smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC(CNc2ncc(Br)cc2C#N)([NH+]2CCCCC2)CC1 ZINC000450355698 566662473 /nfs/dbraw/zinc/66/24/73/566662473.db2.gz DGQOMONQBJQION-UHFFFAOYSA-N 2 2 392.345 3.078 10 30 GGEELP Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000129842078 1416272746 /nfs/dbraw/zinc/27/27/46/1416272746.db2.gz BOHANJWNGJZYLZ-WIYYLYMNSA-N 2 2 379.508 3.330 10 30 GGEELP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000129842078 1416272750 /nfs/dbraw/zinc/27/27/50/1416272750.db2.gz BOHANJWNGJZYLZ-WIYYLYMNSA-N 2 2 379.508 3.330 10 30 GGEELP CC[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262012660 1433922021 /nfs/dbraw/zinc/92/20/21/1433922021.db2.gz WZWJEWRGZCFLIF-SSCXBUAASA-N 2 2 377.536 3.317 10 30 GGEELP C=CCC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2cccc(F)c2)CC1 ZINC000036340177 518727423 /nfs/dbraw/zinc/72/74/23/518727423.db2.gz NYUCISYUEGSYAO-NRFANRHFSA-N 2 2 398.526 3.272 10 30 GGEELP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000370730416 565158201 /nfs/dbraw/zinc/15/82/01/565158201.db2.gz NXAUFJRMVOEFBJ-CYBMUJFWSA-N 2 2 392.297 3.393 10 30 GGEELP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1OC ZINC000370730416 565158203 /nfs/dbraw/zinc/15/82/03/565158203.db2.gz NXAUFJRMVOEFBJ-CYBMUJFWSA-N 2 2 392.297 3.393 10 30 GGEELP C=CCOc1c(Br)cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000370730417 565158249 /nfs/dbraw/zinc/15/82/49/565158249.db2.gz NXAUFJRMVOEFBJ-ZDUSSCGKSA-N 2 2 392.297 3.393 10 30 GGEELP C=CCOc1c(Br)cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1OC ZINC000370730417 565158252 /nfs/dbraw/zinc/15/82/52/565158252.db2.gz NXAUFJRMVOEFBJ-ZDUSSCGKSA-N 2 2 392.297 3.393 10 30 GGEELP Cc1cc(Br)cn2cc(CC[NH2+]Cc3nc(C#N)cs3)[nH+]c12 ZINC000582032171 566824519 /nfs/dbraw/zinc/82/45/19/566824519.db2.gz VUPCAQCRYUAOTD-UHFFFAOYSA-N 2 2 376.283 3.066 10 30 GGEELP N#Cc1cc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)ccn1 ZINC000586774843 567095759 /nfs/dbraw/zinc/09/57/59/567095759.db2.gz NVWPPKUISXCZIV-UHFFFAOYSA-N 2 2 386.253 3.208 10 30 GGEELP N#Cc1cc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)ccn1 ZINC000586774843 567095762 /nfs/dbraw/zinc/09/57/62/567095762.db2.gz NVWPPKUISXCZIV-UHFFFAOYSA-N 2 2 386.253 3.208 10 30 GGEELP C=CCOc1c(Br)cc(C[NH2+]CCc2cn(C)c[nH+]2)cc1OCC ZINC000459671285 567648373 /nfs/dbraw/zinc/64/83/73/567648373.db2.gz WHWZFAVCKFVRAN-UHFFFAOYSA-N 2 2 394.313 3.478 10 30 GGEELP C[NH+]=C(NCCNc1ccc2ccccc2n1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261950635 1433915805 /nfs/dbraw/zinc/91/58/05/1433915805.db2.gz HFGGRUBAYMPVFO-PXNSSMCTSA-N 2 2 391.523 3.002 10 30 GGEELP CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261962828 1433917204 /nfs/dbraw/zinc/91/72/04/1433917204.db2.gz KQJUWBIYFHRTMU-CMKODMSKSA-N 2 2 381.524 3.298 10 30 GGEELP C[NH+]=C(NCc1cc(Br)cs1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261984229 1433919005 /nfs/dbraw/zinc/91/90/05/1433919005.db2.gz PRANDYTZVSWKQL-SWLSCSKDSA-N 2 2 396.358 3.366 10 30 GGEELP C[NH+]=C(NCc1cc(Br)cs1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261984230 1433919034 /nfs/dbraw/zinc/91/90/34/1433919034.db2.gz PRANDYTZVSWKQL-WFASDCNBSA-N 2 2 396.358 3.366 10 30 GGEELP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000190433630 212061500 /nfs/dbraw/zinc/06/15/00/212061500.db2.gz OKROVBZVNBYCLJ-VXKWHMMOSA-N 2 2 393.535 3.249 10 30 GGEELP C=CCC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2C)CC1 ZINC000036340123 518727181 /nfs/dbraw/zinc/72/71/81/518727181.db2.gz FKUVTVBBECQGHP-QFIPXVFZSA-N 2 2 394.563 3.442 10 30 GGEELP C=CCOc1c(Br)cc(C[NH2+]CCCn2cc[nH+]c2)cc1OC ZINC000028426931 564362612 /nfs/dbraw/zinc/36/26/12/564362612.db2.gz IBXISOHXTIGPPV-UHFFFAOYSA-N 2 2 380.286 3.399 10 30 GGEELP C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160038408 1424565781 /nfs/dbraw/zinc/56/57/81/1424565781.db2.gz GLEXKAJKURXAAU-OKYOBFRVSA-N 2 2 375.561 3.183 10 30 GGEELP Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000245559349 1433485170 /nfs/dbraw/zinc/48/51/70/1433485170.db2.gz BOHANJWNGJZYLZ-NQIIRXRSSA-N 2 2 379.508 3.330 10 30 GGEELP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000245559349 1433485171 /nfs/dbraw/zinc/48/51/71/1433485171.db2.gz BOHANJWNGJZYLZ-NQIIRXRSSA-N 2 2 379.508 3.330 10 30 GGEELP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000328646866 212089429 /nfs/dbraw/zinc/08/94/29/212089429.db2.gz SVGVGNCIGAUSLZ-XZOQPEGZSA-N 2 2 393.535 3.249 10 30 GGEELP C=CCC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2cccc(F)c2)CC1 ZINC000036340176 518720411 /nfs/dbraw/zinc/72/04/11/518720411.db2.gz NYUCISYUEGSYAO-OAQYLSRUSA-N 2 2 398.526 3.272 10 30 GGEELP C=CCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1OC ZINC000530179244 567580387 /nfs/dbraw/zinc/58/03/87/567580387.db2.gz WKRZGMXMBLLSCD-INIZCTEOSA-N 2 2 381.314 3.397 10 30 GGEELP C=CCOc1c(Br)cc(C[NH2+]CCc2cn(C)c[nH+]2)cc1OC ZINC000459665526 567648835 /nfs/dbraw/zinc/64/88/35/567648835.db2.gz QJQZYFQEDHUYIW-UHFFFAOYSA-N 2 2 380.286 3.088 10 30 GGEELP Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000245559350 1433485156 /nfs/dbraw/zinc/48/51/56/1433485156.db2.gz BOHANJWNGJZYLZ-RXVVDRJESA-N 2 2 379.508 3.330 10 30 GGEELP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1C ZINC000245559350 1433485157 /nfs/dbraw/zinc/48/51/57/1433485157.db2.gz BOHANJWNGJZYLZ-RXVVDRJESA-N 2 2 379.508 3.330 10 30 GGEELP CC[NH+]=C(NCc1cccc2c1OCCCO2)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262004059 1433921071 /nfs/dbraw/zinc/92/10/71/1433921071.db2.gz VCERPQNLFMUDMD-HKUYNNGSSA-N 2 2 397.523 3.093 10 30 GGEELP C=CCC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2C)CC1 ZINC000036340122 518720528 /nfs/dbraw/zinc/72/05/28/518720528.db2.gz FKUVTVBBECQGHP-JOCHJYFZSA-N 2 2 394.563 3.442 10 30 GGEELP C=CCC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2)CC1 ZINC000036340426 518721199 /nfs/dbraw/zinc/72/11/99/518721199.db2.gz KSQPJBJZCKKUBM-OAQYLSRUSA-N 2 2 380.536 3.133 10 30 GGEELP C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1OC ZINC000530179245 567580212 /nfs/dbraw/zinc/58/02/12/567580212.db2.gz WKRZGMXMBLLSCD-MRXNPFEDSA-N 2 2 381.314 3.397 10 30 GGEELP Cc1c(C[NH2+][C@H](C)CC[NH+]2CCN(c3cccc(C)c3)CC2)cc(C#N)n1C ZINC000048363588 570245028 /nfs/dbraw/zinc/24/50/28/570245028.db2.gz ZIXXXBIGYDYCJP-LJQANCHMSA-N 2 2 379.552 3.204 10 30 GGEELP Cc1c(C[NH2+][C@@H](C)CC[NH+]2CCN(c3cccc(C)c3)CC2)cc(C#N)n1C ZINC000048363591 570245089 /nfs/dbraw/zinc/24/50/89/570245089.db2.gz ZIXXXBIGYDYCJP-IBGZPJMESA-N 2 2 379.552 3.204 10 30 GGEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCO[C@@H]3c3ccncc3)CC2)cc1 ZINC000275394174 570692327 /nfs/dbraw/zinc/69/23/27/570692327.db2.gz CDDOVOGHIVTGLQ-XZOQPEGZSA-N 2 2 376.504 3.428 10 30 GGEELP C[NH+]=C(NCC(C)(C)c1cccc(F)c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000095964945 1410317458 /nfs/dbraw/zinc/31/74/58/1410317458.db2.gz HNHPLPDQNDODJM-UHFFFAOYSA-N 2 2 383.515 3.332 10 30 GGEELP Cc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000129841832 1416272642 /nfs/dbraw/zinc/27/26/42/1416272642.db2.gz BOHANJWNGJZYLZ-GHTZIAJQSA-N 2 2 379.508 3.330 10 30 GGEELP Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1C ZINC000129841832 1416272644 /nfs/dbraw/zinc/27/26/44/1416272644.db2.gz BOHANJWNGJZYLZ-GHTZIAJQSA-N 2 2 379.508 3.330 10 30 GGEELP CC[NH+]=C(NCCc1c[nH]c2ccccc12)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261946071 1433915279 /nfs/dbraw/zinc/91/52/79/1433915279.db2.gz FYUPWWAUKDRUDD-UWJYYQICSA-N 2 2 378.524 3.456 10 30 GGEELP C[NH+]=C(NCCNc1ccc2ccccc2n1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261950634 1433916078 /nfs/dbraw/zinc/91/60/78/1433916078.db2.gz HFGGRUBAYMPVFO-FXAWDEMLSA-N 2 2 391.523 3.002 10 30 GGEELP CC[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262012658 1433922038 /nfs/dbraw/zinc/92/20/38/1433922038.db2.gz WZWJEWRGZCFLIF-JDNQWYDXSA-N 2 2 377.536 3.317 10 30 GGEELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C#N)ccc2OC)[C@@H]1c1cnn(C)c1 ZINC000328645672 206237439 /nfs/dbraw/zinc/23/74/39/206237439.db2.gz SGYWNUJGKUIYFT-PGRDOPGGSA-N 2 2 381.524 3.205 10 30 GGEELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cc(C#N)ccc2OC)[C@@H]1c1cnn(C)c1 ZINC000328645672 206237444 /nfs/dbraw/zinc/23/74/44/206237444.db2.gz SGYWNUJGKUIYFT-PGRDOPGGSA-N 2 2 381.524 3.205 10 30 GGEELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cc(C#N)ccc2OC)[C@@H]1c1cnn(C)c1 ZINC000328645672 206237446 /nfs/dbraw/zinc/23/74/46/206237446.db2.gz SGYWNUJGKUIYFT-PGRDOPGGSA-N 2 2 381.524 3.205 10 30 GGEELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cc(C#N)ccc2OC)[C@@H]1c1cnn(C)c1 ZINC000328645672 206237452 /nfs/dbraw/zinc/23/74/52/206237452.db2.gz SGYWNUJGKUIYFT-PGRDOPGGSA-N 2 2 381.524 3.205 10 30 GGEELP C#CCOc1ccc(Br)cc1C[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000042226971 564445028 /nfs/dbraw/zinc/44/50/28/564445028.db2.gz OFPZRTBLNIVFPL-UHFFFAOYSA-N 2 2 397.276 3.332 10 30 GGEELP CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000129540724 1416224879 /nfs/dbraw/zinc/22/48/79/1416224879.db2.gz GDKLPXCPOVSPAJ-WIYYLYMNSA-N 2 2 395.507 3.112 10 30 GGEELP CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000129540724 1416224884 /nfs/dbraw/zinc/22/48/84/1416224884.db2.gz GDKLPXCPOVSPAJ-WIYYLYMNSA-N 2 2 395.507 3.112 10 30 GGEELP CC[NH+]=C(NCCc1c[nH]c2ccccc12)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261946068 1433915238 /nfs/dbraw/zinc/91/52/38/1433915238.db2.gz FYUPWWAUKDRUDD-LAUBAEHRSA-N 2 2 378.524 3.456 10 30 GGEELP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCOc2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000328626019 209149145 /nfs/dbraw/zinc/14/91/45/209149145.db2.gz DSCNOPWUNMNXGL-SIKLNZKXSA-N 2 2 381.524 3.076 10 30 GGEELP CC[N@H+]1CCC[C@@H](C[NH+](C)CCOc2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000328626019 209149148 /nfs/dbraw/zinc/14/91/48/209149148.db2.gz DSCNOPWUNMNXGL-SIKLNZKXSA-N 2 2 381.524 3.076 10 30 GGEELP CC[NH+]1CCC[C@@H](C[N@H+](C)CCOc2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000328626019 209149151 /nfs/dbraw/zinc/14/91/51/209149151.db2.gz DSCNOPWUNMNXGL-SIKLNZKXSA-N 2 2 381.524 3.076 10 30 GGEELP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCOc2ccc(C#N)cc2)[C@@H]1c1cnn(C)c1 ZINC000328626019 209149156 /nfs/dbraw/zinc/14/91/56/209149156.db2.gz DSCNOPWUNMNXGL-SIKLNZKXSA-N 2 2 381.524 3.076 10 30 GGEELP C=CCOc1c(Br)cc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1OCC ZINC000663498519 567512659 /nfs/dbraw/zinc/51/26/59/567512659.db2.gz OUNOAZXWNKNWEF-UHFFFAOYSA-N 2 2 381.314 3.254 10 30 GGEELP N#Cc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)o1 ZINC000554884211 567754253 /nfs/dbraw/zinc/75/42/53/567754253.db2.gz VYNPHFOJBHOGBP-UHFFFAOYSA-N 2 2 375.226 3.406 10 30 GGEELP N#Cc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)o1 ZINC000554884211 567754255 /nfs/dbraw/zinc/75/42/55/567754255.db2.gz VYNPHFOJBHOGBP-UHFFFAOYSA-N 2 2 375.226 3.406 10 30 GGEELP C=CCOc1c(Br)cc(C[N@H+](C)CC2C[NH+](C)C2)cc1OCC ZINC000668538293 567813254 /nfs/dbraw/zinc/81/32/54/567813254.db2.gz YZVYLEOLLMBTIR-UHFFFAOYSA-N 2 2 383.330 3.406 10 30 GGEELP C=CCOc1c(Br)cc(C[N@@H+](C)CC2C[NH+](C)C2)cc1OCC ZINC000668538293 567813256 /nfs/dbraw/zinc/81/32/56/567813256.db2.gz YZVYLEOLLMBTIR-UHFFFAOYSA-N 2 2 383.330 3.406 10 30 GGEELP CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000129540497 1416225031 /nfs/dbraw/zinc/22/50/31/1416225031.db2.gz GDKLPXCPOVSPAJ-GHTZIAJQSA-N 2 2 395.507 3.112 10 30 GGEELP CCOc1ccc(N(CCC#N)C(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000129540497 1416225034 /nfs/dbraw/zinc/22/50/34/1416225034.db2.gz GDKLPXCPOVSPAJ-GHTZIAJQSA-N 2 2 395.507 3.112 10 30 GGEELP C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160038198 1424565190 /nfs/dbraw/zinc/56/51/90/1424565190.db2.gz GLEXKAJKURXAAU-VJANTYMQSA-N 2 2 375.561 3.183 10 30 GGEELP CC[NH+]=C(NCc1cccc2c1OCCCO2)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262004066 1433921061 /nfs/dbraw/zinc/92/10/61/1433921061.db2.gz VCERPQNLFMUDMD-PKOBYXMFSA-N 2 2 397.523 3.093 10 30 GGEELP C=CCC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccccc2)CC1 ZINC000036340427 518728352 /nfs/dbraw/zinc/72/83/52/518728352.db2.gz KSQPJBJZCKKUBM-NRFANRHFSA-N 2 2 380.536 3.133 10 30 GGEELP C#CCOc1ccc(Br)cc1C[NH2+]Cc1ccnc(-n2cc[nH+]c2)c1 ZINC000236727075 565943622 /nfs/dbraw/zinc/94/36/22/565943622.db2.gz BZSVRICJEALTPX-UHFFFAOYSA-N 2 2 397.276 3.332 10 30 GGEELP C=CCOc1c(Br)cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000415050512 565972035 /nfs/dbraw/zinc/97/20/35/565972035.db2.gz DCWSQVXTPFSNSZ-FZKQIMNGSA-N 2 2 383.330 3.439 10 30 GGEELP C=CCOc1c(Br)cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000415050512 565972038 /nfs/dbraw/zinc/97/20/38/565972038.db2.gz DCWSQVXTPFSNSZ-FZKQIMNGSA-N 2 2 383.330 3.439 10 30 GGEELP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000483205202 566364724 /nfs/dbraw/zinc/36/47/24/566364724.db2.gz VSDJSTIVEVRGDD-UHFFFAOYSA-N 2 2 387.281 3.047 10 30 GGEELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000483218682 566364829 /nfs/dbraw/zinc/36/48/29/566364829.db2.gz HXVQTKUVTGBTEL-UHFFFAOYSA-N 2 2 387.281 3.047 10 30 GGEELP CC[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261962825 1433917246 /nfs/dbraw/zinc/91/72/46/1433917246.db2.gz KQJUWBIYFHRTMU-BJLQDIEVSA-N 2 2 381.524 3.298 10 30 GGEELP