smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC(=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2ccccc2n1 ZINC000822796016 946180278 /nfs/dbraw/zinc/18/02/78/946180278.db2.gz JYCLPBMDGNVPSE-FMIVXFBMSA-N -1 3 330.376 3.541 20 50 EHGDHM CCCc1ccc(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821138946 945639853 /nfs/dbraw/zinc/63/98/53/945639853.db2.gz LQAHHMQJWJUABJ-RIYZIHGNSA-N -1 3 349.419 3.671 20 50 EHGDHM CCCc1ccc(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821138946 945639857 /nfs/dbraw/zinc/63/98/57/945639857.db2.gz LQAHHMQJWJUABJ-RIYZIHGNSA-N -1 3 349.419 3.671 20 50 EHGDHM Cc1cc(C)c(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826263191 608216375 /nfs/dbraw/zinc/21/63/75/608216375.db2.gz PBNGWHBLXZEMRH-LICLKQGHSA-N -1 3 343.390 3.582 20 50 EHGDHM Cc1cc(C)c(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826263191 608216377 /nfs/dbraw/zinc/21/63/77/608216377.db2.gz PBNGWHBLXZEMRH-LICLKQGHSA-N -1 3 343.390 3.582 20 50 EHGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826266343 609506962 /nfs/dbraw/zinc/50/69/62/609506962.db2.gz LUELUHOPDQSDAP-OVCLIPMQSA-N -1 3 349.781 3.618 20 50 EHGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000826266343 609506963 /nfs/dbraw/zinc/50/69/63/609506963.db2.gz LUELUHOPDQSDAP-OVCLIPMQSA-N -1 3 349.781 3.618 20 50 EHGDHM CC(C)c1csc(C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000820198161 945372050 /nfs/dbraw/zinc/37/20/50/945372050.db2.gz RAOBQFIHIVQJDF-XGICHPGQSA-N -1 3 340.387 3.650 20 50 EHGDHM CC(C)c1csc(C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000820198161 945372063 /nfs/dbraw/zinc/37/20/63/945372063.db2.gz RAOBQFIHIVQJDF-XGICHPGQSA-N -1 3 340.387 3.650 20 50 EHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2ccccc2n1 ZINC000822795912 946180618 /nfs/dbraw/zinc/18/06/18/946180618.db2.gz IYQJTEIWWDMUSR-KPKJPENVSA-N -1 3 330.376 3.541 20 50 EHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)c1ccc2ccccc2n1 ZINC000822795912 946180626 /nfs/dbraw/zinc/18/06/26/946180626.db2.gz IYQJTEIWWDMUSR-KPKJPENVSA-N -1 3 330.376 3.541 20 50 EHGDHM C[C@H](CC(=O)[O-])NCc1nc(CO[Si](C)(C)C(C)(C)C)cs1 ZINC001603133204 972222874 /nfs/dbraw/zinc/22/28/74/972222874.db2.gz KROLUECUUQKFHF-LLVKDONJSA-N -1 3 344.553 3.618 20 50 EHGDHM O=C([O-])c1ccc(CNCc2ccc(OCCCCl)cc2)cc1 ZINC000859808182 969307902 /nfs/dbraw/zinc/30/79/02/969307902.db2.gz NWBWAMJTTWJUFC-UHFFFAOYSA-N -1 3 333.815 3.682 20 50 EHGDHM N#CC(=Cc1cccc(-c2nnn[n-]2)c1)c1nc2cc(F)ccc2s1 ZINC000737672715 945110717 /nfs/dbraw/zinc/11/07/17/945110717.db2.gz PRZORXGIEREJPT-KPKJPENVSA-N -1 3 348.366 3.680 20 50 EHGDHM N#CC(=Cc1cccc(-c2nn[n-]n2)c1)c1nc2cc(F)ccc2s1 ZINC000737672715 945110719 /nfs/dbraw/zinc/11/07/19/945110719.db2.gz PRZORXGIEREJPT-KPKJPENVSA-N -1 3 348.366 3.680 20 50 EHGDHM CC(C)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824347811 608215754 /nfs/dbraw/zinc/21/57/54/608215754.db2.gz OOZFZYRTRHPVRZ-ZDLGFXPLSA-N -1 3 343.390 3.780 20 50 EHGDHM CC(C)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824347811 608215756 /nfs/dbraw/zinc/21/57/56/608215756.db2.gz OOZFZYRTRHPVRZ-ZDLGFXPLSA-N -1 3 343.390 3.780 20 50 EHGDHM N#CC(=Cc1cccc(-c2nnn[n-]2)c1)c1nc2cc(F)ccc2s1 ZINC000737672713 945110668 /nfs/dbraw/zinc/11/06/68/945110668.db2.gz PRZORXGIEREJPT-GHXNOFRVSA-N -1 3 348.366 3.680 20 50 EHGDHM N#CC(=Cc1cccc(-c2nn[n-]n2)c1)c1nc2cc(F)ccc2s1 ZINC000737672713 945110670 /nfs/dbraw/zinc/11/06/70/945110670.db2.gz PRZORXGIEREJPT-GHXNOFRVSA-N -1 3 348.366 3.680 20 50 EHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2s1 ZINC000822796265 946181864 /nfs/dbraw/zinc/18/18/64/946181864.db2.gz OENOEKIHXPMJLC-KPKJPENVSA-N -1 3 348.366 3.680 20 50 EHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2s1 ZINC000822796265 946181870 /nfs/dbraw/zinc/18/18/70/946181870.db2.gz OENOEKIHXPMJLC-KPKJPENVSA-N -1 3 348.366 3.680 20 50 EHGDHM CC(C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1)=Cc1ccccc1 ZINC000823943560 608214412 /nfs/dbraw/zinc/21/44/12/608214412.db2.gz QKVFKOTUKQFURE-LQHTZKGQSA-N -1 3 341.374 3.603 20 50 EHGDHM CC(C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1)=Cc1ccccc1 ZINC000823943560 608214414 /nfs/dbraw/zinc/21/44/14/608214414.db2.gz QKVFKOTUKQFURE-LQHTZKGQSA-N -1 3 341.374 3.603 20 50 EHGDHM CC(C)c1csc(C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000824352426 608878392 /nfs/dbraw/zinc/87/83/92/608878392.db2.gz CUYHYOPYNYZVNN-WZUFQYTHSA-N -1 3 340.387 3.650 20 50 EHGDHM CC(C)c1csc(C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000824352426 608878396 /nfs/dbraw/zinc/87/83/96/608878396.db2.gz CUYHYOPYNYZVNN-WZUFQYTHSA-N -1 3 340.387 3.650 20 50 EHGDHM O=C([O-])c1ccccc1CNCc1ccc(OCCCCl)cc1 ZINC001595255492 949598454 /nfs/dbraw/zinc/59/84/54/949598454.db2.gz SMUKGCZVKDLXFJ-UHFFFAOYSA-N -1 3 333.815 3.682 20 50 EHGDHM O=C([O-])c1cccc(CNCc2ccc(OCCCCl)cc2)c1 ZINC000901571921 980387647 /nfs/dbraw/zinc/38/76/47/980387647.db2.gz AQGIPWZFMIGXOU-UHFFFAOYSA-N -1 3 333.815 3.682 20 50 EHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)c1nc2cc(F)ccc2s1 ZINC000826379729 607884935 /nfs/dbraw/zinc/88/49/35/607884935.db2.gz ZUIHWVZMUIVYDH-XFFZJAGNSA-N -1 3 348.366 3.680 20 50 EHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)c1nc2cc(F)ccc2s1 ZINC000826379729 607884936 /nfs/dbraw/zinc/88/49/36/607884936.db2.gz ZUIHWVZMUIVYDH-XFFZJAGNSA-N -1 3 348.366 3.680 20 50 EHGDHM CC(C)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824347810 608215876 /nfs/dbraw/zinc/21/58/76/608215876.db2.gz OOZFZYRTRHPVRZ-VCHYOVAHSA-N -1 3 343.390 3.780 20 50 EHGDHM CC(C)c1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824347810 608215878 /nfs/dbraw/zinc/21/58/78/608215878.db2.gz OOZFZYRTRHPVRZ-VCHYOVAHSA-N -1 3 343.390 3.780 20 50 EHGDHM CCCc1ccc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821138914 945640176 /nfs/dbraw/zinc/64/01/76/945640176.db2.gz KKNKJPMSFFLZIS-GXDHUFHOSA-N -1 3 349.419 3.671 20 50 EHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2s1 ZINC000822796228 946182818 /nfs/dbraw/zinc/18/28/18/946182818.db2.gz NGVVIOZHOIBCPF-UITAMQMPSA-N -1 3 336.405 3.602 20 50 EHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2s1 ZINC000822796228 946182831 /nfs/dbraw/zinc/18/28/31/946182831.db2.gz NGVVIOZHOIBCPF-UITAMQMPSA-N -1 3 336.405 3.602 20 50 EHGDHM CC(C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1)=Cc1ccccc1 ZINC000823943551 608214389 /nfs/dbraw/zinc/21/43/89/608214389.db2.gz QKVFKOTUKQFURE-FJYMYNMMSA-N -1 3 341.374 3.603 20 50 EHGDHM CC(C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1)=Cc1ccccc1 ZINC000823943551 608214391 /nfs/dbraw/zinc/21/43/91/608214391.db2.gz QKVFKOTUKQFURE-FJYMYNMMSA-N -1 3 341.374 3.603 20 50 EHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC000826379228 607883558 /nfs/dbraw/zinc/88/35/58/607883558.db2.gz MRDPQUZJYADGOI-FMIVXFBMSA-N -1 3 330.376 3.541 20 50 EHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC000826379228 607883559 /nfs/dbraw/zinc/88/35/59/607883559.db2.gz MRDPQUZJYADGOI-FMIVXFBMSA-N -1 3 330.376 3.541 20 50 EHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)c1nc2cc(F)ccc2s1 ZINC000737671671 945108320 /nfs/dbraw/zinc/10/83/20/945108320.db2.gz HWTSLLPRFIQEBK-GHXNOFRVSA-N -1 3 348.366 3.680 20 50 EHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)c1nc2cc(F)ccc2s1 ZINC000737671671 945108324 /nfs/dbraw/zinc/10/83/24/945108324.db2.gz HWTSLLPRFIQEBK-GHXNOFRVSA-N -1 3 348.366 3.680 20 50 EHGDHM CC(C)c1csc(C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC000820197200 945371875 /nfs/dbraw/zinc/37/18/75/945371875.db2.gz HIMWMTFWBSSSHL-UITAMQMPSA-N -1 3 328.426 3.572 20 50 EHGDHM CC(C)(C)[Si](C)(C)OCc1csc(CNCCCC(=O)[O-])n1 ZINC001588739663 961156884 /nfs/dbraw/zinc/15/68/84/961156884.db2.gz VXABJUAWKMMNJS-UHFFFAOYSA-N -1 3 344.553 3.619 20 50 EHGDHM O=C([O-])Cc1ccc(CNCc2ccc(OCCCCl)cc2)cc1 ZINC000859820339 979653137 /nfs/dbraw/zinc/65/31/37/979653137.db2.gz QKHNKKRCRMPLLA-UHFFFAOYSA-N -1 3 347.842 3.611 20 50 EHGDHM CC[C@H](NCc1nc(CO[Si](C)(C)C(C)(C)C)cs1)C(=O)[O-] ZINC001603959296 974435225 /nfs/dbraw/zinc/43/52/25/974435225.db2.gz AMMFLGUNZLQQMR-LBPRGKRZSA-N -1 3 344.553 3.618 20 50 EHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2s1 ZINC000822796474 946184941 /nfs/dbraw/zinc/18/49/41/946184941.db2.gz SEBXVAOAUOUIIY-CLFYSBASSA-N -1 3 336.405 3.602 20 50 EHGDHM CSSCCN[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001599803877 988222704 /nfs/dbraw/zinc/22/27/04/988222704.db2.gz DZFHRQYNEVSQNK-SNVBAGLBSA-N -1 3 326.270 3.720 20 50 EHGDHM CC(C)c1csc(C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)n1 ZINC000820196766 945369482 /nfs/dbraw/zinc/36/94/82/945369482.db2.gz CGZPADHHBHDDLC-OQFOIZHKSA-N -1 3 328.426 3.572 20 50 EHGDHM CC(C)c1csc(C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)n1 ZINC000820196766 945369472 /nfs/dbraw/zinc/36/94/72/945369472.db2.gz CGZPADHHBHDDLC-OQFOIZHKSA-N -1 3 328.426 3.572 20 50 EHGDHM CC(C)c1csc(C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)n1 ZINC000820196770 945369700 /nfs/dbraw/zinc/36/97/00/945369700.db2.gz CGZPADHHBHDDLC-YCRREMRBSA-N -1 3 328.426 3.572 20 50 EHGDHM CC(C)c1csc(C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)n1 ZINC000820196770 945369711 /nfs/dbraw/zinc/36/97/11/945369711.db2.gz CGZPADHHBHDDLC-YCRREMRBSA-N -1 3 328.426 3.572 20 50 EHGDHM CCCc1ccc(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821138947 945640665 /nfs/dbraw/zinc/64/06/65/945640665.db2.gz LQAHHMQJWJUABJ-ZSOIEALJSA-N -1 3 349.419 3.671 20 50 EHGDHM CCCc1ccc(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821138947 945640670 /nfs/dbraw/zinc/64/06/70/945640670.db2.gz LQAHHMQJWJUABJ-ZSOIEALJSA-N -1 3 349.419 3.671 20 50 EHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)c1nc2ccccc2s1 ZINC000822796229 946182733 /nfs/dbraw/zinc/18/27/33/946182733.db2.gz NGVVIOZHOIBCPF-WEVVVXLNSA-N -1 3 336.405 3.602 20 50 EHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)c1nc2ccccc2s1 ZINC000822796229 946182740 /nfs/dbraw/zinc/18/27/40/946182740.db2.gz NGVVIOZHOIBCPF-WEVVVXLNSA-N -1 3 336.405 3.602 20 50 EHGDHM Cc1cc(C)c(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826263401 608216279 /nfs/dbraw/zinc/21/62/79/608216279.db2.gz ZOHDBWXUPOZPIO-VCHYOVAHSA-N -1 3 343.390 3.582 20 50 EHGDHM Cc1cc(C)c(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826263401 608216280 /nfs/dbraw/zinc/21/62/80/608216280.db2.gz ZOHDBWXUPOZPIO-VCHYOVAHSA-N -1 3 343.390 3.582 20 50 EHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2ccccc2n1 ZINC000826379307 607916897 /nfs/dbraw/zinc/91/68/97/607916897.db2.gz OLHWHWJNEJWOLS-ZROIWOOFSA-N -1 3 342.337 3.618 20 50 EHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2ccccc2n1 ZINC000826379307 607916898 /nfs/dbraw/zinc/91/68/98/607916898.db2.gz OLHWHWJNEJWOLS-ZROIWOOFSA-N -1 3 342.337 3.618 20 50 EHGDHM N#CC(=Cc1ccccc1C1CC1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378937 608216982 /nfs/dbraw/zinc/21/69/82/608216982.db2.gz FKHJODHKBXDJAU-YVLHZVERSA-N -1 3 341.374 3.534 20 50 EHGDHM N#CC(=Cc1ccccc1C1CC1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378937 608216985 /nfs/dbraw/zinc/21/69/85/608216985.db2.gz FKHJODHKBXDJAU-YVLHZVERSA-N -1 3 341.374 3.534 20 50 EHGDHM CCCc1ccc(C(=O)C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821138915 945640859 /nfs/dbraw/zinc/64/08/59/945640859.db2.gz KKNKJPMSFFLZIS-UVTDQMKNSA-N -1 3 349.419 3.671 20 50 EHGDHM Cc1cc(C)c(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826263192 608216398 /nfs/dbraw/zinc/21/63/98/608216398.db2.gz PBNGWHBLXZEMRH-YVLHZVERSA-N -1 3 343.390 3.582 20 50 EHGDHM Cc1cc(C)c(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826263192 608216400 /nfs/dbraw/zinc/21/64/00/608216400.db2.gz PBNGWHBLXZEMRH-YVLHZVERSA-N -1 3 343.390 3.582 20 50 EHGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000826266342 609506937 /nfs/dbraw/zinc/50/69/37/609506937.db2.gz LUELUHOPDQSDAP-NVNXTCNLSA-N -1 3 349.781 3.618 20 50 EHGDHM Cc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000826266342 609506939 /nfs/dbraw/zinc/50/69/39/609506939.db2.gz LUELUHOPDQSDAP-NVNXTCNLSA-N -1 3 349.781 3.618 20 50 EHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)c1nc2ccccc2s1 ZINC000822796264 946183147 /nfs/dbraw/zinc/18/31/47/946183147.db2.gz OENOEKIHXPMJLC-GHXNOFRVSA-N -1 3 348.366 3.680 20 50 EHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)c1nc2ccccc2s1 ZINC000822796264 946183159 /nfs/dbraw/zinc/18/31/59/946183159.db2.gz OENOEKIHXPMJLC-GHXNOFRVSA-N -1 3 348.366 3.680 20 50 EHGDHM CCCc1ccc(C(=O)C(C#N)=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000825348526 607883447 /nfs/dbraw/zinc/88/34/47/607883447.db2.gz OWUZFIIKCCSFCY-SFQUDFHCSA-N -1 3 343.390 3.609 20 50 EHGDHM CCCc1ccc(C(=O)C(C#N)=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000825348526 607883448 /nfs/dbraw/zinc/88/34/48/607883448.db2.gz OWUZFIIKCCSFCY-SFQUDFHCSA-N -1 3 343.390 3.609 20 50 EHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)c1ccc2ccccc2n1 ZINC000822796017 946178935 /nfs/dbraw/zinc/17/89/35/946178935.db2.gz JYCLPBMDGNVPSE-XFXZXTDPSA-N -1 3 330.376 3.541 20 50 EHGDHM CC(C)(C)[Si](C)(C)O[C@H]1CCN(Cc2ccccc2CC(=O)[O-])C1 ZINC001590451109 990010971 /nfs/dbraw/zinc/01/09/71/990010971.db2.gz ANPBOBHXJBKATC-KRWDZBQOSA-N -1 3 349.547 3.910 20 50 EHGDHM C[C@@H](CC(=O)[O-])NCc1nc(CO[Si](C)(C)C(C)(C)C)cs1 ZINC001603133207 972222918 /nfs/dbraw/zinc/22/29/18/972222918.db2.gz KROLUECUUQKFHF-NSHDSACASA-N -1 3 344.553 3.618 20 50 EHGDHM CC(C)c1csc(C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000824352425 608878517 /nfs/dbraw/zinc/87/85/17/608878517.db2.gz CUYHYOPYNYZVNN-VZUCSPMQSA-N -1 3 340.387 3.650 20 50 EHGDHM CC(C)c1csc(C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000824352425 608878520 /nfs/dbraw/zinc/87/85/20/608878520.db2.gz CUYHYOPYNYZVNN-VZUCSPMQSA-N -1 3 340.387 3.650 20 50 EHGDHM CC(C)(C)[Si](C)(C)O[C@@H]1CCN(Cc2ccccc2CC(=O)[O-])C1 ZINC001590451111 990010855 /nfs/dbraw/zinc/01/08/55/990010855.db2.gz ANPBOBHXJBKATC-QGZVFWFLSA-N -1 3 349.547 3.910 20 50 EHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)c1nc2ccccc2s1 ZINC000826379229 607883543 /nfs/dbraw/zinc/88/35/43/607883543.db2.gz MRDPQUZJYADGOI-XFXZXTDPSA-N -1 3 330.376 3.541 20 50 EHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)c1nc2ccccc2s1 ZINC000826379229 607883544 /nfs/dbraw/zinc/88/35/44/607883544.db2.gz MRDPQUZJYADGOI-XFXZXTDPSA-N -1 3 330.376 3.541 20 50 EHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2ccccc2n1 ZINC000826379306 607916906 /nfs/dbraw/zinc/91/69/06/607916906.db2.gz OLHWHWJNEJWOLS-NTEUORMPSA-N -1 3 342.337 3.618 20 50 EHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2ccccc2n1 ZINC000826379306 607916907 /nfs/dbraw/zinc/91/69/07/607916907.db2.gz OLHWHWJNEJWOLS-NTEUORMPSA-N -1 3 342.337 3.618 20 50 EHGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)c1nc2cc(F)ccc2s1 ZINC000826379730 607884818 /nfs/dbraw/zinc/88/48/18/607884818.db2.gz ZUIHWVZMUIVYDH-YRNVUSSQSA-N -1 3 348.366 3.680 20 50 EHGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)c1nc2cc(F)ccc2s1 ZINC000826379730 607884819 /nfs/dbraw/zinc/88/48/19/607884819.db2.gz ZUIHWVZMUIVYDH-YRNVUSSQSA-N -1 3 348.366 3.680 20 50 EHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1)c1nc2cc(F)ccc2s1 ZINC000737671675 945108818 /nfs/dbraw/zinc/10/88/18/945108818.db2.gz HWTSLLPRFIQEBK-KPKJPENVSA-N -1 3 348.366 3.680 20 50 EHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1)c1nc2cc(F)ccc2s1 ZINC000737671675 945108825 /nfs/dbraw/zinc/10/88/25/945108825.db2.gz HWTSLLPRFIQEBK-KPKJPENVSA-N -1 3 348.366 3.680 20 50 EHGDHM CC(C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1)=Cc1ccccc1 ZINC000823943562 608214492 /nfs/dbraw/zinc/21/44/92/608214492.db2.gz 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ZINC000823943558 608214343 /nfs/dbraw/zinc/21/43/43/608214343.db2.gz QKVFKOTUKQFURE-HIMLSBAZSA-N -1 3 341.374 3.603 20 50 EHGDHM CC(C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1)=Cc1ccccc1 ZINC000823943558 608214345 /nfs/dbraw/zinc/21/43/45/608214345.db2.gz QKVFKOTUKQFURE-HIMLSBAZSA-N -1 3 341.374 3.603 20 50 EHGDHM CC(C)c1csc(C(C#N)=Cc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000820198159 945372432 /nfs/dbraw/zinc/37/24/32/945372432.db2.gz RAOBQFIHIVQJDF-LFYBBSHMSA-N -1 3 340.387 3.650 20 50 EHGDHM CC(C)c1csc(C(C#N)=Cc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000820198159 945372445 /nfs/dbraw/zinc/37/24/45/945372445.db2.gz RAOBQFIHIVQJDF-LFYBBSHMSA-N -1 3 340.387 3.650 20 50 EHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1nc2ccccc2s1 ZINC000826379545 608875039 /nfs/dbraw/zinc/87/50/39/608875039.db2.gz VCMBMDIUQIVQEK-XFFZJAGNSA-N -1 3 348.366 3.680 20 50 EHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1nc2ccccc2s1 ZINC000826379545 608875042 /nfs/dbraw/zinc/87/50/42/608875042.db2.gz VCMBMDIUQIVQEK-XFFZJAGNSA-N -1 3 348.366 3.680 20 50 EHGDHM N#CC(=Cc1ccoc1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737670544 945108733 /nfs/dbraw/zinc/10/87/33/945108733.db2.gz CPIJEXFLUQWELK-AUWJEWJLSA-N -1 3 346.375 3.647 20 50 EHGDHM N#CC(=Cc1ccoc1)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737670544 945108739 /nfs/dbraw/zinc/10/87/39/945108739.db2.gz CPIJEXFLUQWELK-AUWJEWJLSA-N -1 3 346.375 3.647 20 50 EHGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)c1ccc2ccccc2n1 ZINC000822795906 946179861 /nfs/dbraw/zinc/17/98/61/946179861.db2.gz IYQJTEIWWDMUSR-GHXNOFRVSA-N -1 3 330.376 3.541 20 50 EHGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)c1ccc2ccccc2n1 ZINC000822795906 946179872 /nfs/dbraw/zinc/17/98/72/946179872.db2.gz IYQJTEIWWDMUSR-GHXNOFRVSA-N -1 3 330.376 3.541 20 50 EHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc2ccccc2n1 ZINC000822795427 946175541 /nfs/dbraw/zinc/17/55/41/946175541.db2.gz AGXRYAXJAADHRM-DHDCSXOGSA-N -1 3 342.337 3.618 20 50 EHGDHM N#CC(=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc2ccccc2n1 ZINC000822795427 946175545 /nfs/dbraw/zinc/17/55/45/946175545.db2.gz AGXRYAXJAADHRM-DHDCSXOGSA-N -1 3 342.337 3.618 20 50 EHGDHM N#CC(=Cc1ccc(-c2nnn[n-]2)s1)c1nc2ccccc2s1 ZINC000822796475 946184826 /nfs/dbraw/zinc/18/48/26/946184826.db2.gz SEBXVAOAUOUIIY-VQHVLOKHSA-N -1 3 336.405 3.602 20 50 EHGDHM N#CC(=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1nc2ccccc2s1 ZINC000826379546 608875278 /nfs/dbraw/zinc/87/52/78/608875278.db2.gz VCMBMDIUQIVQEK-YRNVUSSQSA-N -1 3 348.366 3.680 20 50 EHGDHM N#CC(=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1nc2ccccc2s1 ZINC000826379546 608875280 /nfs/dbraw/zinc/87/52/80/608875280.db2.gz VCMBMDIUQIVQEK-YRNVUSSQSA-N -1 3 348.366 3.680 20 50 EHGDHM Cc1cc(C)c(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826263402 608216614 /nfs/dbraw/zinc/21/66/14/608216614.db2.gz ZOHDBWXUPOZPIO-ZDLGFXPLSA-N -1 3 343.390 3.582 20 50 EHGDHM Cc1cc(C)c(C=C(C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826263402 608216615 /nfs/dbraw/zinc/21/66/15/608216615.db2.gz ZOHDBWXUPOZPIO-ZDLGFXPLSA-N -1 3 343.390 3.582 20 50 EHGDHM N#CC(=Cc1ccccc1C1CC1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826378936 608217225 /nfs/dbraw/zinc/21/72/25/608217225.db2.gz FKHJODHKBXDJAU-LICLKQGHSA-N -1 3 341.374 3.534 20 50 EHGDHM N#CC(=Cc1ccccc1C1CC1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826378936 608217227 /nfs/dbraw/zinc/21/72/27/608217227.db2.gz FKHJODHKBXDJAU-LICLKQGHSA-N -1 3 341.374 3.534 20 50 EHGDHM CC(C)c1csc(C(C#N)=Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC000820197203 945372181 /nfs/dbraw/zinc/37/21/81/945372181.db2.gz HIMWMTFWBSSSHL-WEVVVXLNSA-N -1 3 328.426 3.572 20 50 EHGDHM N#CC(=Cc1ccoc1)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000737670556 945108975 /nfs/dbraw/zinc/10/89/75/945108975.db2.gz CPIJEXFLUQWELK-VGOFMYFVSA-N -1 3 346.375 3.647 20 50 EHGDHM N#CC(=Cc1ccoc1)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000737670556 945108985 /nfs/dbraw/zinc/10/89/85/945108985.db2.gz CPIJEXFLUQWELK-VGOFMYFVSA-N -1 3 346.375 3.647 20 50 EHGDHM CSSCCN[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001599803874 988223059 /nfs/dbraw/zinc/22/30/59/988223059.db2.gz DZFHRQYNEVSQNK-JTQLQIEISA-N -1 3 326.270 3.720 20 50 EHGDHM