.db2.gz HBELXNQBPHTLNU-UHFFFAOYSA-N 0 2 329.367 2.673 20 30 EFEDLN CCn1c(=O)c2ccc(C(=O)O[C@H]3CC[C@@H](C#N)C3)cc2[nH]c1=S ZINC000179949605 1426313478 /nfs/dbraw/zinc/31/34/78/1426313478.db2.gz BIIAHTMHFDUHLE-PWSUYJOCSA-N 0 2 343.408 2.554 20 30 EFEDLN CCn1c(=O)c2ccc(C(=O)O[C@@H]3CC[C@@H](C#N)C3)cc2[nH]c1=S ZINC000179949590 1426313898 /nfs/dbraw/zinc/31/38/98/1426313898.db2.gz BIIAHTMHFDUHLE-ZYHUDNBSSA-N 0 2 343.408 2.554 20 30 EFEDLN CC[C@H](C#N)Oc1cccc(CNc2[nH+]ccc(C)c2-c2nnn[n-]2)c1 ZINC000825039185 1427327615 /nfs/dbraw/zinc/32/76/15/1427327615.db2.gz NXHNSBNRSDGNJJ-CQSZACIVSA-N 0 2 349.398 2.863 20 30 EFEDLN CC(=NNc1cc[nH+]c2ccccc12)c1ccc(-c2nnn[n-]2)s1 ZINC000823963226 1442200020 /nfs/dbraw/zinc/20/00/20/1442200020.db2.gz YMPWNAYUPOCIMJ-UHFFFAOYSA-N 0 2 335.396 2.734 20 30 EFEDLN O=C1C[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)CN1c1ccccc1 ZINC000255028355 713327606 /nfs/dbraw/zinc/32/76/06/713327606.db2.gz JKFLRZAOGYXWDL-VQIMKDEXSA-N 0 2 325.324 2.525 20 30 EFEDLN CNC(=O)CC1SC(=Nc2ccccc2F)N(CC2CCC2)C1=O ZINC000255048570 713412427 /nfs/dbraw/zinc/41/24/27/713412427.db2.gz SCUSKFIYFKVFBS-AWEZNQCLSA-N 0 2 349.431 2.693 20 30 EFEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CC2CCC2)C1=O ZINC000255048570 713412428 /nfs/dbraw/zinc/41/24/28/713412428.db2.gz SCUSKFIYFKVFBS-AWEZNQCLSA-N 0 2 349.431 2.693 20 30 EFEDLN 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ZINC000180774863 718374207 /nfs/dbraw/zinc/37/42/07/718374207.db2.gz AJGIHGVXYVTWDF-QGZVFWFLSA-N 0 2 336.395 2.644 20 30 EFEDLN C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1cc(C(C)C)[nH]n1 ZINC001025270071 718496891 /nfs/dbraw/zinc/49/68/91/718496891.db2.gz ABJHBGGRUOTHLD-MSOLQXFVSA-N 0 2 328.460 2.625 20 30 EFEDLN C/N=C1/SC(CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C ZINC000136199631 719305955 /nfs/dbraw/zinc/30/59/55/719305955.db2.gz OBLIMYQCBXCVKF-QPQCVSCISA-N 0 2 325.821 2.537 20 30 EFEDLN Cc1ccc(SCCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cc1 ZINC000122712638 719718818 /nfs/dbraw/zinc/71/88/18/719718818.db2.gz MDQOXJIWWXXGQT-CQSZACIVSA-N 0 2 327.409 2.803 20 30 EFEDLN N#C[C@H](C(=O)C1=CCCCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000122720673 719718892 /nfs/dbraw/zinc/71/88/92/719718892.db2.gz VAWZYQUUFWYRRN-CQSZACIVSA-N 0 2 334.383 2.874 20 30 EFEDLN C=CC/N=C1\NC(=O)C(CC(=O)Nc2ccc3ccccc3c2)S1 ZINC000007850716 724685818 /nfs/dbraw/zinc/68/58/18/724685818.db2.gz XLMXBRGUIXGZII-OAHLLOKOSA-N 0 2 339.420 2.942 20 30 EFEDLN C/N=C1\SC(CC(=O)Nc2cccc(Cl)c2C)C(=O)N1C ZINC000007883685 724730468 /nfs/dbraw/zinc/73/04/68/724730468.db2.gz OBLIMYQCBXCVKF-NLPIWRNCSA-N 0 2 325.821 2.537 20 30 EFEDLN COc1cc(C=NNc2cccc([N+](=O)[O-])c2C)cc([N+](=O)[O-])c1O ZINC000727972987 723544542 /nfs/dbraw/zinc/54/45/42/723544542.db2.gz OBKJZKIWJIWTSY-UHFFFAOYSA-N 0 2 346.299 2.972 20 30 EFEDLN C=CCOC[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)OC ZINC000796014681 723563523 /nfs/dbraw/zinc/56/35/23/723563523.db2.gz JLUSKDWPRVOVMW-GFCCVEGCSA-N 0 2 334.199 2.533 20 30 EFEDLN C=CCOC[C@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)OC ZINC000796014689 723564044 /nfs/dbraw/zinc/56/40/44/723564044.db2.gz JLUSKDWPRVOVMW-LBPRGKRZSA-N 0 2 334.199 2.533 20 30 EFEDLN C=CCn1c(=O)c2ccc(C(=O)NCCC3CC3)cc2[nH]c1=S ZINC000174677124 725619505 /nfs/dbraw/zinc/61/95/05/725619505.db2.gz LCTYEXZIBUQSLH-UHFFFAOYSA-N 0 2 329.425 2.775 20 30 EFEDLN CNC(=O)CC1SC(=Nc2ccc(C)cc2)N(C2CCC2)C1=O ZINC000730460748 726136960 /nfs/dbraw/zinc/13/69/60/726136960.db2.gz 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COc1cc(C#N)ccc1NS(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000766062411 577103011 /nfs/dbraw/zinc/10/30/11/577103011.db2.gz AQXFFBHQHCABFO-UHFFFAOYSA-N 0 2 337.788 2.725 20 30 EFEDLN CSc1ccc(S(=O)(=O)Nc2cnn(CC#N)c2)cc1Cl ZINC000766363040 577140229 /nfs/dbraw/zinc/14/02/29/577140229.db2.gz VOMJOIICCZHFRF-UHFFFAOYSA-N 0 2 342.833 2.583 20 30 EFEDLN CC1C([NH2+]Nc2ccccc2C(=O)[O-])=CC(=O)N1C(=O)OC(C)(C)C ZINC000766431383 577149314 /nfs/dbraw/zinc/14/93/14/577149314.db2.gz NBDQJMIKAPMBLS-JTQLQIEISA-N 0 2 347.371 2.709 20 30 EFEDLN COc1cc2c(cc1N=Cc1cc([N+](=O)[O-])ccc1O)NC(=O)CC2 ZINC000767337662 577204975 /nfs/dbraw/zinc/20/49/75/577204975.db2.gz MXQAPXQCRDCHPZ-UHFFFAOYSA-N 0 2 341.323 2.944 20 30 EFEDLN Cc1nnc(NN=C2CCCOc3ccc(C(C)C)cc32)[nH]c1=O ZINC000767762379 577232362 /nfs/dbraw/zinc/23/23/62/577232362.db2.gz UYJGNOUMPOXOAK-UHFFFAOYSA-N 0 2 327.388 2.998 20 30 EFEDLN CSCCNC(=S)NN=Cc1cc(Cl)cc(Cl)c1O ZINC000769598850 577373968 /nfs/dbraw/zinc/37/39/68/577373968.db2.gz JUGAXTZTUKWICY-UHFFFAOYSA-N 0 2 338.285 2.860 20 30 EFEDLN CN(C)c1ccc(C(O)=C(C#N)C(=O)NC2CCCCC2)cc1F ZINC000770101078 577402140 /nfs/dbraw/zinc/40/21/40/577402140.db2.gz XAJZFYGZKPJXKJ-AWEZNQCLSA-N 0 2 331.391 2.663 20 30 EFEDLN Cc1ccc(C(O)=C(C#N)C(=O)c2nccn2C)cc1-n1cccc1 ZINC000770860992 581142571 /nfs/dbraw/zinc/14/25/71/581142571.db2.gz CMQGKJUDKTZHBZ-OAHLLOKOSA-N 0 2 332.363 2.725 20 30 EFEDLN Cc1ccc(CCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cc1Cl ZINC000770869541 581143717 /nfs/dbraw/zinc/14/37/17/581143717.db2.gz ZMTNRLOHVGSVTA-CYBMUJFWSA-N 0 2 329.787 2.906 20 30 EFEDLN Cc1ccc2c(CCC(=O)C(C#N)=C([O-])c3[nH+]ccn3C)c[nH]c2c1 ZINC000770875524 581144555 /nfs/dbraw/zinc/14/45/55/581144555.db2.gz BLAXIBGCWBLEMH-HNNXBMFYSA-N 0 2 334.379 2.734 20 30 EFEDLN O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)C(F)(F)C(F)F ZINC000770886741 581146377 /nfs/dbraw/zinc/14/63/77/581146377.db2.gz XWTKMGYNHSNGEN-MRVPVSSYSA-N 0 2 333.203 2.755 20 30 EFEDLN C=CCn1c(C2CC2)nn(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)c1=S ZINC000736117449 599934323 /nfs/dbraw/zinc/93/43/23/599934323.db2.gz KGAGOLQVSLPKPL-NSHDSACASA-N 0 2 336.461 2.620 20 30 EFEDLN C=CCn1c(C2CC2)nn(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)c1=S ZINC000736117449 599934326 /nfs/dbraw/zinc/93/43/26/599934326.db2.gz KGAGOLQVSLPKPL-NSHDSACASA-N 0 2 336.461 2.620 20 30 EFEDLN O=C([O-])c1cccc(C#Cc2cccc(NC(=O)Cn3cc[nH+]c3)c2)c1 ZINC000833122825 600880080 /nfs/dbraw/zinc/88/00/80/600880080.db2.gz TWCBFDXVXPTVNT-UHFFFAOYSA-N 0 2 345.358 2.620 20 30 EFEDLN CC(C)[N@H+](CC(=O)[O-])CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000820015420 601113560 /nfs/dbraw/zinc/11/35/60/601113560.db2.gz SKFODZHWSOFZHI-UHFFFAOYSA-N 0 2 327.384 2.533 20 30 EFEDLN CC(C)[N@@H+](CC(=O)[O-])CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000820015420 601113561 /nfs/dbraw/zinc/11/35/61/601113561.db2.gz SKFODZHWSOFZHI-UHFFFAOYSA-N 0 2 327.384 2.533 20 30 EFEDLN CCn1c(=O)c2ccc(C(=O)OCCCCC#N)cc2[nH]c1=S ZINC000733866764 1265449751 /nfs/dbraw/zinc/44/97/51/1265449751.db2.gz MRAKTQDVPUGMCU-UHFFFAOYSA-N 0 2 331.397 2.556 20 30 EFEDLN C=CC(C)(C)CCOC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000851299150 1250919304 /nfs/dbraw/zinc/91/93/04/1250919304.db2.gz ZMUYBOMBTYJICT-UHFFFAOYSA-N 0 2 332.425 2.981 20 30 EFEDLN C=C(C)CCC(=O)N1CCC[C@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001755917583 1251768643 /nfs/dbraw/zinc/76/86/43/1251768643.db2.gz RUDOGBKJYBGNQV-WCQYABFASA-N 0 2 338.345 2.693 20 30 EFEDLN C=C(C)CCC(=O)N1CCC[C@H]1CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001755917583 1251768657 /nfs/dbraw/zinc/76/86/57/1251768657.db2.gz RUDOGBKJYBGNQV-WCQYABFASA-N 0 2 338.345 2.693 20 30 EFEDLN CC#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998115970 1259130865 /nfs/dbraw/zinc/13/08/65/1259130865.db2.gz MFVFNORCPIAVAR-SJORKVTESA-N 0 2 342.487 2.556 20 30 EFEDLN C=CC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC001062247314 1260331523 /nfs/dbraw/zinc/33/15/23/1260331523.db2.gz YOFMRBCLRPQWMC-GHMZBOCLSA-N 0 2 338.345 2.596 20 30 EFEDLN C=CC(C)(C)C(=O)NC[C@H]1CCCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001062247314 1260331526 /nfs/dbraw/zinc/33/15/26/1260331526.db2.gz YOFMRBCLRPQWMC-GHMZBOCLSA-N 0 2 338.345 2.596 20 30 EFEDLN C=C(C)CCC(=O)NC[C@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC001062247221 1260331810 /nfs/dbraw/zinc/33/18/10/1260331810.db2.gz UVPJNOLMAJXBGX-DGCLKSJQSA-N 0 2 338.345 2.740 20 30 EFEDLN C=C(C)CCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001062247221 1260331822 /nfs/dbraw/zinc/33/18/22/1260331822.db2.gz UVPJNOLMAJXBGX-DGCLKSJQSA-N 0 2 338.345 2.740 20 30 EFEDLN C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1cnc(CCCC)[nH]1)CC2 ZINC001272833897 1261126191 /nfs/dbraw/zinc/12/61/91/1261126191.db2.gz QMPCMRYOUWEQBR-MRXNPFEDSA-N 0 2 330.476 2.657 20 30 EFEDLN C=CCC(C)(C)C(=O)NCC1(NC(=O)C(F)C(F)(F)F)CCC1 ZINC001063061544 1262247910 /nfs/dbraw/zinc/24/79/10/1262247910.db2.gz NNQOSPLKJJTURX-JTQLQIEISA-N 0 2 338.345 2.644 20 30 EFEDLN C=CCC(C)(C)C(=O)NCC1(NC(=O)[C@H](F)C(F)(F)F)CCC1 ZINC001063061544 1262247917 /nfs/dbraw/zinc/24/79/17/1262247917.db2.gz NNQOSPLKJJTURX-JTQLQIEISA-N 0 2 338.345 2.644 20 30 EFEDLN N#Cc1c(F)cccc1NC[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001061009427 1262360825 /nfs/dbraw/zinc/36/08/25/1262360825.db2.gz ATNMRNZNBYTFNO-TVQRCGJNSA-N 0 2 347.287 2.858 20 30 EFEDLN N#Cc1c(F)cccc1NC[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001061009427 1262360829 /nfs/dbraw/zinc/36/08/29/1262360829.db2.gz ATNMRNZNBYTFNO-TVQRCGJNSA-N 0 2 347.287 2.858 20 30 EFEDLN CSc1[nH]c(=O)c(C(=O)Nc2cccc3ocnc32)cc1C#N ZINC001128193382 1263597802 /nfs/dbraw/zinc/59/78/02/1263597802.db2.gz ORYMQVDUXCYHIX-UHFFFAOYSA-N 0 2 326.337 2.774 20 30 EFEDLN C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)C(F)C(F)(F)F)CC1 ZINC001066235302 1266768532 /nfs/dbraw/zinc/76/85/32/1266768532.db2.gz FXTCVEKMOICBNB-QWRGUYRKSA-N 0 2 338.345 2.596 20 30 EFEDLN C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001066235302 1266768538 /nfs/dbraw/zinc/76/85/38/1266768538.db2.gz FXTCVEKMOICBNB-QWRGUYRKSA-N 0 2 338.345 2.596 20 30 EFEDLN N#Cc1ccc(NCC2(CCNC(=O)C(F)C(F)(F)F)CC2)nc1 ZINC001090006707 1264757426 /nfs/dbraw/zinc/75/74/26/1264757426.db2.gz KAFKKLPHTUIBGT-LBPRGKRZSA-N 0 2 344.312 2.552 20 30 EFEDLN N#Cc1ccc(NCC2(CCNC(=O)[C@H](F)C(F)(F)F)CC2)nc1 ZINC001090006707 1264757427 /nfs/dbraw/zinc/75/74/27/1264757427.db2.gz KAFKKLPHTUIBGT-LBPRGKRZSA-N 0 2 344.312 2.552 20 30 EFEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)CCc2csc(C)n2)n1 ZINC000733685845 1265356937 /nfs/dbraw/zinc/35/69/37/1265356937.db2.gz ZKQOJAOZAUHYEZ-LLVKDONJSA-N 0 2 349.437 2.894 20 30 EFEDLN CC[C@H](C)CN(C)c1ccc(F)cc1C=[NH+]Nc1nnc(C)c(=O)[n-]1 ZINC000734745869 1267086695 /nfs/dbraw/zinc/08/66/95/1267086695.db2.gz BLDIREZOCLACRC-NSHDSACASA-N 0 2 346.410 2.953 20 30 EFEDLN Cc1cccc2[nH]c([C@@H](C#N)C(=O)COc3ccccc3C#N)nc21 ZINC000735791416 1267424316 /nfs/dbraw/zinc/42/43/16/1267424316.db2.gz YFVRQDLQOVTQLC-AWEZNQCLSA-N 0 2 330.347 2.998 20 30 EFEDLN Cc1cccc2nc(C(C#N)C(=O)COc3ccccc3C#N)[nH]c21 ZINC000735791416 1267424322 /nfs/dbraw/zinc/42/43/22/1267424322.db2.gz YFVRQDLQOVTQLC-AWEZNQCLSA-N 0 2 330.347 2.998 20 30 EFEDLN Cc1cccc2nc([C@@H](C#N)C(=O)COc3ccccc3C#N)[nH]c21 ZINC000735791416 1267424326 /nfs/dbraw/zinc/42/43/26/1267424326.db2.gz YFVRQDLQOVTQLC-AWEZNQCLSA-N 0 2 330.347 2.998 20 30 EFEDLN N#CC(C(=O)CNC(=O)Nc1ccccc1)c1cnc2ccccc2n1 ZINC000792105306 1278546251 /nfs/dbraw/zinc/54/62/51/1278546251.db2.gz UROMYLSELIHWGX-AWEZNQCLSA-N 0 2 345.362 2.628 20 30 EFEDLN C[C@H](CCCCNc1ccc(C#N)nc1)NC(=O)C(F)C(F)(F)F ZINC001090163071 1270633259 /nfs/dbraw/zinc/63/32/59/1270633259.db2.gz ZTLAMFMEAQZTAN-ZWNOBZJWSA-N 0 2 346.328 2.941 20 30 EFEDLN C[C@H](CCCCNc1ccc(C#N)nc1)NC(=O)[C@@H](F)C(F)(F)F ZINC001090163071 1270633268 /nfs/dbraw/zinc/63/32/68/1270633268.db2.gz ZTLAMFMEAQZTAN-ZWNOBZJWSA-N 0 2 346.328 2.941 20 30 EFEDLN COc1ccccc1NC(=O)C(C#N)C(=O)c1scnc1Cl ZINC000744936907 1271252422 /nfs/dbraw/zinc/25/24/22/1271252422.db2.gz YNSLYXVMCFXKPA-MRVPVSSYSA-N 0 2 335.772 2.766 20 30 EFEDLN CC(=O)Nc1ccc(CC/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000103348634 1273092115 /nfs/dbraw/zinc/09/21/15/1273092115.db2.gz UXEBJNAEHJTBDT-WOJGMQOQSA-N 0 2 327.340 2.920 20 30 EFEDLN CSc1[nH]c(=O)c(C(=O)Nc2cc(C)nc(C(C)C)n2)cc1C#N ZINC001411276865 1273793996 /nfs/dbraw/zinc/79/39/96/1273793996.db2.gz UNTKJWMOEBMQMA-UHFFFAOYSA-N 0 2 343.412 2.855 20 30 EFEDLN C[C@H](CN(C)c1cccc(F)c1C#N)NC(=O)[C@@H](F)C(F)(F)F ZINC001109275452 1274079153 /nfs/dbraw/zinc/07/91/53/1274079153.db2.gz QCFTYRNPSFPNEW-PRHODGIISA-N 0 2 335.276 2.539 20 30 EFEDLN C[C@H](CN(C)c1cccc(F)c1C#N)NC(=O)C(F)C(F)(F)F ZINC001109275452 1274079143 /nfs/dbraw/zinc/07/91/43/1274079143.db2.gz QCFTYRNPSFPNEW-PRHODGIISA-N 0 2 335.276 2.539 20 30 EFEDLN C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001109433304 1274270344 /nfs/dbraw/zinc/27/03/44/1274270344.db2.gz INYQYIPRPGUPDA-OWSLCNJRSA-N 0 2 330.476 2.768 20 30 EFEDLN N#Cc1c(F)cccc1NC[C@@H](NC(=O)C(F)C(F)(F)F)C1CC1 ZINC001110000236 1274964778 /nfs/dbraw/zinc/96/47/78/1274964778.db2.gz JKXLDGGDABAMKN-CHWSQXEVSA-N 0 2 347.287 2.904 20 30 EFEDLN N#Cc1c(F)cccc1NC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001110000236 1274964784 /nfs/dbraw/zinc/96/47/84/1274964784.db2.gz JKXLDGGDABAMKN-CHWSQXEVSA-N 0 2 347.287 2.904 20 30 EFEDLN C=C[C@](C)(CC)COC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000786531402 1275421129 /nfs/dbraw/zinc/42/11/29/1275421129.db2.gz YSEGMJGIRNKYLT-QGZVFWFLSA-N 0 2 332.425 2.981 20 30 EFEDLN CC(=NN[C@H]1CCOC1)c1cc(Br)cc(Cl)c1O ZINC000788445558 1276174782 /nfs/dbraw/zinc/17/47/82/1276174782.db2.gz HRHJDFQKRAONSV-VIFPVBQESA-N 0 2 333.613 2.911 20 30 EFEDLN O=C(CC1SC(=Nc2ccsc2)N(C2CC2)C1=O)NC1CC1 ZINC000790759900 1277745943 /nfs/dbraw/zinc/74/59/43/1277745943.db2.gz KCGBJRBYWSJYJM-LBPRGKRZSA-N 0 2 335.454 2.511 20 30 EFEDLN O=C(C[C@@H]1SC(=Nc2ccsc2)N(C2CC2)C1=O)NC1CC1 ZINC000790759900 1277745949 /nfs/dbraw/zinc/74/59/49/1277745949.db2.gz KCGBJRBYWSJYJM-LBPRGKRZSA-N 0 2 335.454 2.511 20 30 EFEDLN O=C(CC1SC(=Nc2ccsc2)N(C2CCC2)C1=O)NC1CC1 ZINC000790734966 1277753660 /nfs/dbraw/zinc/75/36/60/1277753660.db2.gz CIPAPJSPDVKLEX-ZDUSSCGKSA-N 0 2 349.481 2.901 20 30 EFEDLN O=C(C[C@@H]1SC(=Nc2ccsc2)N(C2CCC2)C1=O)NC1CC1 ZINC000790734966 1277753666 /nfs/dbraw/zinc/75/36/66/1277753666.db2.gz CIPAPJSPDVKLEX-ZDUSSCGKSA-N 0 2 349.481 2.901 20 30 EFEDLN CNC(=O)CC1SC(=Nc2ccsc2)N(Cc2ccco2)C1=O ZINC000790737679 1277754189 /nfs/dbraw/zinc/75/41/89/1277754189.db2.gz VRBSOSQHOOTZKF-GFCCVEGCSA-N 0 2 349.437 2.609 20 30 EFEDLN CNC(=O)C[C@H]1SC(=Nc2ccsc2)N(Cc2ccco2)C1=O ZINC000790737679 1277754194 /nfs/dbraw/zinc/75/41/94/1277754194.db2.gz VRBSOSQHOOTZKF-GFCCVEGCSA-N 0 2 349.437 2.609 20 30 EFEDLN COC(=O)c1nn(C)c(C)c1/C=C/C(=O)c1ccc(O)c(Cl)c1 ZINC000792891407 1279246877 /nfs/dbraw/zinc/24/68/77/1279246877.db2.gz UUICDTNCMCKKFV-FNORWQNLSA-N 0 2 334.759 2.770 20 30 EFEDLN CCCCCN1c2ccccc2C(=NNc2ncncc2F)C1=O ZINC000793209916 1279468142 /nfs/dbraw/zinc/46/81/42/1279468142.db2.gz CVZKGQXQZKYBCW-UHFFFAOYSA-N 0 2 327.363 2.969 20 30 EFEDLN C[C@H](Cc1cncc2ccccc21)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000805898533 1280857231 /nfs/dbraw/zinc/85/72/31/1280857231.db2.gz OHDFSMWMJSYXML-CXAGYDPISA-N 0 2 346.390 2.739 20 30 EFEDLN N#CC(C(=O)[C@@H]1CC12CCCC2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000747480787 1281654744 /nfs/dbraw/zinc/65/47/44/1281654744.db2.gz VWVGSDMZXGAGQA-KGLIPLIRSA-N 0 2 348.410 2.954 20 30 EFEDLN N#C[C@H](C(=O)[C@@H]1CC12CCCC2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000747480787 1281654762 /nfs/dbraw/zinc/65/47/62/1281654762.db2.gz VWVGSDMZXGAGQA-KGLIPLIRSA-N 0 2 348.410 2.954 20 30 EFEDLN N#CC(C(=O)C[C@@H]1CCCC(=O)N1)c1nc2cc(F)ccc2s1 ZINC000808983467 1281981693 /nfs/dbraw/zinc/98/16/93/1281981693.db2.gz GQXGTZXEFLTPEX-QWRGUYRKSA-N 0 2 331.372 2.670 20 30 EFEDLN N#C[C@@H](C(=O)C[C@@H]1CCCC(=O)N1)c1nc2cc(F)ccc2s1 ZINC000808983467 1281981701 /nfs/dbraw/zinc/98/17/01/1281981701.db2.gz GQXGTZXEFLTPEX-QWRGUYRKSA-N 0 2 331.372 2.670 20 30 EFEDLN N#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001093369615 1283800026 /nfs/dbraw/zinc/80/00/26/1283800026.db2.gz FEZLEIUNNWBKTE-STQMWFEESA-N 0 2 347.356 2.503 20 30 EFEDLN N#CCN1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001093369615 1283800035 /nfs/dbraw/zinc/80/00/35/1283800035.db2.gz FEZLEIUNNWBKTE-STQMWFEESA-N 0 2 347.356 2.503 20 30 EFEDLN O=C(N[C@@H](CO)c1ccc(C(F)(F)F)cc1)C(F)C(F)(F)F ZINC000810941071 1283847880 /nfs/dbraw/zinc/84/78/80/1283847880.db2.gz OVDDYWHEGNKRRY-DTWKUNHWSA-N 0 2 333.203 2.755 20 30 EFEDLN O=C(N[C@@H](CO)c1ccc(C(F)(F)F)cc1)[C@@H](F)C(F)(F)F ZINC000810941071 1283847891 /nfs/dbraw/zinc/84/78/91/1283847891.db2.gz OVDDYWHEGNKRRY-DTWKUNHWSA-N 0 2 333.203 2.755 20 30 EFEDLN O=C1C[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)CN1c1ccccc1F ZINC000812444951 1285140786 /nfs/dbraw/zinc/14/07/86/1285140786.db2.gz PVXWWVMKXLQYLS-AOPUEWEHSA-N 0 2 343.314 2.664 20 30 EFEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@@H]2CCC[C@H](OC)C2)n1 ZINC000815923606 1287892734 /nfs/dbraw/zinc/89/27/34/1287892734.db2.gz AMDCGTKBXSSGQK-GRYCIOLGSA-N 0 2 336.413 2.701 20 30 EFEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H]2CCC[C@H](OC)C2)n1 ZINC000815923606 1287892744 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Cc1cc(NS(=O)(=O)c2cc(C#N)ccc2F)n(CC2CCC2)n1 ZINC001190619342 1292228762 /nfs/dbraw/zinc/22/87/62/1292228762.db2.gz IJZWZDZQMJJIHI-UHFFFAOYSA-N 0 2 348.403 2.803 20 30 EFEDLN COc1ccc(NS(=O)(=O)c2cc(C#N)ccc2F)cc1OC ZINC001190647919 1292264184 /nfs/dbraw/zinc/26/41/84/1292264184.db2.gz MPVNCILHPUQALR-UHFFFAOYSA-N 0 2 336.344 2.515 20 30 EFEDLN C#CCOc1ccc(NS(=O)(=O)c2cc(C#N)ccc2F)cc1 ZINC001190650744 1292264735 /nfs/dbraw/zinc/26/47/35/1292264735.db2.gz KXGIMKNPVDQGLG-UHFFFAOYSA-N 0 2 330.340 2.510 20 30 EFEDLN CCOC(=O)c1cccc(NS(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190650891 1292265614 /nfs/dbraw/zinc/26/56/14/1292265614.db2.gz NVTCQCMDZTVTJP-UHFFFAOYSA-N 0 2 348.355 2.675 20 30 EFEDLN N#Cc1ccc(F)c(S(=O)(=O)Nc2ccc3c(c2)[C@@H](O)CCC3)c1 ZINC001190655353 1292268701 /nfs/dbraw/zinc/26/87/01/1292268701.db2.gz DTPODZZBNDMKNX-INIZCTEOSA-N 0 2 346.383 2.868 20 30 EFEDLN N#Cc1ccc(-c2csc(NS(=O)(=O)c3ccncc3)n2)s1 ZINC001190862727 1292351361 /nfs/dbraw/zinc/35/13/61/1292351361.db2.gz 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KRJXRTFOWMJYTN-JTQLQIEISA-N 0 2 349.437 2.894 20 30 EFEDLN CCCCCCCC(=O)c1ccc(O)c(C(=O)NCCC(N)=O)c1 ZINC001197364736 1294514019 /nfs/dbraw/zinc/51/40/19/1294514019.db2.gz BOUXZCRZMHIGKU-UHFFFAOYSA-N 0 2 334.416 2.541 20 30 EFEDLN COc1cccc(CS(=O)(=O)Nc2ccc(OC)cc2C#N)c1 ZINC001197376798 1294535658 /nfs/dbraw/zinc/53/56/58/1294535658.db2.gz KRXSYUOQOGONSH-UHFFFAOYSA-N 0 2 332.381 2.517 20 30 EFEDLN Cc1cnc(C#N)c(NS(=O)(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC001197646002 1294641497 /nfs/dbraw/zinc/64/14/97/1294641497.db2.gz LHBRIHNLZUQYIU-UHFFFAOYSA-N 0 2 339.779 2.996 20 30 EFEDLN Cn1cnc(NS(=O)(=O)Cc2cccc(Cl)c2Cl)c1C#N ZINC001197726452 1294696178 /nfs/dbraw/zinc/69/61/78/1294696178.db2.gz TZPAROXTIYVVAQ-UHFFFAOYSA-N 0 2 345.211 2.540 20 30 EFEDLN Cc1ncc(S(=O)(=O)Nc2ccc(C#N)c3ccccc23)n1C ZINC001198343480 1295001653 /nfs/dbraw/zinc/00/16/53/1295001653.db2.gz IWHSVZXEUBTYSM-UHFFFAOYSA-N 0 2 326.381 2.554 20 30 EFEDLN O=C(N[C@H](CO)c1ccccc1C(F)(F)F)C(F)C(F)(F)F ZINC000886565091 1295024733 /nfs/dbraw/zinc/02/47/33/1295024733.db2.gz LSBMCHUDEZFSOA-BDAKNGLRSA-N 0 2 333.203 2.755 20 30 EFEDLN O=C(N[C@H](CO)c1ccccc1C(F)(F)F)[C@H](F)C(F)(F)F ZINC000886565091 1295024745 /nfs/dbraw/zinc/02/47/45/1295024745.db2.gz LSBMCHUDEZFSOA-BDAKNGLRSA-N 0 2 333.203 2.755 20 30 EFEDLN CCOc1ccc(NC(=O)CC2S/C(=N\[C@H](C)CC)NC2=O)cc1 ZINC000007850406 1296461199 /nfs/dbraw/zinc/46/11/99/1296461199.db2.gz QJVFEKSFWFEGJK-RISCZKNCSA-N 0 2 349.456 2.800 20 30 EFEDLN N#Cc1c(F)cccc1N1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC001095449850 1296601225 /nfs/dbraw/zinc/60/12/25/1296601225.db2.gz QPTUXMOCJGKIHS-CYBMUJFWSA-N 0 2 347.287 2.683 20 30 EFEDLN N#Cc1c(F)cccc1N1CCC(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001095449850 1296601246 /nfs/dbraw/zinc/60/12/46/1296601246.db2.gz QPTUXMOCJGKIHS-CYBMUJFWSA-N 0 2 347.287 2.683 20 30 EFEDLN Cc1ccc(S(=O)(=O)Nc2c(F)ccc(F)c2C#N)cc1C#N ZINC001201322287 1296728165 /nfs/dbraw/zinc/72/81/65/1296728165.db2.gz HWTUKQSEYUVIPL-UHFFFAOYSA-N 0 2 333.319 2.817 20 30 EFEDLN COC(=O)c1ccccc1NN=C(C)c1cc([N+](=O)[O-])ccc1O ZINC000776187138 1296818142 /nfs/dbraw/zinc/81/81/42/1296818142.db2.gz JOEGGWKLVGHTBD-UHFFFAOYSA-N 0 2 329.312 2.923 20 30 EFEDLN N#C[C@H](C(=O)C[C@H]1C=CCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049393285 1297784845 /nfs/dbraw/zinc/78/48/45/1297784845.db2.gz OSYFXIXXJWGMIG-GXTWGEPZSA-N 0 2 334.383 2.730 20 30 EFEDLN CC(C)c1csc([C@H](C#N)C(=O)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000080454795 1298464704 /nfs/dbraw/zinc/46/47/04/1298464704.db2.gz RILYDUQPYGTLAK-LLVKDONJSA-N 0 2 333.373 2.638 20 30 EFEDLN C#CCOc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000108250090 1298493967 /nfs/dbraw/zinc/49/39/67/1298493967.db2.gz UOQAZKSDLZSUNW-UHFFFAOYSA-N 0 2 341.310 2.917 20 30 EFEDLN CCC(=CC(=O)NCCCN(CC)c1cc(C#N)nc(CC)n1)CC ZINC001095857412 1298726758 /nfs/dbraw/zinc/72/67/58/1298726758.db2.gz UDCOEVDZGXHPAR-UHFFFAOYSA-N 0 2 343.475 2.990 20 30 EFEDLN C[C@@H]1CCN(Cc2cccc(C#N)c2F)C[C@@H]1NC(=O)C(F)(F)F ZINC000852757355 1299868519 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334.759 2.754 20 30 EFEDLN CCC[N@H+](CC(=O)[O-])CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000829472878 604965430 /nfs/dbraw/zinc/96/54/30/604965430.db2.gz CBCZVBZVVIYFNO-UHFFFAOYSA-N 0 2 327.384 2.534 20 30 EFEDLN CCC[N@@H+](CC(=O)[O-])CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000829472878 604965433 /nfs/dbraw/zinc/96/54/33/604965433.db2.gz CBCZVBZVVIYFNO-UHFFFAOYSA-N 0 2 327.384 2.534 20 30 EFEDLN C=CCN1C(=O)N[C@H](c2cc(-n3cc[nH+]c3)cs2)C(C(=O)[O-])=C1C ZINC000833377504 605338907 /nfs/dbraw/zinc/33/89/07/605338907.db2.gz ZKFGEGOTLGWKLG-CQSZACIVSA-N 0 2 344.396 2.545 20 30 EFEDLN COc1ccc(C#N)cc1NS(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC001771710332 1249640590 /nfs/dbraw/zinc/64/05/90/1249640590.db2.gz YSCYOEHHQAZOBI-UHFFFAOYSA-N 0 2 345.302 2.715 20 30 EFEDLN C=C(C)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001755917584 1251769152 /nfs/dbraw/zinc/76/91/52/1251769152.db2.gz RUDOGBKJYBGNQV-YPMHNXCESA-N 0 2 338.345 2.693 20 30 EFEDLN C=C(C)CCC(=O)N1CCC[C@@H]1CN(C)C(=O)[C@H](F)C(F)(F)F ZINC001755917584 1251769158 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AOVVVEOZQHWJCS-UHFFFAOYSA-N 0 2 345.355 2.559 20 30 EFEDLN O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F)C(F)(F)C(F)F ZINC000923044604 1276641922 /nfs/dbraw/zinc/64/19/22/1276641922.db2.gz NNEXEHZBBVDBEY-IUCAKERBSA-N 0 2 347.230 2.538 20 30 EFEDLN Cc1cc(=O)[nH]c(N=NC2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)n1 ZINC000819801079 1276924794 /nfs/dbraw/zinc/92/47/94/1276924794.db2.gz LZVBHTMNPNHNMJ-JTQLQIEISA-N 0 2 335.408 2.582 20 30 EFEDLN CC(=N[N-]c1[nH+]ccn1C)c1cc(Br)c(F)cc1O ZINC000790306362 1277441131 /nfs/dbraw/zinc/44/11/31/1277441131.db2.gz YNSJAPVRHSQJGU-UHFFFAOYSA-N 0 2 327.157 2.863 20 30 EFEDLN CNC(=O)CC1SC(=Nc2ccsc2)N(CC2(C)CC2)C1=O ZINC000790728374 1277750956 /nfs/dbraw/zinc/75/09/56/1277750956.db2.gz OMOFDRGFRPJLTF-NSHDSACASA-N 0 2 337.470 2.616 20 30 EFEDLN CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CC2(C)CC2)C1=O ZINC000790728374 1277750961 /nfs/dbraw/zinc/75/09/61/1277750961.db2.gz OMOFDRGFRPJLTF-NSHDSACASA-N 0 2 337.470 2.616 20 30 EFEDLN CN(CC(C)(C)CNc1ncccc1C#N)C(=O)C(F)C(F)(F)F ZINC001113463223 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COC(=O)C1(C#N)CCN(Cc2ccc(Cl)c(O)c2Cl)CC1 ZINC001232630350 1312747427 /nfs/dbraw/zinc/74/74/27/1312747427.db2.gz OZNYTKNRXDFBQM-UHFFFAOYSA-N 0 2 343.210 2.978 20 30 EFEDLN N#Cc1cccc(-c2n[nH]c(NC(=O)c3ncc(C#N)cc3Cl)n2)c1 ZINC001184469805 1290465881 /nfs/dbraw/zinc/46/58/81/1290465881.db2.gz AUVNZLOOVNWOFH-UHFFFAOYSA-N 0 2 349.741 2.516 20 30 EFEDLN N#CC1=C(Nc2cnn(CCO[C@H]3CCCCO3)c2)SCC1=O ZINC001212948697 1290918056 /nfs/dbraw/zinc/91/80/56/1290918056.db2.gz ZZERDAHMFRVSCW-AWEZNQCLSA-N 0 2 334.401 2.809 20 30 EFEDLN C[C@@H](CCCNc1ccc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001115102633 1290943182 /nfs/dbraw/zinc/94/31/82/1290943182.db2.gz UVAIMWOBTMWWDZ-JOYOIKCWSA-N 0 2 332.301 2.550 20 30 EFEDLN C[C@@H](CCCNc1ccc(C#N)cn1)NC(=O)[C@@H](F)C(F)(F)F ZINC001115102633 1290943187 /nfs/dbraw/zinc/94/31/87/1290943187.db2.gz UVAIMWOBTMWWDZ-JOYOIKCWSA-N 0 2 332.301 2.550 20 30 EFEDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C#N)c2)c1F ZINC000126181367 1291036389 /nfs/dbraw/zinc/03/63/89/1291036389.db2.gz 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C#CCCCCCC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000771572124 581223585 /nfs/dbraw/zinc/22/35/85/581223585.db2.gz VFFKJSWBHIKSPK-UHFFFAOYSA-N 0 2 326.400 2.584 20 30 EFEDLN C[C@@H](C#N)OC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O ZINC000772337866 581310404 /nfs/dbraw/zinc/31/04/04/581310404.db2.gz ARSJEAKBPISCBL-QMMMGPOBSA-N 0 2 325.246 2.666 20 30 EFEDLN Cc1[nH]c(-c2cccc(C)c2)[nH+]c1C([O-])=C(C#N)C(=O)N1CCCC1 ZINC000772645413 581351117 /nfs/dbraw/zinc/35/11/17/581351117.db2.gz ZLGDIJZZLWYUHW-HNNXBMFYSA-N 0 2 336.395 2.638 20 30 EFEDLN COc1cc(/C=C2\C(=O)Nc3cc(C#N)ccc32)cc([N+](=O)[O-])c1O ZINC000773158968 581401574 /nfs/dbraw/zinc/40/15/74/581401574.db2.gz GFFNROIDFQOYDB-QCDXTXTGSA-N 0 2 337.291 2.673 20 30 EFEDLN COc1ccc(C(O)=C(C#N)C(=O)NC2CCCC2)cc1C1CC1 ZINC000774056514 581480833 /nfs/dbraw/zinc/48/08/33/581480833.db2.gz SXWXMPPATOOKRR-INIZCTEOSA-N 0 2 326.396 2.954 20 30 EFEDLN N#CCCn1cc(C(=O)C[N@H+]2CCCC[C@@H]2C(=O)[O-])c2ccccc21 ZINC000821324392 597436781 /nfs/dbraw/zinc/43/67/81/597436781.db2.gz DAKQOQVHCJJYJG-QGZVFWFLSA-N 0 2 339.395 2.677 20 30 EFEDLN N#CCCn1cc(C(=O)C[N@@H+]2CCCC[C@@H]2C(=O)[O-])c2ccccc21 ZINC000821324392 597436784 /nfs/dbraw/zinc/43/67/84/597436784.db2.gz DAKQOQVHCJJYJG-QGZVFWFLSA-N 0 2 339.395 2.677 20 30 EFEDLN Cc1oc(C(=O)[O-])cc1C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000738963149 599718355 /nfs/dbraw/zinc/71/83/55/599718355.db2.gz ISMGCJWZBXHLAW-UHFFFAOYSA-N 0 2 343.358 2.619 20 30 EFEDLN C=CCn1c(C2CC2)nn(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c1=S ZINC000736118560 599841185 /nfs/dbraw/zinc/84/11/85/599841185.db2.gz VZICUJLOFNMGTI-ZDUSSCGKSA-N 0 2 336.461 2.764 20 30 EFEDLN C=CCn1c(C2CC2)nn(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])c1=S ZINC000736118560 599841186 /nfs/dbraw/zinc/84/11/86/599841186.db2.gz VZICUJLOFNMGTI-ZDUSSCGKSA-N 0 2 336.461 2.764 20 30 EFEDLN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C)C(C)(C)C(=O)[O-] ZINC000736545016 600134426 /nfs/dbraw/zinc/13/44/26/600134426.db2.gz NDJDCISOSFWWNE-GFCCVEGCSA-N 0 2 349.456 2.814 20 30 EFEDLN C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](C)C(C)(C)C(=O)[O-] ZINC000736545016 600134428 /nfs/dbraw/zinc/13/44/28/600134428.db2.gz NDJDCISOSFWWNE-GFCCVEGCSA-N 0 2 349.456 2.814 20 30 EFEDLN C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C(C)(C)C(=O)[O-] ZINC000830701897 601115229 /nfs/dbraw/zinc/11/52/29/601115229.db2.gz HUYFPXKWWKVCLK-UHFFFAOYSA-N 0 2 327.384 2.533 20 30 EFEDLN C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C(C)(C)C(=O)[O-] ZINC000830701897 601115231 /nfs/dbraw/zinc/11/52/31/601115231.db2.gz HUYFPXKWWKVCLK-UHFFFAOYSA-N 0 2 327.384 2.533 20 30 EFEDLN N#Cc1ccc([C@H](C(=O)[O-])[NH+]2CC(c3nc4ccccc4[nH]3)C2)cc1 ZINC000833072324 604488190 /nfs/dbraw/zinc/48/81/90/604488190.db2.gz RNPWWFAMOIRBII-QGZVFWFLSA-N 0 2 332.363 2.660 20 30 EFEDLN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)N[C@@](C)(C#N)C(C)C ZINC000829027077 604648738 /nfs/dbraw/zinc/64/87/38/604648738.db2.gz MPVXOMSIWXGOMA-LPHOPBHVSA-N 0 2 345.443 2.579 20 30 EFEDLN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)N[C@@](C)(C#N)C(C)C ZINC000829027077 604648739 /nfs/dbraw/zinc/64/87/39/604648739.db2.gz MPVXOMSIWXGOMA-LPHOPBHVSA-N 0 2 345.443 2.579 20 30 EFEDLN C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccccc1C(=O)[O-] ZINC000833374591 605477493 /nfs/dbraw/zinc/47/74/93/605477493.db2.gz SDPCNLPKOLSJQJ-UHFFFAOYSA-N 0 2 328.368 2.647 20 30 EFEDLN C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccccc1C(=O)[O-] ZINC000833374591 605477499 /nfs/dbraw/zinc/47/74/99/605477499.db2.gz SDPCNLPKOLSJQJ-UHFFFAOYSA-N 0 2 328.368 2.647 20 30 EFEDLN Cc1ccc(F)c(C=NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000826289031 608539195 /nfs/dbraw/zinc/53/91/95/608539195.db2.gz HKQVSHRNJOHMPD-UHFFFAOYSA-N 0 2 331.742 2.809 20 30 EFEDLN Cn1c2ccccc2nc1[C@H](C#N)C(=O)COCCOc1ccccc1 ZINC000123028115 1249544147 /nfs/dbraw/zinc/54/41/47/1249544147.db2.gz HDFCQNDTXWSLOL-MRXNPFEDSA-N 0 2 349.390 2.845 20 30 EFEDLN N#C[C@H](C(=O)[C@@H]1CC(=O)N[C@@H]2CCCC[C@H]21)c1cnc2ccccc2n1 ZINC000850986016 1250728023 /nfs/dbraw/zinc/72/80/23/1250728023.db2.gz MCVPXROPDVXGSP-LJISPDSOSA-N 0 2 348.406 2.501 20 30 EFEDLN C=CC(C)(C)C(=O)N(C)C[C@@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001755917390 1251768209 /nfs/dbraw/zinc/76/82/09/1251768209.db2.gz NQYWHUBCJRACNL-WDEREUQCSA-N 0 2 338.345 2.548 20 30 EFEDLN C=CC(C)(C)C(=O)N(C)C[C@@H]1CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001755917390 1251768213 /nfs/dbraw/zinc/76/82/13/1251768213.db2.gz NQYWHUBCJRACNL-WDEREUQCSA-N 0 2 338.345 2.548 20 30 EFEDLN C=CC(C)(C)C(=O)N1CCC[C@@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001755920455 1251788916 /nfs/dbraw/zinc/78/89/16/1251788916.db2.gz KAVDRPOVWVSUJL-GHMZBOCLSA-N 0 2 338.345 2.548 20 30 EFEDLN C=CC(C)(C)C(=O)N1CCC[C@@H]1CN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001755920455 1251788924 /nfs/dbraw/zinc/78/89/24/1251788924.db2.gz KAVDRPOVWVSUJL-GHMZBOCLSA-N 0 2 338.345 2.548 20 30 EFEDLN C=CCNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(O)c(F)c1F)CC2 ZINC001272724780 1253075328 /nfs/dbraw/zinc/07/53/28/1253075328.db2.gz PMJDXSMXRACOMC-CYBMUJFWSA-N 0 2 336.382 2.575 20 30 EFEDLN CC#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000998115959 1259131150 /nfs/dbraw/zinc/13/11/50/1259131150.db2.gz MFVFNORCPIAVAR-DLBZAZTESA-N 0 2 342.487 2.556 20 30 EFEDLN C=CCC1(C(=O)NCC[C@H](C)NC(=O)C(F)C(F)(F)F)CCC1 ZINC001078231759 1261539459 /nfs/dbraw/zinc/53/94/59/1261539459.db2.gz DDUKQFKOUZJYRX-WDEREUQCSA-N 0 2 338.345 2.644 20 30 EFEDLN C=CCC1(C(=O)NCC[C@H](C)NC(=O)[C@@H](F)C(F)(F)F)CCC1 ZINC001078231759 1261539465 /nfs/dbraw/zinc/53/94/65/1261539465.db2.gz DDUKQFKOUZJYRX-WDEREUQCSA-N 0 2 338.345 2.644 20 30 EFEDLN C=C(C)CCC(=O)N1CCC[C@H](NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001066236621 1266771286 /nfs/dbraw/zinc/77/12/86/1266771286.db2.gz YCZHEUHFGKWEGT-WCQYABFASA-N 0 2 338.345 2.740 20 30 EFEDLN C=CCCCC(=O)N1CCC[C@@H](NC(=O)C(F)C(F)(F)F)CC1 ZINC001066235403 1266769747 /nfs/dbraw/zinc/76/97/47/1266769747.db2.gz HCPWCQXAPRWJLL-YPMHNXCESA-N 0 2 338.345 2.740 20 30 EFEDLN C=CCCCC(=O)N1CCC[C@@H](NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001066235403 1266769757 /nfs/dbraw/zinc/76/97/57/1266769757.db2.gz HCPWCQXAPRWJLL-YPMHNXCESA-N 0 2 338.345 2.740 20 30 EFEDLN N#Cc1ccc(NCC2(CCNC(=O)C(F)C(F)(F)F)CC2)nc1 ZINC001090006706 1264757196 /nfs/dbraw/zinc/75/71/96/1264757196.db2.gz KAFKKLPHTUIBGT-GFCCVEGCSA-N 0 2 344.312 2.552 20 30 EFEDLN N#Cc1ccc(NCC2(CCNC(=O)[C@@H](F)C(F)(F)F)CC2)nc1 ZINC001090006706 1264757206 /nfs/dbraw/zinc/75/72/06/1264757206.db2.gz KAFKKLPHTUIBGT-GFCCVEGCSA-N 0 2 344.312 2.552 20 30 EFEDLN C=C(C)CCC(=O)N1CCC[C@H](NC(=O)C(F)C(F)(F)F)CC1 ZINC001066236621 1266771275 /nfs/dbraw/zinc/77/12/75/1266771275.db2.gz YCZHEUHFGKWEGT-WCQYABFASA-N 0 2 338.345 2.740 20 30 EFEDLN C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033684537 1269793084 /nfs/dbraw/zinc/79/30/84/1269793084.db2.gz LDQVKPGYUWCSSO-KRWDZBQOSA-N 0 2 335.879 2.647 20 30 EFEDLN N#Cc1ccc(NCC[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)nc1 ZINC001066394091 1269938974 /nfs/dbraw/zinc/93/89/74/1269938974.db2.gz QVCZDQKGQFLISN-ZWNOBZJWSA-N 0 2 344.312 2.504 20 30 EFEDLN N#Cc1ccc(NCC[C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)nc1 ZINC001066394091 1269938983 /nfs/dbraw/zinc/93/89/83/1269938983.db2.gz QVCZDQKGQFLISN-ZWNOBZJWSA-N 0 2 344.312 2.504 20 30 EFEDLN O=C1C(=NN=c2nc(-c3ccccc3)[nH]o2)CCN1Cc1ccccc1 ZINC000743437905 1270589021 /nfs/dbraw/zinc/58/90/21/1270589021.db2.gz IVBMCMDKBLXIRV-UHFFFAOYSA-N 0 2 347.378 2.937 20 30 EFEDLN C[C@H](CCCCNc1ccc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001090161735 1270610327 /nfs/dbraw/zinc/61/03/27/1270610327.db2.gz MTHLQXIOUGJRMC-MFKMUULPSA-N 0 2 346.328 2.941 20 30 EFEDLN C[C@H](CCCCNc1ccc(C#N)cn1)NC(=O)[C@H](F)C(F)(F)F ZINC001090161735 1270610328 /nfs/dbraw/zinc/61/03/28/1270610328.db2.gz MTHLQXIOUGJRMC-MFKMUULPSA-N 0 2 346.328 2.941 20 30 EFEDLN C[C@@H](CCCCNc1ccc(C#N)nc1)NC(=O)C(F)C(F)(F)F ZINC001090163069 1270632859 /nfs/dbraw/zinc/63/28/59/1270632859.db2.gz ZTLAMFMEAQZTAN-GXFFZTMASA-N 0 2 346.328 2.941 20 30 EFEDLN C[C@@H](CCCCNc1ccc(C#N)nc1)NC(=O)[C@@H](F)C(F)(F)F ZINC001090163069 1270632867 /nfs/dbraw/zinc/63/28/67/1270632867.db2.gz ZTLAMFMEAQZTAN-GXFFZTMASA-N 0 2 346.328 2.941 20 30 EFEDLN COc1cc([N+](=O)[O-])ccc1NN=Cc1cc([N+](=O)[O-])ccc1O ZINC000746682547 1275781944 /nfs/dbraw/zinc/78/19/44/1275781944.db2.gz YUTRNMKYSFIHRO-UHFFFAOYSA-N 0 2 332.272 2.663 20 30 EFEDLN O=C(C(F)C(F)(F)F)N1CCN(CCCCC(F)(F)F)CC1 ZINC001112867288 1276149725 /nfs/dbraw/zinc/14/97/25/1276149725.db2.gz KYJNAZNGHIFXSS-VIFPVBQESA-N 0 2 338.267 2.764 20 30 EFEDLN CC(=NN[C@@H]1CCOC1)c1cc(Br)cc(Cl)c1O ZINC000788445555 1276174615 /nfs/dbraw/zinc/17/46/15/1276174615.db2.gz HRHJDFQKRAONSV-SECBINFHSA-N 0 2 333.613 2.911 20 30 EFEDLN Cc1csc(C(C#N)C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)n1 ZINC000789335398 1276664308 /nfs/dbraw/zinc/66/43/08/1276664308.db2.gz DEBRCWYUCWHERO-NWDGAFQWSA-N 0 2 347.440 2.885 20 30 EFEDLN Cc1csc([C@@H](C#N)C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)n1 ZINC000789335398 1276664316 /nfs/dbraw/zinc/66/43/16/1276664316.db2.gz DEBRCWYUCWHERO-NWDGAFQWSA-N 0 2 347.440 2.885 20 30 EFEDLN C#Cc1cccc(NS(=O)(=O)c2c(Cl)cccc2C(=O)OC)c1 ZINC000790046124 1277169940 /nfs/dbraw/zinc/16/99/40/1277169940.db2.gz WGUJRXLUMDWTQQ-UHFFFAOYSA-N 0 2 349.795 2.909 20 30 EFEDLN O=C(/C=C\c1ccc([N+](=O)[O-])c(O)c1)c1cnnn1-c1ccccc1 ZINC000821008931 1277416348 /nfs/dbraw/zinc/41/63/48/1277416348.db2.gz UVCWPBFYMWOYIQ-CLFYSBASSA-N 0 2 336.307 2.777 20 30 EFEDLN C#Cc1cccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c1 ZINC000821140209 1277456201 /nfs/dbraw/zinc/45/62/01/1277456201.db2.gz QOOHVMGCDGSLEI-UHFFFAOYSA-N 0 2 334.328 2.824 20 30 EFEDLN CNC(=O)CC1SC(=Nc2ccsc2)N(C2CCCC2)C1=O ZINC000790735389 1277753495 /nfs/dbraw/zinc/75/34/95/1277753495.db2.gz DRQKFZWPZKTPSI-LBPRGKRZSA-N 0 2 337.470 2.758 20 30 EFEDLN CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(C2CCCC2)C1=O ZINC000790735389 1277753500 /nfs/dbraw/zinc/75/35/00/1277753500.db2.gz DRQKFZWPZKTPSI-LBPRGKRZSA-N 0 2 337.470 2.758 20 30 EFEDLN CN(CC(C)(C)CNc1ncccc1C#N)C(=O)C(F)C(F)(F)F ZINC001113463224 1277914417 /nfs/dbraw/zinc/91/44/17/1277914417.db2.gz HPLHFBBRDOINEX-NSHDSACASA-N 0 2 346.328 2.750 20 30 EFEDLN CN(CC(C)(C)CNc1ncccc1C#N)C(=O)[C@H](F)C(F)(F)F ZINC001113463224 1277914420 /nfs/dbraw/zinc/91/44/20/1277914420.db2.gz HPLHFBBRDOINEX-NSHDSACASA-N 0 2 346.328 2.750 20 30 EFEDLN COC(=O)c1nn(C)c(C)c1/C=C\C(=O)c1ccc(O)c(Cl)c1 ZINC000792891405 1279247003 /nfs/dbraw/zinc/24/70/03/1279247003.db2.gz UUICDTNCMCKKFV-ALCCZGGFSA-N 0 2 334.759 2.770 20 30 EFEDLN CC[C@@H](NN=C1CC[NH+](Cc2c(F)cccc2Cl)CC1)C(=O)[O-] ZINC000793072869 1279357912 /nfs/dbraw/zinc/35/79/12/1279357912.db2.gz QOFXNNPTLMQMKJ-OAHLLOKOSA-N 0 2 341.814 2.884 20 30 EFEDLN CCCCCCNC(=O)C(C#N)=C([O-])c1c[nH+]c2n1[C@H](C)CCC2 ZINC000845443423 1279635387 /nfs/dbraw/zinc/63/53/87/1279635387.db2.gz DATMYHDIKLNCSU-KGLIPLIRSA-N 0 2 330.432 2.799 20 30 EFEDLN N#Cc1ccc(N[C@@H]2CCCC[C@H]2NC(=O)C(F)C(F)(F)F)nc1 ZINC001091299082 1280295124 /nfs/dbraw/zinc/29/51/24/1280295124.db2.gz ZZADYWHJKQRBJH-NQBHXWOUSA-N 0 2 344.312 2.693 20 30 EFEDLN N#Cc1ccc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H](F)C(F)(F)F)nc1 ZINC001091299082 1280295136 /nfs/dbraw/zinc/29/51/36/1280295136.db2.gz ZZADYWHJKQRBJH-NQBHXWOUSA-N 0 2 344.312 2.693 20 30 EFEDLN N#Cc1c(F)cccc1N[C@H]1C[C@@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001091410135 1280539218 /nfs/dbraw/zinc/53/92/18/1280539218.db2.gz NVDMXFUXZCOTSZ-RWEMILLDSA-N 0 2 347.287 2.904 20 30 EFEDLN N#Cc1c(F)cccc1N[C@H]1C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001091410135 1280539224 /nfs/dbraw/zinc/53/92/24/1280539224.db2.gz NVDMXFUXZCOTSZ-RWEMILLDSA-N 0 2 347.287 2.904 20 30 EFEDLN C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001158029688 1281094092 /nfs/dbraw/zinc/09/40/92/1281094092.db2.gz LRUKTOFYFABBRQ-CVEARBPZSA-N 0 2 347.906 2.732 20 30 EFEDLN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc3c2COC3=O)c1 ZINC000808127106 1281527123 /nfs/dbraw/zinc/52/71/23/1281527123.db2.gz OMRIREHSGWXHCT-UHFFFAOYSA-N 0 2 348.767 2.683 20 30 EFEDLN N#CC(C(=O)[C@H]1CC12CCCC2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000747480789 1281654320 /nfs/dbraw/zinc/65/43/20/1281654320.db2.gz VWVGSDMZXGAGQA-ZIAGYGMSSA-N 0 2 348.410 2.954 20 30 EFEDLN N#C[C@H](C(=O)[C@H]1CC12CCCC2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000747480789 1281654335 /nfs/dbraw/zinc/65/43/35/1281654335.db2.gz VWVGSDMZXGAGQA-ZIAGYGMSSA-N 0 2 348.410 2.954 20 30 EFEDLN N#CC(C(=O)[C@H]1CC12CCCC2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000747480788 1281654556 /nfs/dbraw/zinc/65/45/56/1281654556.db2.gz VWVGSDMZXGAGQA-UONOGXRCSA-N 0 2 348.410 2.954 20 30 EFEDLN N#C[C@@H](C(=O)[C@H]1CC12CCCC2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000747480788 1281654569 /nfs/dbraw/zinc/65/45/69/1281654569.db2.gz VWVGSDMZXGAGQA-UONOGXRCSA-N 0 2 348.410 2.954 20 30 EFEDLN N#CCOc1cccc(NS(=O)(=O)c2cnn(C3CCCC3)c2)c1 ZINC000872340246 1287544365 /nfs/dbraw/zinc/54/43/65/1287544365.db2.gz RKFLRIFXRREWCP-UHFFFAOYSA-N 0 2 346.412 2.701 20 30 EFEDLN O=S(=O)(Nc1nncs1)c1ccc(N=NC2CC[C@@H]3C[C@@H]32)cc1 ZINC000872355354 1287548909 /nfs/dbraw/zinc/54/89/09/1287548909.db2.gz HUKVOQYWNFMALS-SKDRFNHKSA-N 0 2 349.441 2.537 20 30 EFEDLN CCn1c(=O)c2ccc(C(=O)OC3(CC#N)CCC3)cc2[nH]c1=S ZINC000810856595 1283758306 /nfs/dbraw/zinc/75/83/06/1283758306.db2.gz WIHGOAQGSYTNJB-UHFFFAOYSA-N 0 2 343.408 2.698 20 30 EFEDLN Cc1c(Cl)nccc1NS(=O)(=O)c1ccc(C#N)cc1F ZINC000811836324 1284666962 /nfs/dbraw/zinc/66/69/62/1284666962.db2.gz OMIASGRLWCSDDU-UHFFFAOYSA-N 0 2 325.752 2.855 20 30 EFEDLN CC(C)(C)n1ncc2c1nc(N=NC1CCC[C@H](C#N)C1)[nH]c2=O ZINC000814846277 1287096590 /nfs/dbraw/zinc/09/65/90/1287096590.db2.gz CWHAHRIJKPTOTK-JTQLQIEISA-N 0 2 327.392 2.769 20 30 EFEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@@H]2CCC[C@@H](OC)C2)n1 ZINC000815923607 1287892851 /nfs/dbraw/zinc/89/28/51/1287892851.db2.gz AMDCGTKBXSSGQK-IJLUTSLNSA-N 0 2 336.413 2.701 20 30 EFEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H]2CCC[C@@H](OC)C2)n1 ZINC000815923607 1287892861 /nfs/dbraw/zinc/89/28/61/1287892861.db2.gz AMDCGTKBXSSGQK-IJLUTSLNSA-N 0 2 336.413 2.701 20 30 EFEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)CCc2cncs2)n1 ZINC000815924490 1287893306 /nfs/dbraw/zinc/89/33/06/1287893306.db2.gz ZFGZXUGGIJUZFS-SNVBAGLBSA-N 0 2 335.410 2.585 20 30 EFEDLN COc1ccc([C@H](C)CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cc1 ZINC000123014517 1305220337 /nfs/dbraw/zinc/22/03/37/1305220337.db2.gz HIHIYZCRYYSUQW-IUODEOHRSA-N 0 2 325.368 2.514 20 30 EFEDLN C[C@@H](CCc1ccc(F)cc1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000870243452 1305221497 /nfs/dbraw/zinc/22/14/97/1305221497.db2.gz NLNVAWUJTAOGME-SWLSCSKDSA-N 0 2 327.359 2.720 20 30 EFEDLN C=C[C@@H](C)ONC(=O)[C@@H](CC(=O)NO[C@@H](C)C=C)c1ccc(C)cc1 ZINC000824033163 1289516112 /nfs/dbraw/zinc/51/61/12/1289516112.db2.gz DPHJFBOPSMHNID-UXLLHSPISA-N 0 2 346.427 2.713 20 30 EFEDLN N#Cc1ccc(NS(=O)(=O)c2cnc(Cl)nc2)c2ccccc12 ZINC001184995901 1290570620 /nfs/dbraw/zinc/57/06/20/1290570620.db2.gz GVZVZLKYGPBAMV-UHFFFAOYSA-N 0 2 344.783 2.956 20 30 EFEDLN Cc1nc(C#N)ccc1NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188039626 1291285405 /nfs/dbraw/zinc/28/54/05/1291285405.db2.gz GYDHYCVHGXPTMY-UHFFFAOYSA-N 0 2 343.195 2.764 20 30 EFEDLN N#Cc1cccc(Br)c1NS(=O)(=O)c1ccoc1 ZINC001188610031 1291422239 /nfs/dbraw/zinc/42/22/39/1291422239.db2.gz FRZNNOJBLAVKOY-UHFFFAOYSA-N 0 2 327.159 2.715 20 30 EFEDLN Cc1c2ccc(NS(=O)(=O)c3cc(C#N)ccc3F)cc2nn1C ZINC001190647661 1292263664 /nfs/dbraw/zinc/26/36/64/1292263664.db2.gz FNDFKNUNWIEUNG-UHFFFAOYSA-N 0 2 344.371 2.693 20 30 EFEDLN Cn1ccc2c1cccc2NS(=O)(=O)c1cc(C#N)ccc1F ZINC001190650623 1292264578 /nfs/dbraw/zinc/26/45/78/1292264578.db2.gz JBUWWHSXCYKTKM-UHFFFAOYSA-N 0 2 329.356 2.990 20 30 EFEDLN Cc1ccc(CCCO)c(NS(=O)(=O)c2cc(C#N)ccc2F)c1 ZINC001190655618 1292268476 /nfs/dbraw/zinc/26/84/76/1292268476.db2.gz HNHMQDVQJSBMJQ-UHFFFAOYSA-N 0 2 348.399 2.732 20 30 EFEDLN N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccn3cc[nH+]c3c2)c1 ZINC001190942999 1292380495 /nfs/dbraw/zinc/38/04/95/1292380495.db2.gz QEPLYJHDVKWISA-UHFFFAOYSA-N 0 2 332.772 2.660 20 30 EFEDLN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cnc(F)c(F)c2)c1 ZINC001190943262 1292382902 /nfs/dbraw/zinc/38/29/02/1292382902.db2.gz YJTKILUPOYOJLH-UHFFFAOYSA-N 0 2 329.715 2.686 20 30 EFEDLN Cn1ncc2c1cccc2NS(=O)(=O)c1cc(C#N)ccc1Cl ZINC001190969842 1292404241 /nfs/dbraw/zinc/40/42/41/1292404241.db2.gz OGZTZFIRSOYSJB-UHFFFAOYSA-N 0 2 346.799 2.899 20 30 EFEDLN Cc1c(Cl)ccc(S(=O)(=O)Nc2cn(C)nc2C#N)c1Cl ZINC001191732121 1292644316 /nfs/dbraw/zinc/64/43/16/1292644316.db2.gz WAUQRTZIHNKTEF-UHFFFAOYSA-N 0 2 345.211 2.708 20 30 EFEDLN N#Cc1ccc(NS(=O)(=O)c2cnc3n2CCCC3)cc1Cl ZINC000903615633 1312946038 /nfs/dbraw/zinc/94/60/38/1312946038.db2.gz GHFDFAPXOYNQCF-UHFFFAOYSA-N 0 2 336.804 2.545 20 30 EFEDLN N#Cc1cc(F)c(C(=O)Nc2ccc(-n3ccc(=O)[nH]3)cc2)c(F)c1 ZINC001191935766 1292720419 /nfs/dbraw/zinc/72/04/19/1292720419.db2.gz DQFHQKQDIPKPNG-UHFFFAOYSA-N 0 2 340.289 2.980 20 30 EFEDLN CCc1ccc(OC)c(S(=O)(=O)Nc2cnc(C#N)c(C)c2)c1 ZINC001192775929 1293033690 /nfs/dbraw/zinc/03/36/90/1293033690.db2.gz UCWASDXKQBGNKN-UHFFFAOYSA-N 0 2 331.397 2.634 20 30 EFEDLN CC(C)(C)OC(=O)n1ccc2c1cccc2NS(=O)(=O)CC#N ZINC001192982242 1293116009 /nfs/dbraw/zinc/11/60/09/1293116009.db2.gz LIHFKFDYQFMGDX-UHFFFAOYSA-N 0 2 335.385 2.690 20 30 EFEDLN N#CCS(=O)(=O)Nc1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC001192980330 1293131351 /nfs/dbraw/zinc/13/13/51/1293131351.db2.gz GWTWTJYELKTJQZ-UHFFFAOYSA-N 0 2 348.224 2.869 20 30 EFEDLN C[C@H](C#N)S(=O)(=O)Nc1c(O)cc(C(F)(F)F)cc1Cl ZINC001193158871 1293189025 /nfs/dbraw/zinc/18/90/25/1293189025.db2.gz WACSZZNUAVXFQN-RXMQYKEDSA-N 0 2 328.699 2.718 20 30 EFEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2nc3ccc(F)cc3o2)c1 ZINC001193635948 1293377840 /nfs/dbraw/zinc/37/78/40/1293377840.db2.gz HREPEABVOGYGDX-UHFFFAOYSA-N 0 2 347.327 2.648 20 30 EFEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC001193636488 1293377857 /nfs/dbraw/zinc/37/78/57/1293377857.db2.gz SLGYSXXOQZVVHY-UHFFFAOYSA-N 0 2 347.783 2.893 20 30 EFEDLN CN(C(=O)c1cccc(C#N)c1O)c1ncc(C(F)(F)F)cc1N ZINC001193634711 1293378259 /nfs/dbraw/zinc/37/82/59/1293378259.db2.gz HTEJASJYESDYFP-UHFFFAOYSA-N 0 2 336.273 2.536 20 30 EFEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(Cl)nc2C)c1 ZINC001193640572 1293380290 /nfs/dbraw/zinc/38/02/90/1293380290.db2.gz KTAGHSZNIQWHQH-UHFFFAOYSA-N 0 2 337.788 2.725 20 30 EFEDLN N#Cc1cccc(C(=O)Nc2nc(F)c(F)c(Cl)c2F)c1O ZINC001193642935 1293380525 /nfs/dbraw/zinc/38/05/25/1293380525.db2.gz TWSJNPZMGXMSKV-UHFFFAOYSA-N 0 2 327.649 2.982 20 30 EFEDLN CCOC(=O)c1nc(C2CC2)oc1NC(=O)c1cccc(C#N)c1O ZINC001193642746 1293380804 /nfs/dbraw/zinc/38/08/04/1293380804.db2.gz OQLBHSTZWHQNMU-UHFFFAOYSA-N 0 2 341.323 2.558 20 30 EFEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2cc3ccccc3n2C)c1 ZINC001193654211 1293397719 /nfs/dbraw/zinc/39/77/19/1293397719.db2.gz UKJPJYGUGIIAFA-UHFFFAOYSA-N 0 2 341.392 2.859 20 30 EFEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2cc(F)c(C)c(F)c2)c1 ZINC001193681141 1293407652 /nfs/dbraw/zinc/40/76/52/1293407652.db2.gz RFWVABDJTMEAND-UHFFFAOYSA-N 0 2 338.335 2.954 20 30 EFEDLN Cc1cc(C#N)c(NS(=O)(=O)C2CCC(=O)CC2)cc1Cl ZINC001194809619 1293720428 /nfs/dbraw/zinc/72/04/28/1293720428.db2.gz SMMPMURPUIZSGZ-UHFFFAOYSA-N 0 2 326.805 2.774 20 30 EFEDLN COc1cc(C#N)c(NS(=O)(=O)CC[Si](C)(C)C)cc1OC ZINC001195068642 1293791438 /nfs/dbraw/zinc/79/14/38/1293791438.db2.gz UDKUVJYJGFEVTM-UHFFFAOYSA-N 0 2 342.493 2.655 20 30 EFEDLN N#Cc1cc(S(=O)(=O)Nc2cccc(F)n2)ccc1C(F)(F)F ZINC000800043506 1293893952 /nfs/dbraw/zinc/89/39/52/1293893952.db2.gz INAUCJHQZMMCNB-UHFFFAOYSA-N 0 2 345.277 2.912 20 30 EFEDLN C#CCNC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1O ZINC000775678642 1294104841 /nfs/dbraw/zinc/10/48/41/1294104841.db2.gz HKNKRNFUBOBOQC-UHFFFAOYSA-N 0 2 328.755 2.661 20 30 EFEDLN COC(=O)c1cc(C#N)cc(NS(=O)(=O)c2ccc(C)cc2F)c1 ZINC001196383854 1294218842 /nfs/dbraw/zinc/21/88/42/1294218842.db2.gz LPGXHLDROAMUEN-UHFFFAOYSA-N 0 2 348.355 2.593 20 30 EFEDLN N#Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2C#N)ccc1O ZINC001196680674 1294315635 /nfs/dbraw/zinc/31/56/35/1294315635.db2.gz XTGRDUQHYXZNQF-UHFFFAOYSA-N 0 2 333.756 2.590 20 30 EFEDLN N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1cccc2c1OCC2 ZINC001196680479 1294315756 /nfs/dbraw/zinc/31/57/56/1294315756.db2.gz MXBOTGQOVYMTTC-UHFFFAOYSA-N 0 2 334.784 2.947 20 30 EFEDLN Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2C#N)cnc1F ZINC001196648068 1294317681 /nfs/dbraw/zinc/31/76/81/1294317681.db2.gz PZOHJHZFORNAAA-UHFFFAOYSA-N 0 2 325.752 2.855 20 30 EFEDLN Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2C#N)cnc1C#N ZINC001196650569 1294319445 /nfs/dbraw/zinc/31/94/45/1294319445.db2.gz QGUMUBAMWRSMHO-UHFFFAOYSA-N 0 2 332.772 2.588 20 30 EFEDLN Cc1nc(C#N)ccc1NS(=O)(=O)c1cc(Cl)ccc1C#N ZINC001196650734 1294319824 /nfs/dbraw/zinc/31/98/24/1294319824.db2.gz YDAICQCBHUXVHO-UHFFFAOYSA-N 0 2 332.772 2.588 20 30 EFEDLN COC(=O)c1cccc(C)c1S(=O)(=O)Nc1cc(F)cc(C#N)c1 ZINC001197030008 1294444736 /nfs/dbraw/zinc/44/47/36/1294444736.db2.gz VOIQMVQJCAJAEB-UHFFFAOYSA-N 0 2 348.355 2.593 20 30 EFEDLN C#Cc1nccnc1NS(=O)(=O)Cc1cc(Cl)ccc1Cl ZINC001197503118 1294592180 /nfs/dbraw/zinc/59/21/80/1294592180.db2.gz SVNOWRRNGCEDOO-UHFFFAOYSA-N 0 2 342.207 2.707 20 30 EFEDLN N#Cc1cnc(NS(=O)(=O)Cc2cccc(Cl)c2Cl)cn1 ZINC001197715475 1294687248 /nfs/dbraw/zinc/68/72/48/1294687248.db2.gz BWVZSZQJSXVEAS-UHFFFAOYSA-N 0 2 343.195 2.597 20 30 EFEDLN COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(C)cc2C#N)cc1 ZINC001201215611 1296665136 /nfs/dbraw/zinc/66/51/36/1296665136.db2.gz VSCDHURILLWGNM-UHFFFAOYSA-N 0 2 344.392 2.595 20 30 EFEDLN Cc1ccc(S(=O)(=O)Nc2cccnc2OC(F)F)cc1C#N ZINC001201295145 1296708443 /nfs/dbraw/zinc/70/84/43/1296708443.db2.gz MCMRGJKQOJLRIE-UHFFFAOYSA-N 0 2 339.323 2.664 20 30 EFEDLN Cc1csc(C(C#N)C(=O)CSc2nnc(C)n2C(C)C)n1 ZINC000777589364 1296910121 /nfs/dbraw/zinc/91/01/21/1296910121.db2.gz YBXYOZUGPSSDJX-NSHDSACASA-N 0 2 335.458 2.901 20 30 EFEDLN C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001235631515 1313362315 /nfs/dbraw/zinc/36/23/15/1313362315.db2.gz ADFNCUCQJYTCLY-ZWKOTPCHSA-N 0 2 332.492 2.969 20 30 EFEDLN CC(C)Cn1ncnc1Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000778595515 1297693759 /nfs/dbraw/zinc/69/37/59/1297693759.db2.gz FNGHXQMOOYGRIX-UHFFFAOYSA-N 0 2 330.436 2.638 20 30 EFEDLN N#C[C@@H](C(=O)C=Cc1ccc(C(N)=O)o1)c1nc(C2CC2)cs1 ZINC000853130974 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983581164 /nfs/dbraw/zinc/58/11/64/983581164.db2.gz XQYABSYQMAUHCP-VIFPVBQESA-N 0 2 331.235 2.929 20 30 EFEDLN C=C(Br)C[N@@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001588529380 983581166 /nfs/dbraw/zinc/58/11/66/983581166.db2.gz XQYABSYQMAUHCP-VIFPVBQESA-N 0 2 331.235 2.929 20 30 EFEDLN C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001588719589 983961615 /nfs/dbraw/zinc/96/16/15/983961615.db2.gz WGESCFNOQCYBQT-LLVKDONJSA-N 0 2 334.441 2.914 20 30 EFEDLN C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC001588719589 983961619 /nfs/dbraw/zinc/96/16/19/983961619.db2.gz WGESCFNOQCYBQT-LLVKDONJSA-N 0 2 334.441 2.914 20 30 EFEDLN C=CC[N@@H+](Cc1snc(OC)c1C(=O)[O-])Cc1cccc(C#N)c1 ZINC001588832361 984321514 /nfs/dbraw/zinc/32/15/14/984321514.db2.gz GANWHQSDDQINFA-UHFFFAOYSA-N 0 2 343.408 2.910 20 30 EFEDLN C=CC[N@H+](Cc1snc(OC)c1C(=O)[O-])Cc1cccc(C#N)c1 ZINC001588832361 984321521 /nfs/dbraw/zinc/32/15/21/984321521.db2.gz GANWHQSDDQINFA-UHFFFAOYSA-N 0 2 343.408 2.910 20 30 EFEDLN C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001588882484 984463493 /nfs/dbraw/zinc/46/34/93/984463493.db2.gz VWTYIPPRTRSAQP-OAHLLOKOSA-N 0 2 347.411 2.900 20 30 EFEDLN C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001588882484 984463496 /nfs/dbraw/zinc/46/34/96/984463496.db2.gz VWTYIPPRTRSAQP-OAHLLOKOSA-N 0 2 347.411 2.900 20 30 EFEDLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC001599958350 985728089 /nfs/dbraw/zinc/72/80/89/985728089.db2.gz AKJXHKVEHWZHOG-UHFFFAOYSA-N 0 2 337.379 2.740 20 30 EFEDLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC001599958350 985728098 /nfs/dbraw/zinc/72/80/98/985728098.db2.gz AKJXHKVEHWZHOG-UHFFFAOYSA-N 0 2 337.379 2.740 20 30 EFEDLN C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001589445858 986817008 /nfs/dbraw/zinc/81/70/08/986817008.db2.gz XZHXSAIXEZLEAR-CYBMUJFWSA-N 0 2 349.390 2.642 20 30 EFEDLN C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001589445858 986817017 /nfs/dbraw/zinc/81/70/17/986817017.db2.gz XZHXSAIXEZLEAR-CYBMUJFWSA-N 0 2 349.390 2.642 20 30 EFEDLN CCc1[nH]c(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1C(=O)[O-] ZINC001597386210 987601769 /nfs/dbraw/zinc/60/17/69/987601769.db2.gz FUGFFIVTDDUBHW-UHFFFAOYSA-N 0 2 344.440 2.531 20 30 EFEDLN CCc1oc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1C(=O)[O-] ZINC001597798676 989369990 /nfs/dbraw/zinc/36/99/90/989369990.db2.gz HVADVJDLECZEOC-GOSISDBHSA-N 0 2 340.379 2.985 20 30 EFEDLN CCc1oc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1C(=O)[O-] ZINC001597798676 989369992 /nfs/dbraw/zinc/36/99/92/989369992.db2.gz HVADVJDLECZEOC-GOSISDBHSA-N 0 2 340.379 2.985 20 30 EFEDLN CCc1oc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1C(=O)[O-] ZINC001597798678 989371475 /nfs/dbraw/zinc/37/14/75/989371475.db2.gz HVADVJDLECZEOC-SFHVURJKSA-N 0 2 340.379 2.985 20 30 EFEDLN CCc1oc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)cc1C(=O)[O-] ZINC001597798678 989371480 /nfs/dbraw/zinc/37/14/80/989371480.db2.gz HVADVJDLECZEOC-SFHVURJKSA-N 0 2 340.379 2.985 20 30 EFEDLN CN(C)c1[nH+]cccc1/C=C\C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001598358687 991478945 /nfs/dbraw/zinc/47/89/45/991478945.db2.gz IUXFJFIUBAPHID-YFHOEESVSA-N 0 2 326.352 2.507 20 30 EFEDLN O=C(/C=C\c1cn(Cc2cccnc2)nn1)c1ccc(O)c(Cl)c1 ZINC000588480316 1092321952 /nfs/dbraw/zinc/32/19/52/1092321952.db2.gz AYCTZQDOOYYFCP-XQRVVYSFSA-N 0 2 340.770 2.977 20 30 EFEDLN N#CCN1CCC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)CC1 ZINC001075453768 1093038119 /nfs/dbraw/zinc/03/81/19/1093038119.db2.gz ATHHHKOITIRQKP-JSGCOSHPSA-N 0 2 349.372 2.751 20 30 EFEDLN N#CCN1CCC[C@H](C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)CC1 ZINC001075453768 1093038123 /nfs/dbraw/zinc/03/81/23/1093038123.db2.gz ATHHHKOITIRQKP-JSGCOSHPSA-N 0 2 349.372 2.751 20 30 EFEDLN CC(C)(C)c1cnc([C@H](C#N)C(=O)c2coc(-c3nn[nH]n3)c2)s1 ZINC001589231561 1093053798 /nfs/dbraw/zinc/05/37/98/1093053798.db2.gz AEFVHTUDDADHOL-SECBINFHSA-N 0 2 342.384 2.704 20 30 EFEDLN CC(C)(C)c1cnc(C(C#N)C(=O)c2coc(-c3nn[nH]n3)c2)s1 ZINC001589231561 1093053809 /nfs/dbraw/zinc/05/38/09/1093053809.db2.gz AEFVHTUDDADHOL-SECBINFHSA-N 0 2 342.384 2.704 20 30 EFEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@@H]2CCC(F)(F)C2)n1 ZINC000796661497 1093126819 /nfs/dbraw/zinc/12/68/19/1093126819.db2.gz YIWBPDKQDQFYEV-RKDXNWHRSA-N 0 2 328.340 2.931 20 30 EFEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H]2CCC(F)(F)C2)n1 ZINC000796661497 1093126827 /nfs/dbraw/zinc/12/68/27/1093126827.db2.gz YIWBPDKQDQFYEV-RKDXNWHRSA-N 0 2 328.340 2.931 20 30 EFEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@@H]2CCC(F)(F)C2)n1 ZINC000796661492 1093127413 /nfs/dbraw/zinc/12/74/13/1093127413.db2.gz YIWBPDKQDQFYEV-BDAKNGLRSA-N 0 2 328.340 2.931 20 30 EFEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@@H]2CCC(F)(F)C2)n1 ZINC000796661492 1093127421 /nfs/dbraw/zinc/12/74/21/1093127421.db2.gz YIWBPDKQDQFYEV-BDAKNGLRSA-N 0 2 328.340 2.931 20 30 EFEDLN N#Cc1ccc(NC2(CNC(=O)C(F)C(F)(F)F)CCCC2)cn1 ZINC001104437297 1093217825 /nfs/dbraw/zinc/21/78/25/1093217825.db2.gz PUUAUQUTTMWMGS-LBPRGKRZSA-N 0 2 344.312 2.695 20 30 EFEDLN N#Cc1ccc(NC2(CNC(=O)[C@H](F)C(F)(F)F)CCCC2)cn1 ZINC001104437297 1093217833 /nfs/dbraw/zinc/21/78/33/1093217833.db2.gz PUUAUQUTTMWMGS-LBPRGKRZSA-N 0 2 344.312 2.695 20 30 EFEDLN CNC(=O)CC1SC(=Nc2ccccc2)N(CC=C(C)C)C1=O ZINC000588581716 1093489246 /nfs/dbraw/zinc/48/92/46/1093489246.db2.gz WSNKWAOHMMIIKF-CQSZACIVSA-N 0 2 331.441 2.720 20 30 EFEDLN CNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CC=C(C)C)C1=O ZINC000588581716 1093489249 /nfs/dbraw/zinc/48/92/49/1093489249.db2.gz WSNKWAOHMMIIKF-CQSZACIVSA-N 0 2 331.441 2.720 20 30 EFEDLN N#CCCC[C@@H](NCc1nc(-c2nn[nH]n2)cs1)c1ccccc1 ZINC001592674917 1094174639 /nfs/dbraw/zinc/17/46/39/1094174639.db2.gz MTJCBQHTIVAOHE-CYBMUJFWSA-N 0 2 339.428 2.848 20 30 EFEDLN N#C[C@@]1(c2ccccn2)CCC[N@@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC001601057786 1095484306 /nfs/dbraw/zinc/48/43/06/1095484306.db2.gz FEOJUNMULWLIKK-KRWDZBQOSA-N 0 2 327.409 2.899 20 30 EFEDLN N#C[C@@]1(c2ccccn2)CCC[N@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC001601057786 1095484309 /nfs/dbraw/zinc/48/43/09/1095484309.db2.gz FEOJUNMULWLIKK-KRWDZBQOSA-N 0 2 327.409 2.899 20 30 EFEDLN N#Cc1c(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)cccc1C(=O)[O-] ZINC001601082417 1095496400 /nfs/dbraw/zinc/49/64/00/1095496400.db2.gz TYDIDFARPHREIB-INIZCTEOSA-N 0 2 330.771 2.733 20 30 EFEDLN N#Cc1ccc(-c2nnc(C[NH2+][C@H](C(=O)[O-])C3CCCCC3)o2)cc1 ZINC001601092457 1095503647 /nfs/dbraw/zinc/50/36/47/1095503647.db2.gz HDVRFKWRYVAUKZ-INIZCTEOSA-N 0 2 340.383 2.731 20 30 EFEDLN N#Cc1ccc([C@@H](OC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(=O)[O-])cc1 ZINC001601099350 1095511991 /nfs/dbraw/zinc/51/19/91/1095511991.db2.gz NLBGUDXUWOOYPP-QGZVFWFLSA-N 0 2 347.330 2.727 20 30 EFEDLN N#Cc1cccc([C@@H](C(=O)[O-])[N@@H+]2CCOc3cccc(F)c3C2)c1 ZINC001601119706 1095525410 /nfs/dbraw/zinc/52/54/10/1095525410.db2.gz WSNIOYQWQOHTEY-KRWDZBQOSA-N 0 2 326.327 2.718 20 30 EFEDLN N#Cc1cccc([C@@H](C(=O)[O-])[N@H+]2CCOc3cccc(F)c3C2)c1 ZINC001601119706 1095525419 /nfs/dbraw/zinc/52/54/19/1095525419.db2.gz WSNIOYQWQOHTEY-KRWDZBQOSA-N 0 2 326.327 2.718 20 30 EFEDLN C#C[C@H]([NH2+][C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC001602679543 1096348974 /nfs/dbraw/zinc/34/89/74/1096348974.db2.gz YEIMKHNOJBRYPS-MJBXVCDLSA-N 0 2 327.302 2.602 20 30 EFEDLN C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC001602762097 1096366437 /nfs/dbraw/zinc/36/64/37/1096366437.db2.gz RNWCFIJZKRUFCD-OAHLLOKOSA-N 0 2 342.798 2.619 20 30 EFEDLN C=C[C@H](C(=O)[O-])N1CC[NH+]([C@@H](C)c2nc3ccccc3s2)CC1 ZINC001602804371 1096374244 /nfs/dbraw/zinc/37/42/44/1096374244.db2.gz NYSDWJMPKSUHFR-GXTWGEPZSA-N 0 2 331.441 2.614 20 30 EFEDLN C=C[C@H](Sc1nnc([C@H](CC)[NH+](C)C)n1CCCC)C(=O)[O-] ZINC001602828633 1096377229 /nfs/dbraw/zinc/37/72/29/1096377229.db2.gz MHOQZVLSSRGBGL-RYUDHWBXSA-N 0 2 326.466 2.822 20 30 EFEDLN COc1ccc(C[N@H+](C)Cc2cccc(C(=O)[O-])c2C#N)cc1O ZINC001607251328 1097574929 /nfs/dbraw/zinc/57/49/29/1097574929.db2.gz ATQXKCXSMRSOIB-UHFFFAOYSA-N 0 2 326.352 2.603 20 30 EFEDLN COc1ccc(C[N@@H+](C)Cc2cccc(C(=O)[O-])c2C#N)cc1O ZINC001607251328 1097574936 /nfs/dbraw/zinc/57/49/36/1097574936.db2.gz ATQXKCXSMRSOIB-UHFFFAOYSA-N 0 2 326.352 2.603 20 30 EFEDLN Cc1oc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1C(=O)[O-] ZINC001608046176 1097815212 /nfs/dbraw/zinc/81/52/12/1097815212.db2.gz QXAJRDPLGSFMMP-LLVKDONJSA-N 0 2 341.367 2.617 20 30 EFEDLN Cc1oc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1C(=O)[O-] ZINC001608046176 1097815220 /nfs/dbraw/zinc/81/52/20/1097815220.db2.gz QXAJRDPLGSFMMP-LLVKDONJSA-N 0 2 341.367 2.617 20 30 EFEDLN N#CC1(C(=O)[O-])CC[NH+](Cc2nnc(-c3cccc(Cl)c3)o2)CC1 ZINC001608174565 1097852084 /nfs/dbraw/zinc/85/20/84/1097852084.db2.gz RFEDZUDJUNJDSW-UHFFFAOYSA-N 0 2 346.774 2.580 20 30 EFEDLN N#CC1(C(=O)[O-])CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC001608174149 1097852424 /nfs/dbraw/zinc/85/24/24/1097852424.db2.gz JFTKYLKKTXEFSR-UHFFFAOYSA-N 0 2 328.290 2.617 20 30 EFEDLN N#CCC[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001608183663 1097854517 /nfs/dbraw/zinc/85/45/17/1097854517.db2.gz 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479098392 /nfs/dbraw/zinc/09/83/92/479098392.db2.gz RXTCRLJMHTXBGC-NSHDSACASA-N 0 2 347.440 2.554 20 30 EFEDLN N#C[C@H](C(=O)c1cn(CC2CC2)nn1)c1ccc(C(F)(F)F)cn1 ZINC000569559559 479144375 /nfs/dbraw/zinc/14/43/75/479144375.db2.gz STZBDYJFDDARMY-NSHDSACASA-N 0 2 335.289 2.592 20 30 EFEDLN N#CC(C(=O)c1cn(CC2CC2)nn1)c1ccc(C(F)(F)F)cn1 ZINC000569559559 479144382 /nfs/dbraw/zinc/14/43/82/479144382.db2.gz STZBDYJFDDARMY-NSHDSACASA-N 0 2 335.289 2.592 20 30 EFEDLN COc1cc(F)c(S(=O)(=O)Nc2cccc(C#N)c2C)c(F)c1 ZINC000610897175 479228352 /nfs/dbraw/zinc/22/83/52/479228352.db2.gz ONXPLAUZFLIFBK-UHFFFAOYSA-N 0 2 338.335 2.954 20 30 EFEDLN N#Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)C(F)(F)F)o1 ZINC000574353096 479271056 /nfs/dbraw/zinc/27/10/56/479271056.db2.gz ZCPRQXNIBQJSRN-GFCCVEGCSA-N 0 2 330.287 2.733 20 30 EFEDLN CC(C)CCn1nccc1NS(=O)(=O)c1ccc(C#N)cc1F ZINC000574956026 479378500 /nfs/dbraw/zinc/37/85/00/479378500.db2.gz IAOZETBVKSNGRC-UHFFFAOYSA-N 0 2 336.392 2.741 20 30 EFEDLN Cc1[nH][nH]c(=NC(=O)c2ccccc2NCc2ccccc2)c1C#N ZINC000588715399 479433495 /nfs/dbraw/zinc/43/34/95/479433495.db2.gz KBGGTISCPJAXHS-UHFFFAOYSA-N 0 2 331.379 2.876 20 30 EFEDLN Cc1[nH]c(-c2ccccc2)nc1C(=O)N=c1[nH][nH]c(C2CC2)c1C#N ZINC000588767961 479440129 /nfs/dbraw/zinc/44/01/29/479440129.db2.gz PPGIOQOVAGTHIA-UHFFFAOYSA-N 0 2 332.367 2.532 20 30 EFEDLN N#Cc1cc(F)c(S(=O)(=O)NC2(C(F)F)CCCC2)c(F)c1 ZINC000588906036 479455591 /nfs/dbraw/zinc/45/55/91/479455591.db2.gz DWXFQZXKYISKQF-UHFFFAOYSA-N 0 2 336.310 2.693 20 30 EFEDLN CSc1[nH]c(=O)c(C(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1C#N ZINC000604194392 479483970 /nfs/dbraw/zinc/48/39/70/479483970.db2.gz MAZPSKMEOGHMRW-UHFFFAOYSA-N 0 2 331.401 2.654 20 30 EFEDLN Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)ccc1[N+](=O)[O-] ZINC000604455767 479521092 /nfs/dbraw/zinc/52/10/92/479521092.db2.gz AYVBFTQXLHOXGS-ZDUSSCGKSA-N 0 2 339.355 2.711 20 30 EFEDLN Cc1cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)ccc1[N+](=O)[O-] ZINC000604455767 479521099 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Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3noc4c3C[C@@H](C)CC4)nc21 ZINC000576341069 479578752 /nfs/dbraw/zinc/57/87/52/479578752.db2.gz BNBOFZJBBMSPLM-JOYOIKCWSA-N 0 2 335.367 2.869 20 30 EFEDLN CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccn3c(=O)[nH]nc23)s1 ZINC000576925477 479586127 /nfs/dbraw/zinc/58/61/27/479586127.db2.gz CSZCHHUYEGQFEW-SNVBAGLBSA-N 0 2 341.396 2.679 20 30 EFEDLN CC(C)(C)c1cnc(C(C#N)C(=O)c2cccn3c(=O)[nH]nc23)s1 ZINC000576925477 479586134 /nfs/dbraw/zinc/58/61/34/479586134.db2.gz CSZCHHUYEGQFEW-SNVBAGLBSA-N 0 2 341.396 2.679 20 30 EFEDLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@](C)(C#N)C2)=N1 ZINC000612366926 479656270 /nfs/dbraw/zinc/65/62/70/479656270.db2.gz ZKDWOKQDFZNDTH-GOSISDBHSA-N 0 2 342.374 2.791 20 30 EFEDLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC[C@@](F)(C#N)C3)=N2)cc1 ZINC000615826387 479762253 /nfs/dbraw/zinc/76/22/53/479762253.db2.gz ZZNCBGUMEVPPLT-GOSISDBHSA-N 0 2 342.374 2.779 20 30 EFEDLN Cc1ccc(-c2cc(NS(=O)(=O)c3cccc(CC#N)c3)[nH]n2)o1 ZINC000619463971 479801609 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