smiles stringlengths 1 975 | ID int64 0 23.1M |
|---|---|
Cc1cc(C2CCCCN2C(=O)c2ccnn2C2CCCC2)[nH]n1 | 23,081,546 |
CC(=O)NC1CCCN(S(=O)(=O)CCl)C1 | 23,081,547 |
CC(=O)c1cccc(-c2cc(C)cc(F)c2)c1 | 23,081,548 |
CCc1ncc(NC(=O)C(=O)N2CCc3ccc(F)cc32)cn1 | 23,081,549 |
Cc1cc(C2CCCN2Cc2noc(C(C)(C)C)n2)on1 | 23,081,550 |
CCCCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3c(C)cccc3Cl)n2)ccc1CC | 23,081,551 |
COCCC(N)C(=O)NCc1nccn1C | 23,081,552 |
Cc1ccc(C(=O)N2CCC(CCNS(=O)(=O)c3ccc(Br)cc3)CC2)cc1 | 23,081,553 |
Cc1cccc(C)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 | 23,081,554 |
CCCN1C(=O)C(Nc2ccc(F)cc2)=C(c2ccc(F)cc2)C1=O | 23,081,555 |
Cc1ocnc1CN[C@@H]1CCC[C@H]1O | 23,081,556 |
CC(C)(NC(=O)c1cccc(Br)c1Cl)C(N)=NO | 23,081,557 |
C=CC(=O)N1C[C@@H](CO)[C@H](F)C1 | 23,081,558 |
CC(=O)Nc1cccc(Nc2nccc(Nc3ccccc3Cl)n2)c1 | 23,081,559 |
COc1ccccc1CCC(=O)N1CCC2(CCCCc3ccccc3OC[C@@H](C)NC2=O)CC1 | 23,081,560 |
O=C(Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCN(c2ccccc2)CC1 | 23,081,561 |
CN(Cc1ccc(N)cc1)c1ncc(F)cn1 | 23,081,562 |
COc1cccc(CNC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 | 23,081,563 |
O=C1CCc2cc(S(=O)(=O)Nc3cc(C(=O)O)ccc3F)ccc2N1 | 23,081,564 |
CCOC(=O)C=CCOc1ccc(CO)cc1 | 23,081,565 |
CC(C(=O)NC1CCCCC1CN)n1nnc(-c2ccccc2)n1 | 23,081,566 |
CCCC(=O)Nc1ccc(NC(=O)NC2CCCCC2)cc1 | 23,081,567 |
COCCNC(=O)Cc1ccc2ccccc2n1 | 23,081,568 |
CCN(CC)S(=O)(=O)Nc1ccc(CCBr)cc1 | 23,081,569 |
Cc1ccc(-c2cc(C(=O)NCC(c3ccc(Cl)cc3)N3CCCC3)no2)cc1 | 23,081,570 |
Cc1nc2ncnn2c(C)c1CCC(=O)N1CC(C)OCC1C | 23,081,571 |
CCOc1ccc(OCC(=O)NC2CCN(C(=O)COc3ccccc3OC)CC2)cc1 | 23,081,572 |
O=C(CC1CCCO1)c1ccns1 | 23,081,573 |
CC(C)c1ccc(CNC(=O)Cc2cccc(C(=O)O)c2)cc1 | 23,081,574 |
O=S(=O)(Cl)CC1(F)CCC(F)(F)CC1 | 23,081,575 |
O=S1(=Nc2ccc(OCc3nnc4n3CCCC4)cc2)CCCC1 | 23,081,576 |
CC1CN(c2ccc(C(=O)N3CC(CO)C3)cn2)CC(C)O1 | 23,081,577 |
Cc1cnc(C(=O)N2CCNCC2c2nccn2C)cn1 | 23,081,578 |
Cn1ccnc1CCN1CCN(C2CNC2)CC1 | 23,081,579 |
COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)N4CCC[C@H]4C(N)=O)ccc23)cc1 | 23,081,580 |
CCn1ncnc1CCS(=O)(=O)c1ccccc1 | 23,081,581 |
CC1(C)NCCC1NC(=O)C1CCCN(C(=O)Nc2ccccc2)C1 | 23,081,582 |
COCCn1nnnc1C(C(C)C)N(Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O | 23,081,583 |
Cc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)s1 | 23,081,584 |
COc1ccc(Br)c(/C=C/C(=O)O)c1OC(F)F | 23,081,585 |
Fc1cc(Cl)c(NC2CCCSC2)c(Cl)c1 | 23,081,586 |
CC1(C)C(C(F)(F)F)CCN1C(=O)NC1CCOCC1 | 23,081,587 |
N[C@@H]1CCO[C@H]1C1CCN(C(=O)Nc2cccc(C(F)F)c2)CC1 | 23,081,588 |
COc1ccc(CN2CCN(C(=O)c3conc3C)CC2)cc1F | 23,081,589 |
CC1=C(C)CC(S(=O)(=O)Cl)CC1 | 23,081,590 |
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cccc(C(F)(F)F)c2)c(=O)[nH]c1=O | 23,081,591 |
C=C(CO)C(=O)N1CCCC(C)C1 | 23,081,592 |
CCNC1(C#N)CCCC1S(C)(=O)=O | 23,081,593 |
CN(C)C(=O)CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O | 23,081,594 |
CC(C)(C)OC(=O)CCC(=O)NCC(C)(O)c1ccco1 | 23,081,595 |
NC1CCCN(C(=O)CCCc2ccc3c(c2)CC(=O)N3)C1 | 23,081,596 |
COC(=O)c1ccccc1N(CCNC(=O)C1CCC1)S(C)(=O)=O | 23,081,597 |
CC(C)c1nc(-c2cc(F)ccc2F)c(N)n1C | 23,081,598 |
CCc1cccc(C)c1NC(=O)/C(C#N)=C\Nc1cc(C)ccc1OC | 23,081,599 |
O=C(COC(=O)CSc1ccc2ccccc2c1)Nc1ccccc1[N+](=O)[O-] | 23,081,600 |
COCCOc1c(F)cccc1CCl | 23,081,601 |
COc1ccccc1NS(=O)(=O)c1c(C)sc(C)c1-c1onc(C)c1C | 23,081,602 |
CCCC(CC(=O)OCC)NC(=O)c1cn(Cc2ccc(Cl)cc2)nn1 | 23,081,603 |
CCOC(=O)C1=C(C(=O)c2ccc(Cl)cc2)C(c2ccccc2)n2nnnc2N1 | 23,081,604 |
CCOC(=O)CC(=O)Nc1ccc(C(=O)OC)cc1 | 23,081,605 |
Cc1ncncc1C(C)(C)N=C=O | 23,081,606 |
CN(Cc1ccc(F)cc1F)C(=O)C1CCCc2[nH]nnc21 | 23,081,607 |
CCCC1(CO)CCN(C(=O)NC2CC3CC3C2)C1 | 23,081,608 |
Cc1ccc2c(C(=O)N3CCN(C(=O)CN(C)C)CC3)c[nH]c2c1 | 23,081,609 |
CCOc1ccccc1NC(=O)NC1(c2ccc3c(c2)OCCO3)CC1 | 23,081,610 |
NCCc1cccc(Cl)c1OCC1CCOCC1 | 23,081,611 |
CC(CNCC1CC(O)C1)C(N)=NO | 23,081,612 |
Fc1ccc(F)c(-n2cc(CCBr)nn2)c1 | 23,081,613 |
CCNC(C)Cc1ccc(OCCF)cc1 | 23,081,614 |
CCC(C)c1ccccc1OCC(=O)NN1C(=O)c2ccccc2C1=O | 23,081,615 |
CCN1CCCC1CNc1nc(N)ns1 | 23,081,616 |
COc1ccc(OC)c(Nc2ncc(C(=O)N3CCCCC3)cn2)c1 | 23,081,617 |
CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(Cl)c1 | 23,081,618 |
O=C(O)C1(Cc2ccsc2)CC2CC2C1 | 23,081,619 |
COc1ccc(NCc2cccs2)cc1 | 23,081,620 |
CC(CO)NC(=O)CCc1ccc(N)cc1 | 23,081,621 |
CCC1CCC(NC(=O)c2ccc(OC)c(F)c2)(C(=O)O)CC1 | 23,081,622 |
CN1CCN(CCN=[N+]=[N-])CC1 | 23,081,623 |
COC(=O)C(NC1Cc2ccccc2C1)c1ccccc1 | 23,081,624 |
O=[N+]([O-])C=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 23,081,625 |
CC[C@H](NC(=O)c1cc(C)nc2c1c(C)nn2C)c1ccccn1 | 23,081,626 |
Cc1ccc2sc(CN(C)C)cc2c1 | 23,081,627 |
CC(CO)CNC(=O)[C@@H](C)N | 23,081,628 |
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